#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3niu n TRP 2 N 0.00 0.28 -0.01 1.43 7.02 -1.26 -4.98 117.44 119.92 3niu n TRP 2 Ca 0.00 -1.90 -0.00 0.00 -1.02 0.00 0.00 57.50 54.58 3niu n TRP 2 Cb 0.00 -0.29 -0.00 0.00 -2.42 0.00 0.00 31.31 28.59 3niu n TRP 2 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3niu n GLU 3 N -1.18 0.00 0.01 -0.99 4.07 -1.26 -4.83 120.64 116.47 3niu n GLU 3 Ca -0.11 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.10 3niu n GLU 3 Cb 0.50 -0.01 -0.03 0.00 -0.06 0.00 0.00 31.44 31.84 3niu n GLU 3 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3niu n VAL 4 N 0.05 0.10 -1.43 6.31 0.24 -1.26 -4.21 118.33 118.13 3niu n VAL 4 Ca 0.00 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.34 61.91 3niu n VAL 4 Cb 0.00 0.36 0.15 0.00 -1.47 0.00 0.00 33.84 32.88 3niu n VAL 4 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3niu n GLY 5 N 1.39 5.13 3.95 7.63 0.00 -1.26 -5.03 105.19 117.00 3niu n GLY 5 Ca 0.02 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 3niu n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niu n GLY 7 N -3.55 0.71 2.59 0.00 0.00 -1.26 -4.84 105.19 98.84 3niu n GLY 7 Ca 0.16 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 3niu n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niu n ALA 8 N -1.00 0.24 -1.49 4.61 0.00 -1.26 -4.40 120.51 117.21 3niu n ALA 8 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.45 3niu n ALA 8 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3niu n ALA 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3niu n PRO 9 N 0.24 3.18 -2.27 0.00 -0.04 -1.26 -5.00 135.00 129.85 3niu n PRO 9 Ca 0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 3niu n PRO 9 Cb 0.71 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.14 3niu n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3niu s VAL 10 N 1.37 4.00 0.39 0.52 1.01 -1.26 -4.92 120.40 121.52 3niu s VAL 10 Ca 0.00 1.20 0.28 0.00 0.00 0.00 0.00 61.98 63.46 3niu s VAL 10 Cb 0.00 -3.84 0.30 0.00 0.00 0.00 0.00 36.38 32.84 3niu s VAL 10 CO 0.00 -0.18 2.07 -0.65 0.00 0.00 0.00 175.10 176.34 3niu h PRO 11 N 9.02 0.00 -3.06 2.72 0.11 -2.04 -3.41 132.00 135.34 3niu h PRO 11 Ca -0.31 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.27 3niu h PRO 11 Cb 1.13 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 3niu h PRO 11 CO 0.98 0.11 -0.77 -0.48 -0.21 0.00 0.00 178.00 177.63 3niu s LEU 12 N -7.15 0.93 -0.28 2.35 0.05 -1.26 -5.05 118.68 108.27 3niu s LEU 12 Ca -0.03 -1.22 -0.00 0.00 0.05 0.00 0.00 54.13 52.94 3niu s LEU 12 Cb 0.13 -0.47 0.14 0.00 -2.05 0.00 0.00 46.19 43.94 3niu s LEU 12 CO 0.58 -0.41 0.34 -0.69 -0.55 0.00 0.00 176.35 175.62 3niu s VAL 13 N 1.98 -0.50 0.11 1.48 1.01 -1.26 -5.16 120.40 118.07 3niu s VAL 13 Ca 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 3niu s VAL 13 Cb -0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3niu s VAL 13 CO -0.28 -0.34 0.35 0.42 0.00 0.00 0.00 175.10 175.25 3niu s THR 14 N 2.44 5.19 -0.05 3.92 -4.23 -1.26 -4.99 115.64 116.66 3niu s THR 14 Ca 0.10 0.07 -0.23 0.00 -1.18 0.00 0.00 61.69 60.45 3niu s THR 14 Cb -0.14 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 3niu s THR 14 CO -0.28 0.12 0.69 0.00 -0.54 0.00 0.00 174.62 174.60 3niu h ASP 16 N 6.49 0.00 0.00 0.00 1.82 -1.97 -3.47 116.42 119.29 3niu h ASP 16 Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 3niu h ASP 16 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 3niu h ASP 16 CO 0.74 0.32 0.00 -0.62 -1.61 0.00 0.00 179.24 178.07 3niu n GLU 17 N -3.22 0.00 -0.01 0.28 1.02 -1.26 -4.08 120.64 113.37 3niu n GLU 17 Ca 0.02 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.18 3niu n GLU 17 Cb 0.63 -2.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.61 3niu n GLU 17 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3niu n GLN 18 N -0.33 0.19 -2.31 3.49 1.13 -1.26 -5.03 117.38 113.25 3niu n GLN 18 Ca 0.00 -0.92 -0.42 0.00 -1.94 0.00 0.00 57.00 53.73 3niu n GLN 18 Cb 0.00 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 3niu n GLN 18 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3niu s SER 19 N -0.46 6.99 -0.01 1.08 0.15 -1.26 -4.93 113.70 115.27 3niu s SER 19 Ca 0.05 2.23 0.04 0.00 0.70 0.00 0.00 55.95 58.97 3niu s SER 19 Cb 0.04 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.89 3niu s SER 19 CO 0.05 -0.49 1.03 -0.81 1.20 0.00 0.00 173.24 174.22 3niu n PRO 20 N 3.21 1.43 -4.39 5.44 -0.04 -1.26 -4.88 135.00 134.52 3niu n PRO 20 Ca 0.07 -0.54 -0.27 0.00 -0.04 0.00 0.00 63.50 62.72 3niu n PRO 20 Cb 0.44 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 3niu n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3niu s TYR 21 N -1.70 2.21 0.64 0.54 4.12 -1.26 -5.09 117.35 116.80 3niu s TYR 21 Ca 0.10 -0.38 -0.15 0.00 0.02 0.00 0.00 57.07 56.65 3niu s TYR 21 Cb 0.06 -1.14 -0.01 0.00 -1.52 0.00 0.00 41.96 39.34 3niu s TYR 21 CO 0.06 0.40 1.10 1.03 0.02 0.00 0.00 175.55 178.16 3niu s ARG 22 N -2.39 2.96 0.32 -0.62 0.52 -1.26 -5.05 118.95 113.42 3niu s ARG 22 Ca 0.16 1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 56.58 3niu s ARG 22 Cb -0.09 -1.97 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 3niu s ARG 22 CO 0.08 -1.12 0.73 0.95 0.02 0.00 0.00 175.30 175.96 3niu s THR 23 N -2.34 4.69 0.14 0.02 -4.23 -1.26 -5.00 115.64 107.66 3niu s THR 23 Ca 0.66 0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 61.94 3niu s THR 23 Cb -0.20 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.03 3niu s THR 23 CO 0.40 -0.19 1.76 0.40 -0.54 0.00 0.00 174.62 176.45 3niu h ILE 24 N 1.95 1.13 0.00 2.99 1.08 -1.93 -2.77 117.51 119.96 3niu h ILE 24 Ca -0.48 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 3niu h ILE 24 Cb 1.17 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 3niu h ILE 24 CO 0.65 0.13 -0.06 0.71 -0.69 0.00 0.00 178.15 178.89 3niu h THR 25 N 0.48 0.19 0.00 -0.27 1.35 -1.88 -3.41 112.91 109.37 3niu h THR 25 Ca 0.13 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3niu h THR 25 Cb 0.02 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3niu h THR 25 CO -0.02 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 3niu n GLY 26 N -0.15 0.62 3.67 5.82 0.00 -1.05 -1.36 105.19 112.74 3niu n GLY 26 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3niu n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3niu s ASP 27 N -2.94 2.85 -0.33 1.61 1.01 -1.26 -4.04 116.67 113.56 3niu s ASP 27 Ca 0.00 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.74 3niu s ASP 27 Cb 0.00 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.78 3niu s ASP 27 CO 0.00 -3.03 0.00 0.00 0.21 0.00 0.00 175.17 172.35 3niu h ASN 29 N 0.00 -0.10 -3.47 0.00 -0.73 -1.77 -3.42 115.58 106.10 3niu h ASN 29 Ca -0.06 -0.50 -0.60 0.00 1.87 0.00 0.00 56.30 57.00 3niu h ASN 29 Cb 0.70 0.02 -0.11 0.00 0.27 0.00 0.00 38.32 39.21 3niu h ASN 29 CO 0.09 0.54 -0.00 0.21 -0.37 0.00 0.00 177.43 177.90 3niu s ASN 30 N -5.68 6.57 0.13 1.15 3.84 -1.26 -4.55 114.94 115.13 3niu s ASN 30 Ca -0.14 0.69 -0.06 0.00 0.21 0.00 0.00 52.86 53.56 3niu s ASN 30 Cb -0.00 -2.30 -0.07 0.00 -0.55 0.00 0.00 41.25 38.32 3niu s ASN 30 CO 0.54 -0.21 1.33 0.03 -2.79 0.00 0.00 177.10 175.99 3niu h ARG 31 N 7.54 0.50 -0.12 0.43 3.08 -1.94 -2.97 114.38 120.90 3niu h ARG 31 Ca -0.33 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.18 3niu h ARG 31 Cb 1.15 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3niu h ARG 31 CO 0.74 1.11 -0.22 -0.09 -1.07 0.00 0.00 179.97 180.44 3niu h ARG 32 N 0.31 0.36 -3.24 0.04 2.43 -1.96 -3.38 114.38 108.93 3niu h ARG 32 Ca -0.07 -0.23 -0.63 0.00 -0.81 0.00 0.00 59.98 58.24 3niu h ARG 32 Cb 1.49 0.03 -0.41 0.00 -0.42 0.00 0.00 29.97 30.65 3niu h ARG 32 CO 0.16 0.82 -0.62 0.45 -1.51 0.00 0.00 179.97 179.27 3niu s SER 33 N -6.25 4.41 0.48 -3.80 0.15 -1.24 -5.00 113.70 102.45 3niu s SER 33 Ca -0.14 -3.28 0.23 0.00 0.70 0.00 0.00 55.95 53.46 3niu s SER 33 Cb 0.05 -1.59 1.27 0.00 -1.71 0.00 0.00 66.02 64.04 3niu s SER 33 CO 0.76 -0.18 1.91 -0.65 1.20 0.00 0.00 173.24 176.28 3niu h PRO 34 N 6.12 0.19 -0.53 5.44 0.11 -1.71 -2.23 132.00 139.38 3niu h PRO 34 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3niu h PRO 34 Cb 0.85 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3niu h PRO 34 CO 0.68 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 3niu n ALA 35 N -2.60 2.42 -2.54 -0.75 0.00 -1.26 -1.67 120.51 114.09 3niu n ALA 35 Ca 0.16 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 3niu n ALA 35 Cb 0.73 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 3niu n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3niu s LEU 36 N -1.04 3.78 0.00 0.00 2.96 -0.84 -2.94 118.68 120.60 3niu s LEU 36 Ca 0.37 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 3niu s LEU 36 Cb 0.19 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.34 3niu s LEU 36 CO 0.25 -1.12 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 3niu n GLY 37 N 4.44 0.62 3.80 7.98 0.00 -1.26 -4.55 105.19 116.22 3niu n GLY 37 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3niu n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niu s ALA 38 N -2.40 2.32 0.66 4.61 0.00 -1.15 -1.62 121.76 124.17 3niu s ALA 38 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 3niu s ALA 38 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3niu s ALA 38 CO 0.00 -1.64 1.02 0.00 0.00 0.00 0.00 175.76 175.14 3niu s ALA 39 N -3.12 3.05 -1.50 0.00 0.00 -0.46 -4.28 121.76 115.45 3niu s ALA 39 Ca 0.60 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3niu s ALA 39 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3niu s ALA 39 CO 0.55 -0.99 0.00 0.09 0.00 0.00 0.00 175.76 175.41 3niu n ASN 40 N -2.83 -4.71 -4.62 0.00 3.02 0.77 -4.85 115.26 102.03 3niu n ASN 40 Ca 0.06 0.29 -0.26 0.00 -0.03 0.00 0.00 54.58 54.64 3niu n ASN 40 Cb 0.57 -3.58 -0.10 0.00 -0.61 0.00 0.00 39.78 36.07 3niu n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3niu s ARG 41 N -3.53 1.99 0.36 3.52 0.52 -1.21 -4.43 118.95 116.18 3niu s ARG 41 Ca 0.00 -1.93 -0.28 0.00 -0.52 0.00 0.00 55.73 53.00 3niu s ARG 41 Cb 0.00 -1.79 -0.11 0.00 0.52 0.00 0.00 34.95 33.58 3niu s ARG 41 CO 0.00 0.04 1.44 0.00 0.02 0.00 0.00 175.30 176.80 3niu s ALA 42 N -2.61 3.56 0.38 2.13 0.00 -1.26 -0.76 121.76 123.19 3niu s ALA 42 Ca 0.35 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.54 3niu s ALA 42 Cb 0.04 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 3niu s ALA 42 CO 0.19 -0.95 1.40 -0.51 0.00 0.00 0.00 175.76 175.88 3niu s LEU 43 N -2.01 4.29 0.49 0.00 1.43 0.56 -4.77 118.68 118.67 3niu s LEU 43 Ca 0.52 2.87 -0.23 0.00 -1.03 0.00 0.00 54.13 56.26 3niu s LEU 43 Cb -0.45 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 41.95 3niu s LEU 43 CO 0.61 -0.84 1.26 0.00 0.23 0.00 0.00 176.35 177.61 3niu s ALA 44 N -1.17 2.93 -0.17 4.21 0.00 -0.71 -4.68 121.76 122.17 3niu s ALA 44 Ca 0.54 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 3niu s ALA 44 Cb -0.43 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 3niu s ALA 44 CO 0.57 -0.99 -0.05 1.03 0.00 0.00 0.00 175.76 176.32 3niu s ARG 45 N -2.75 3.55 0.01 0.00 1.81 -1.26 -0.43 118.95 119.88 3niu s ARG 45 Ca 0.67 -0.57 0.19 0.00 -1.72 0.00 0.00 55.73 54.30 3niu s ARG 45 Cb -0.35 -2.91 -0.19 0.00 -0.45 0.00 0.00 34.95 31.04 3niu s ARG 45 CO 0.42 0.11 0.61 0.91 -0.68 0.00 0.00 175.30 176.67 3niu n TRP 46 N 3.92 0.52 -4.15 -0.53 8.01 -1.26 -4.91 117.44 119.04 3niu n TRP 46 Ca -0.18 0.17 -0.17 0.00 -1.31 0.00 0.00 57.50 56.01 3niu n TRP 46 Cb 0.52 -0.89 -0.12 0.00 -2.01 0.00 0.00 31.31 28.81 3niu n TRP 46 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3niu s LEU 47 N -5.32 2.29 0.40 -0.99 1.43 -1.26 -5.13 118.68 110.10 3niu s LEU 47 Ca -0.05 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.14 3niu s LEU 47 Cb 0.10 -0.43 -0.10 0.00 0.03 0.00 0.00 46.19 45.79 3niu s LEU 47 CO 0.84 -0.12 1.46 -2.84 0.23 0.00 0.00 176.35 175.91 3niu s PRO 48 N -1.86 3.95 0.69 1.29 0.02 -1.26 -4.94 135.00 132.89 3niu s PRO 48 Ca -0.02 2.50 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 3niu s PRO 48 Cb -0.09 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.60 3niu s PRO 48 CO 0.02 -0.64 1.27 0.00 -0.33 0.00 0.00 177.00 177.33 3niu s ALA 49 N -1.15 2.24 -0.27 -1.55 0.00 -1.26 -4.66 121.76 115.10 3niu s ALA 49 Ca 0.56 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.67 3niu s ALA 49 Cb -0.45 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.20 3niu s ALA 49 CO 0.60 -1.78 -0.03 -1.21 0.00 0.00 0.00 175.76 173.34 3niu s GLU 50 N -3.57 1.64 0.24 0.00 2.02 0.82 -4.96 118.70 114.89 3niu s GLU 50 Ca 0.80 -1.29 0.11 0.00 0.02 0.00 0.00 54.97 54.62 3niu s GLU 50 Cb -0.36 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 3niu s GLU 50 CO 0.42 -0.71 -0.18 0.71 0.02 0.00 0.00 175.26 175.52 3niu s TYR 51 N 1.23 2.37 0.19 1.61 2.02 -1.26 -4.29 117.35 119.23 3niu s TYR 51 Ca -0.01 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 3niu s TYR 51 Cb -0.19 -1.09 0.21 0.00 -0.40 0.00 0.00 41.96 40.49 3niu s TYR 51 CO -0.08 0.61 1.73 1.49 -1.57 0.00 0.00 175.55 177.73 3niu h GLU 52 N 2.62 0.29 -0.55 -0.62 4.81 -0.78 -1.46 114.58 118.90 3niu h GLU 52 Ca -0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3niu h GLU 52 Cb 1.24 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3niu h GLU 52 CO 0.55 0.19 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 3niu n ASP 53 N -5.06 4.16 0.00 1.04 5.75 -1.26 -4.96 116.55 116.22 3niu n ASP 53 Ca 0.06 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 3niu n ASP 53 Cb 0.24 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 3niu n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3niu n GLY 54 N 0.85 0.36 1.44 6.12 0.00 -0.55 -4.80 105.19 108.62 3niu n GLY 54 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3niu n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3niu n LEU 55 N 0.00 0.40 0.00 0.99 4.32 -1.26 -4.64 117.00 116.81 3niu n LEU 55 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3niu n LEU 55 Cb 0.16 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3niu n LEU 55 CO 0.00 -0.61 0.00 0.00 -1.22 0.00 0.00 177.39 175.56 3niu n ALA 56 N -3.29 0.05 -2.68 -1.18 0.00 -1.26 0.37 120.51 112.52 3niu n ALA 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3niu n ALA 56 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 3niu n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3niu s VAL 57 N -0.07 4.83 0.68 0.00 1.01 -1.26 -4.98 120.40 120.60 3niu s VAL 57 Ca 0.00 1.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 3niu s VAL 57 Cb 0.00 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 3niu s VAL 57 CO 0.00 0.01 1.06 -2.84 0.00 0.00 0.00 175.10 173.32 3niu s PRO 58 N 2.12 3.05 -0.05 2.72 0.02 -1.26 -0.17 135.00 141.43 3niu s PRO 58 Ca 0.43 0.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 3niu s PRO 58 Cb -0.17 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3niu s PRO 58 CO 0.14 -1.01 1.26 -0.06 -0.33 0.00 0.00 177.00 177.01 3niu s PHE 59 N -2.99 3.07 0.00 6.54 0.40 -1.26 -2.84 117.98 120.89 3niu s PHE 59 Ca 0.58 1.09 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 3niu s PHE 59 Cb -0.14 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 39.90 3niu s PHE 59 CO 0.53 -1.66 0.00 0.41 0.70 0.00 0.00 175.22 175.20 3niu n GLY 60 N 3.46 1.80 0.16 4.36 0.00 -1.26 -4.89 105.19 108.82 3niu n GLY 60 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3niu n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3niu h TRP 61 N 0.00 -0.30 -2.93 1.61 2.91 -1.91 -3.43 115.95 111.89 3niu h TRP 61 Ca 0.00 -0.01 -0.67 0.00 1.13 0.00 0.00 58.89 59.35 3niu h TRP 61 Cb 0.00 0.10 -0.10 0.00 -0.51 0.00 0.00 29.16 28.65 3niu h TRP 61 CO 0.00 -0.11 -0.53 0.99 -1.03 0.00 0.00 178.44 177.76 3niu s THR 62 N -5.69 5.08 0.07 2.65 2.01 -1.26 -5.03 115.64 113.47 3niu s THR 62 Ca -0.15 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.70 3niu s THR 62 Cb 0.04 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 3niu s THR 62 CO 0.63 0.59 1.54 0.06 -0.69 0.00 0.00 174.62 176.76 3niu h GLN 63 N 5.25 0.30 0.00 4.92 3.07 -2.02 -3.29 115.11 123.34 3niu h GLN 63 Ca -0.52 -0.08 -0.10 0.00 0.09 0.00 0.00 58.65 58.04 3niu h GLN 63 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 3niu h GLN 63 CO 0.59 0.46 -0.47 0.07 0.09 0.00 0.00 178.83 179.57 3niu h ARG 64 N 0.09 0.00 -7.15 0.06 0.11 -1.99 -3.45 114.38 102.04 3niu h ARG 64 Ca 0.06 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.63 3niu h ARG 64 Cb 0.31 0.00 0.08 0.00 1.11 0.00 0.00 29.97 31.47 3niu h ARG 64 CO 0.00 0.47 0.40 0.15 0.10 0.00 0.00 179.97 181.09 3niu s LYS 65 N -3.41 3.09 0.36 0.08 -0.14 -1.24 -5.07 119.74 113.40 3niu s LYS 65 Ca 0.01 1.45 0.08 0.00 -1.36 0.00 0.00 55.97 56.15 3niu s LYS 65 Cb 0.10 -1.98 -0.07 0.00 -1.68 0.00 0.00 37.83 34.20 3niu s LYS 65 CO 0.72 -1.03 -0.05 0.95 -0.76 0.00 0.00 175.35 175.17 3niu s THR 66 N -2.13 2.06 -0.28 2.17 -4.23 -1.26 -4.76 115.64 107.22 3niu s THR 66 Ca 0.69 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3niu s THR 66 Cb -0.21 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 70.93 3niu s THR 66 CO 0.35 -0.13 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.64 3niu s ARG 67 N -3.67 2.36 -1.57 3.99 3.52 0.10 -4.71 118.95 118.98 3niu s ARG 67 Ca 0.33 -1.29 -0.05 0.00 -0.13 0.00 0.00 55.73 54.60 3niu s ARG 67 Cb 0.05 -3.03 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3niu s ARG 67 CO 0.17 -0.58 0.56 0.09 -0.81 0.00 0.00 175.30 174.72 3niu n ASN 68 N 4.53 -6.01 0.00 -2.12 3.02 -1.26 -2.32 115.26 111.11 3niu n ASN 68 Ca -0.14 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 3niu n ASN 68 Cb 0.43 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 3niu n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3niu n GLY 69 N -1.47 1.08 3.32 7.41 0.00 -1.26 -5.04 105.19 109.23 3niu n GLY 69 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3niu n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3niu s PHE 70 N -3.00 2.05 0.27 1.61 0.40 -0.98 -4.99 117.98 113.34 3niu s PHE 70 Ca 0.00 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.64 3niu s PHE 70 Cb 0.00 -1.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.28 3niu s PHE 70 CO 0.00 0.21 1.23 1.03 0.70 0.00 0.00 175.22 178.39 3niu s ARG 71 N -1.69 4.47 -0.06 0.44 0.52 -1.26 0.02 118.95 121.39 3niu s ARG 71 Ca 0.10 2.01 -0.29 0.00 -0.52 0.00 0.00 55.73 57.03 3niu s ARG 71 Cb -0.10 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 3niu s ARG 71 CO 0.04 -0.06 0.97 0.14 0.02 0.00 0.00 175.30 176.41 3niu s VAL 72 N -0.75 4.84 0.55 3.52 -7.23 -1.26 -4.91 120.40 115.16 3niu s VAL 72 Ca 0.50 1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 62.46 3niu s VAL 72 Cb -0.36 -4.29 -0.05 0.00 0.56 0.00 0.00 36.38 32.24 3niu s VAL 72 CO 0.44 0.09 1.22 -2.16 -0.31 0.00 0.00 175.10 174.38 3niu s PRO 73 N 1.49 3.19 0.26 4.82 0.04 -1.26 -4.90 135.00 138.63 3niu s PRO 73 Ca 0.49 1.88 -0.31 0.00 0.04 0.00 0.00 61.00 63.10 3niu s PRO 73 Cb -0.19 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 3niu s PRO 73 CO 0.22 -1.04 1.52 1.28 0.04 0.00 0.00 177.00 179.02 3niu n LEU 74 N -1.24 3.75 -0.29 -3.56 4.77 -1.26 -4.89 117.00 114.30 3niu n LEU 74 Ca 0.12 1.14 0.02 0.00 -0.03 0.00 0.00 56.01 57.25 3niu n LEU 74 Cb 0.49 -1.51 0.15 0.00 -2.33 0.00 0.00 43.42 40.21 3niu n LEU 74 CO 0.46 -0.14 1.14 0.00 -1.33 0.00 0.00 177.39 177.53 3niu h ALA 75 N 4.68 1.13 0.00 -1.18 0.00 -1.88 -1.51 119.26 120.50 3niu h ALA 75 Ca -0.46 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3niu h ALA 75 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3niu h ALA 75 CO 0.79 0.13 -0.25 -0.09 0.00 0.00 0.00 179.25 179.83 3niu h ARG 76 N 0.81 0.00 -0.05 0.00 9.65 -1.85 -1.04 114.38 121.91 3niu h ARG 76 Ca 0.38 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 59.01 3niu h ARG 76 Cb 0.29 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.89 3niu h ARG 76 CO -0.22 0.25 -0.94 1.49 2.80 0.00 0.00 179.97 183.35 3niu h GLU 77 N 0.00 0.73 -0.85 0.20 4.81 -1.62 -0.33 114.58 117.52 3niu h GLU 77 Ca -0.00 -0.72 0.06 0.00 -0.13 0.00 0.00 59.36 58.57 3niu h GLU 77 Cb 0.45 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3niu h GLU 77 CO 0.03 1.30 0.52 0.28 -0.73 0.00 0.00 179.01 180.42 3niu h VAL 78 N 0.42 1.04 0.16 0.32 2.07 -1.10 -1.88 116.25 117.28 3niu h VAL 78 Ca -0.10 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3niu h VAL 78 Cb 1.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3niu h VAL 78 CO 0.19 0.17 -0.08 -1.28 0.02 0.00 0.00 177.57 176.60 3niu h SER 79 N 0.95 -0.18 -0.56 0.57 0.87 -1.08 -2.04 113.55 112.09 3niu h SER 79 Ca 0.37 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 3niu h SER 79 Cb 0.17 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3niu h SER 79 CO -0.17 -0.07 0.29 0.78 -0.53 0.00 0.00 176.83 177.13 3niu h ASN 80 N -0.28 0.73 0.50 6.23 2.35 -0.77 -1.68 115.58 122.66 3niu h ASN 80 Ca -0.02 -0.07 -0.29 0.00 -0.55 0.00 0.00 56.30 55.37 3niu h ASN 80 Cb 0.22 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 3niu h ASN 80 CO 0.04 0.62 -1.68 0.11 -1.65 0.00 0.00 177.43 174.86 3niu h LYS 81 N 0.82 0.02 0.00 0.81 1.57 -1.36 -3.41 116.57 115.03 3niu h LYS 81 Ca 0.21 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3niu h LYS 81 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3niu h LYS 81 CO -0.03 0.58 -1.39 -0.89 -0.57 0.00 0.00 179.45 177.15 3niu n ILE 82 N -3.10 0.39 0.05 1.86 2.08 -0.77 -4.84 119.36 115.03 3niu n ILE 82 Ca -0.17 -0.12 -0.02 0.00 0.56 0.00 0.00 62.75 63.00 3niu n ILE 82 Cb 1.04 -1.24 -0.07 0.00 -0.75 0.00 0.00 39.64 38.62 3niu n ILE 82 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3niu h VAL 83 N -0.15 0.87 -3.39 1.39 2.07 -1.36 -3.43 116.25 112.24 3niu h VAL 83 Ca -0.17 -2.43 -0.49 0.00 0.82 0.00 0.00 66.70 64.44 3niu h VAL 83 Cb 1.19 2.35 0.03 0.00 -1.52 0.00 0.00 31.29 33.34 3niu h VAL 83 CO -0.07 0.50 0.05 -0.83 0.02 0.00 0.00 177.57 177.23 3niu s GLY 84 N -4.75 1.48 0.29 2.17 0.00 -0.98 -1.81 107.32 103.73 3niu s GLY 84 Ca -0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.89 3niu s GLY 84 CO 0.80 -0.47 0.71 -2.52 0.00 0.00 0.00 173.10 171.61 3niu s TYR 85 N -2.68 -0.10 -0.07 1.90 -0.85 -1.26 -4.74 117.35 109.55 3niu s TYR 85 Ca 0.47 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.67 3niu s TYR 85 Cb -0.10 0.67 -0.06 0.00 0.38 0.00 0.00 41.96 42.85 3niu s TYR 85 CO 0.43 -1.25 -0.03 1.28 -1.52 0.00 0.00 175.55 174.45 3niu n LEU 86 N -0.46 1.86 -4.49 -3.49 4.77 -1.26 -4.67 117.00 109.25 3niu n LEU 86 Ca -0.04 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 3niu n LEU 86 Cb 0.59 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3niu n LEU 86 CO 0.17 0.45 0.84 -0.62 -1.33 0.00 0.00 177.39 176.90 3niu s ASP 87 N -4.37 6.22 0.00 -1.43 2.15 -1.26 -4.87 116.67 113.12 3niu s ASP 87 Ca -0.08 -0.68 0.26 0.00 0.43 0.00 0.00 52.55 52.49 3niu s ASP 87 Cb 0.02 -2.46 1.51 0.00 -0.30 0.00 0.00 42.92 41.69 3niu s ASP 87 CO 0.20 -1.46 1.90 -0.62 -0.17 0.00 0.00 175.17 175.02 3niu n GLU 88 N 7.99 0.73 -2.39 4.34 -0.58 -1.26 -4.82 120.64 124.66 3niu n GLU 88 Ca -0.01 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3niu n GLU 88 Cb 0.47 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.81 3niu n GLU 88 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3niu s GLU 89 N -2.10 4.34 -0.59 3.49 2.56 -1.26 -3.75 118.70 121.39 3niu s GLU 89 Ca 0.36 1.76 -0.03 0.00 0.00 0.00 0.00 54.97 57.07 3niu s GLU 89 Cb 0.18 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.77 3niu s GLU 89 CO 0.32 -0.46 0.41 0.41 -0.56 0.00 0.00 175.26 175.38 3niu n GLY 90 N 3.43 0.29 0.14 -1.50 0.00 -1.26 -4.96 105.19 101.33 3niu n GLY 90 Ca 0.11 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.85 3niu n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3niu n VAL 91 N -3.61 0.00 -1.77 1.61 0.24 -1.25 -5.04 118.33 108.51 3niu n VAL 91 Ca -0.01 -0.37 -0.33 0.00 -2.04 0.00 0.00 64.34 61.59 3niu n VAL 91 Cb 0.53 1.07 0.04 0.00 -1.47 0.00 0.00 33.84 34.02 3niu n VAL 91 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3niu s LEU 92 N -1.85 3.38 -0.29 1.34 1.43 -1.26 0.89 118.68 122.31 3niu s LEU 92 Ca 0.06 1.94 -0.23 0.00 -1.03 0.00 0.00 54.13 54.87 3niu s LEU 92 Cb 0.07 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 3niu s LEU 92 CO 0.28 -1.56 0.78 -0.62 0.23 0.00 0.00 176.35 175.45 3niu s ASP 93 N -2.73 6.67 0.17 2.29 -1.08 0.23 -4.27 116.67 117.97 3niu s ASP 93 Ca 0.66 0.71 0.22 0.00 -0.52 0.00 0.00 52.55 53.62 3niu s ASP 93 Cb -0.19 -2.40 0.89 0.00 -1.46 0.00 0.00 42.92 39.75 3niu s ASP 93 CO 0.42 -0.58 1.67 0.00 0.52 0.00 0.00 175.17 177.21 3niu n GLN 94 N 6.13 0.14 -0.36 4.34 1.13 -1.26 -3.35 117.38 124.14 3niu n GLN 94 Ca 0.03 0.33 0.03 0.00 -1.94 0.00 0.00 57.00 55.45 3niu n GLN 94 Cb 0.48 -1.75 0.04 0.00 0.11 0.00 0.00 30.24 29.12 3niu n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3niu n ASN 95 N -2.02 0.73 -3.94 1.08 5.15 -1.26 -4.62 115.26 110.37 3niu n ASN 95 Ca 0.03 -2.32 -0.24 0.00 -0.60 0.00 0.00 54.58 51.45 3niu n ASN 95 Cb 0.25 -0.27 -0.17 0.00 -0.53 0.00 0.00 39.78 39.06 3niu n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3niu s ARG 96 N -0.88 1.39 0.82 1.20 1.81 -1.21 -3.19 118.95 118.88 3niu s ARG 96 Ca 0.10 -0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 53.72 3niu s ARG 96 Cb 0.09 -1.31 0.08 0.00 -0.45 0.00 0.00 34.95 33.36 3niu s ARG 96 CO 0.01 -0.11 1.13 -1.54 -0.68 0.00 0.00 175.30 174.12 3niu s SER 97 N 1.12 4.39 0.54 0.23 1.04 -1.13 -2.05 113.70 117.85 3niu s SER 97 Ca -0.07 1.01 0.29 0.00 0.48 0.00 0.00 55.95 57.66 3niu s SER 97 Cb -0.14 -1.64 1.56 0.00 0.10 0.00 0.00 66.02 65.90 3niu s SER 97 CO -0.01 -2.00 2.12 0.25 0.98 0.00 0.00 173.24 174.58 3niu h LEU 98 N -1.11 0.00 -1.35 2.42 5.85 -1.18 -1.81 115.31 118.13 3niu h LEU 98 Ca -0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3niu h LEU 98 Cb 1.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3niu h LEU 98 CO 0.63 0.09 0.34 0.25 -0.34 0.00 0.00 178.44 179.41 3niu h LEU 99 N 0.00 0.69 -0.69 2.25 5.85 -1.82 -1.92 115.31 119.66 3niu h LEU 99 Ca -0.00 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.80 3niu h LEU 99 Cb 0.26 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3niu h LEU 99 CO 0.01 0.54 0.26 0.15 -0.34 0.00 0.00 178.44 179.06 3niu h PHE 100 N 0.79 0.45 -0.16 1.25 3.57 -1.58 0.55 116.94 121.81 3niu h PHE 100 Ca 0.21 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3niu h PHE 100 Cb -0.02 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3niu h PHE 100 CO 0.00 0.08 -0.00 1.98 -2.23 0.00 0.00 178.31 178.14 3niu h MET 101 N 0.43 0.28 -0.51 1.11 4.05 -1.62 -3.21 114.93 115.45 3niu h MET 101 Ca 0.37 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.64 3niu h MET 101 Cb 0.52 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3niu h MET 101 CO -0.37 0.51 0.10 0.37 0.23 0.00 0.00 176.91 177.75 3niu h GLN 102 N 0.02 0.80 0.00 0.39 5.75 -0.15 -1.89 115.11 120.03 3niu h GLN 102 Ca 0.04 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.28 3niu h GLN 102 Cb 0.38 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3niu h GLN 102 CO 0.01 0.74 -0.47 2.35 -2.65 0.00 0.00 178.83 178.81 3niu h TRP 103 N 0.76 0.00 -0.65 3.99 2.91 -0.13 -2.88 115.95 119.96 3niu h TRP 103 Ca 0.17 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 3niu h TRP 103 Cb 0.32 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 3niu h TRP 103 CO 0.02 0.47 0.28 0.78 -1.03 0.00 0.00 178.44 178.96 3niu h GLY 104 N 1.94 1.00 2.00 2.65 0.00 -1.34 -1.51 103.07 107.80 3niu h GLY 104 Ca -0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 3niu h GLY 104 CO 0.06 0.47 -0.74 -1.61 0.00 0.00 0.00 176.54 174.72 3niu h GLN 105 N 0.92 0.00 -0.01 4.80 4.15 -1.37 -2.02 115.11 121.59 3niu h GLN 105 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3niu h GLN 105 Cb 0.14 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3niu h GLN 105 CO -0.02 0.74 -0.00 0.82 -1.93 0.00 0.00 178.83 178.43 3niu h ILE 106 N 0.00 1.28 -0.43 2.39 1.08 -1.28 -1.96 117.51 118.60 3niu h ILE 106 Ca -0.01 -0.84 -0.03 0.00 -0.39 0.00 0.00 64.86 63.59 3niu h ILE 106 Cb 1.35 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 3niu h ILE 106 CO 0.10 0.22 0.15 0.58 -0.69 0.00 0.00 178.15 178.51 3niu h VAL 107 N -0.33 1.21 0.02 1.67 2.07 -1.31 -2.45 116.25 117.12 3niu h VAL 107 Ca 0.00 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3niu h VAL 107 Cb 0.36 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3niu h VAL 107 CO 0.00 0.24 -0.19 -0.78 0.02 0.00 0.00 177.57 176.86 3niu h ASP 108 N 0.55 -0.55 0.16 0.57 3.58 -1.41 -1.64 116.42 117.68 3niu h ASP 108 Ca 0.14 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 3niu h ASP 108 Cb 0.22 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 3niu h ASP 108 CO -0.01 -0.26 -0.01 0.45 -2.88 0.00 0.00 179.24 176.53 3niu h HIS 109 N -0.32 0.00 0.00 0.28 3.86 -1.24 0.33 115.15 118.06 3niu h HIS 109 Ca 0.05 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 3niu h HIS 109 Cb 0.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3niu h HIS 109 CO -0.23 0.01 -0.75 0.22 0.86 0.00 0.00 177.93 178.04 3niu h ASP 110 N 0.00 0.00 0.01 2.45 1.82 -0.83 -3.41 116.42 116.46 3niu h ASP 110 Ca -0.00 0.00 -0.40 0.00 -0.39 0.00 0.00 57.03 56.24 3niu h ASP 110 Cb 0.09 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.04 3niu h ASP 110 CO 0.00 0.43 -2.43 0.18 -1.61 0.00 0.00 179.24 175.80 3niu n LEU 111 N -3.07 2.73 -3.96 2.28 4.77 -0.00 -4.49 117.00 115.26 3niu n LEU 111 Ca -0.01 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 3niu n LEU 111 Cb 0.73 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 3niu n LEU 111 CO 0.41 0.85 -0.36 1.51 -1.33 0.00 0.00 177.39 178.46 3niu s ASP 112 N -6.77 0.20 -0.29 -1.43 -4.77 -0.56 -4.30 116.67 98.76 3niu s ASP 112 Ca -0.35 -0.38 -0.00 0.00 -3.30 0.00 0.00 52.55 48.52 3niu s ASP 112 Cb 0.10 0.07 0.18 0.00 -1.09 0.00 0.00 42.92 42.18 3niu s ASP 112 CO 0.59 -0.22 0.54 0.12 0.70 0.00 0.00 175.17 176.90 3niu s PHE 113 N -1.09 -1.44 -0.44 2.11 5.36 -1.26 -4.59 117.98 116.62 3niu s PHE 113 Ca -0.12 1.33 -0.16 0.00 -0.96 0.00 0.00 56.93 57.02 3niu s PHE 113 Cb -0.08 0.36 0.04 0.00 -0.34 0.00 0.00 43.02 43.01 3niu s PHE 113 CO -0.01 -0.89 0.37 0.00 -1.46 0.00 0.00 175.22 173.24 3niu s ALA 114 N 2.77 3.50 0.46 11.12 0.00 -1.25 -0.46 121.76 137.89 3niu s ALA 114 Ca 0.17 -1.86 -0.21 0.00 0.00 0.00 0.00 51.96 50.06 3niu s ALA 114 Cb -0.14 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 3niu s ALA 114 CO -0.21 -1.62 0.99 -2.14 0.00 0.00 0.00 175.76 172.78 3niu s PRO 115 N 1.77 4.03 0.55 0.00 0.02 -1.26 -4.88 135.00 135.23 3niu s PRO 115 Ca 0.06 1.24 -0.17 0.00 0.02 0.00 0.00 61.00 62.15 3niu s PRO 115 Cb -0.21 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.11 3niu s PRO 115 CO 0.09 -0.22 1.04 -1.21 -0.33 0.00 0.00 177.00 176.37 3niu s GLU 116 N -3.20 3.56 -0.49 5.54 2.02 -1.26 -0.62 118.70 124.26 3niu s GLU 116 Ca 0.64 1.17 -0.15 0.00 0.02 0.00 0.00 54.97 56.65 3niu s GLU 116 Cb -0.13 -2.07 0.09 0.00 0.10 0.00 0.00 34.13 32.12 3niu s GLU 116 CO 0.16 -0.61 0.42 0.99 0.02 0.00 0.00 175.26 176.25 3niu s THR 117 N -2.41 5.18 -0.03 3.63 2.01 -0.03 -4.62 115.64 119.37 3niu s THR 117 Ca 0.63 -1.20 0.05 0.00 0.31 0.00 0.00 61.69 61.47 3niu s THR 117 Cb -0.14 -4.16 0.07 0.00 0.01 0.00 0.00 72.50 68.27 3niu s THR 117 CO 0.32 -0.66 1.02 1.21 -0.69 0.00 0.00 174.62 175.82 3niu n GLU 118 N 5.20 2.45 -3.49 4.92 2.13 -1.26 -4.50 120.64 126.09 3niu n GLU 118 Ca -0.13 -1.72 -0.40 0.00 0.66 0.00 0.00 57.16 55.57 3niu n GLU 118 Cb 0.43 -1.10 -0.10 0.00 0.27 0.00 0.00 31.44 30.94 3niu n GLU 118 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3niu s LEU 119 N -1.41 4.39 -0.04 4.31 1.02 -1.26 -4.93 118.68 120.75 3niu s LEU 119 Ca 0.08 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 53.88 3niu s LEU 119 Cb 0.07 -2.22 0.02 0.00 0.02 0.00 0.00 46.19 44.08 3niu s LEU 119 CO 0.01 -0.24 0.24 -0.83 0.02 0.00 0.00 176.35 175.55 3niu s GLY 120 N 1.73 -0.11 0.09 -3.19 0.00 -1.26 -5.10 107.32 99.48 3niu s GLY 120 Ca 0.09 0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.95 3niu s GLY 120 CO 0.11 0.20 1.34 1.76 0.00 0.00 0.00 173.10 176.51 3niu h SER 121 N 4.74 -1.25 -4.28 1.64 0.02 -2.09 -3.38 113.55 108.95 3niu h SER 121 Ca -0.28 0.18 -0.53 0.00 -0.84 0.00 0.00 61.79 60.31 3niu h SER 121 Cb 1.19 0.53 -0.24 0.00 0.14 0.00 0.00 62.40 64.01 3niu h SER 121 CO 0.38 -0.21 -0.82 -0.44 -1.14 0.00 0.00 176.83 174.60 3niu s SER 122 N -4.34 2.21 -0.02 3.07 0.01 -1.26 -5.17 113.70 108.21 3niu s SER 122 Ca -0.08 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 56.60 3niu s SER 122 Cb 0.06 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.14 3niu s SER 122 CO 0.38 0.09 0.07 -0.70 0.41 0.00 0.00 173.24 173.50 3niu s GLU 123 N -1.37 0.13 0.27 12.44 2.12 -1.26 -5.00 118.70 126.03 3niu s GLU 123 Ca 0.05 0.03 0.14 0.00 0.36 0.00 0.00 54.97 55.55 3niu s GLU 123 Cb -0.09 0.06 0.17 0.00 0.26 0.00 0.00 34.13 34.53 3niu s GLU 123 CO 0.02 -0.02 1.49 1.12 -0.54 0.00 0.00 175.26 177.33 3niu h HIS 124 N 5.84 0.00 -0.36 5.30 -0.00 -2.01 -3.38 115.15 120.53 3niu h HIS 124 Ca -0.25 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.99 3niu h HIS 124 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 3niu h HIS 124 CO 0.43 0.57 -0.30 0.77 -0.00 0.00 0.00 177.93 179.40 3niu h SER 125 N 0.00 0.81 -0.91 3.10 0.02 -1.98 -1.79 113.55 112.79 3niu h SER 125 Ca -0.01 -0.33 0.09 0.00 -0.84 0.00 0.00 61.79 60.71 3niu h SER 125 Cb 1.33 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 3niu h SER 125 CO 0.07 1.05 0.56 0.11 -1.14 0.00 0.00 176.83 177.48 3niu h LYS 126 N 0.66 0.93 -0.20 3.45 1.57 -1.92 -1.48 116.57 119.58 3niu h LYS 126 Ca 0.08 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3niu h LYS 126 Cb 0.83 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3niu h LYS 126 CO 0.07 0.61 -0.25 0.28 -0.57 0.00 0.00 179.45 179.59 3niu h VAL 127 N 0.96 1.33 -0.18 0.50 2.07 -1.75 -2.82 116.25 116.36 3niu h VAL 127 Ca 0.43 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3niu h VAL 127 Cb 0.32 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3niu h VAL 127 CO -0.22 0.44 0.07 -0.61 0.02 0.00 0.00 177.57 177.27 3niu h GLN 128 N 0.18 0.24 0.02 1.57 5.75 -0.78 -0.05 115.11 122.06 3niu h GLN 128 Ca 0.02 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3niu h GLN 128 Cb 0.82 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.32 3niu h GLN 128 CO 0.06 0.21 -0.26 0.00 -2.65 0.00 0.00 178.83 176.19 3niu h GLU 130 N -0.64 0.27 0.06 0.00 4.81 -1.24 -2.82 114.58 115.02 3niu h GLU 130 Ca -0.04 -0.33 -0.21 0.00 -0.13 0.00 0.00 59.36 58.65 3niu h GLU 130 Cb 1.10 0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.60 3niu h GLU 130 CO 0.05 1.06 -0.88 0.93 -0.73 0.00 0.00 179.01 179.44 3niu h GLU 131 N -0.38 0.48 -0.01 1.92 4.39 -1.23 -3.39 114.58 116.36 3niu h GLU 131 Ca -0.07 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.03 3niu h GLU 131 Cb 1.25 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 3niu h GLU 131 CO 0.09 1.24 -0.10 0.66 -1.16 0.00 0.00 179.01 179.74 3niu n TYR 132 N -4.04 0.00 -3.95 4.33 4.02 -1.24 -5.00 117.16 111.28 3niu n TYR 132 Ca -0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.48 3niu n TYR 132 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.14 3niu n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3niu s VAL 134 N -3.54 5.03 -0.03 0.00 1.01 -1.12 -4.96 120.40 116.78 3niu s VAL 134 Ca 0.38 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3niu s VAL 134 Cb -0.20 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3niu s VAL 134 CO 0.86 -0.29 1.24 -1.58 0.00 0.00 0.00 175.10 175.33 3niu s GLN 135 N 2.33 4.35 0.00 2.72 0.74 -1.26 -4.54 119.66 124.00 3niu s GLN 135 Ca 0.17 1.74 0.00 0.00 0.05 0.00 0.00 55.36 57.32 3niu s GLN 135 Cb -0.16 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.42 3niu s GLN 135 CO 0.14 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 174.84 3niu n GLY 136 N 3.39 1.55 7.00 2.59 0.00 -0.79 -5.04 105.19 113.89 3niu n GLY 136 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3niu n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3niu n ASP 137 N 0.00 0.00 0.00 1.61 8.00 -1.26 -1.16 116.55 123.74 3niu n ASP 137 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 3niu n ASP 137 Cb 0.00 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 41.60 3niu n ASP 137 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3niu n GLU 138 N 14.00 0.02 -2.70 -1.24 -0.58 -1.26 -4.66 120.64 124.21 3niu n GLU 138 Ca 0.00 0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.41 3niu n GLU 138 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 3niu n GLU 138 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3niu n PHE 140 N 6.68 0.46 -2.28 0.00 7.35 -0.34 -1.89 117.46 127.44 3niu n PHE 140 Ca 0.10 -3.64 -0.35 0.00 -0.76 0.00 0.00 57.45 52.80 3niu n PHE 140 Cb 0.47 -0.05 -0.00 0.00 0.35 0.00 0.00 39.48 40.25 3niu n PHE 140 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3niu s PRO 141 N -0.53 3.39 -0.59 -7.13 0.04 -1.26 -4.23 135.00 124.69 3niu s PRO 141 Ca 0.31 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 3niu s PRO 141 Cb 0.03 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.67 3niu s PRO 141 CO -0.18 -0.81 0.66 0.42 0.04 0.00 0.00 177.00 177.12 3niu s ILE 142 N -1.80 4.94 0.51 0.56 1.01 -0.12 -4.93 121.20 121.36 3niu s ILE 142 Ca 0.72 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 3niu s ILE 142 Cb -0.23 -4.46 -0.06 0.00 0.01 0.00 0.00 42.46 37.72 3niu s ILE 142 CO 0.26 -1.06 1.14 -0.04 0.00 0.00 0.00 174.94 175.24 3niu s MET 143 N 2.35 3.52 -0.03 2.79 -1.94 -1.26 -0.48 119.30 124.25 3niu s MET 143 Ca 0.10 1.67 -0.20 0.00 -1.71 0.00 0.00 55.69 55.55 3niu s MET 143 Cb -0.25 -2.16 -0.05 0.00 2.01 0.00 0.00 34.83 34.38 3niu s MET 143 CO 0.05 -0.73 0.56 -0.06 -0.01 0.00 0.00 175.02 174.83 3niu s PHE 144 N -1.68 3.65 0.99 -0.03 2.99 -0.88 -4.55 117.98 118.46 3niu s PHE 144 Ca 0.69 1.12 -0.15 0.00 0.00 0.00 0.00 56.93 58.59 3niu s PHE 144 Cb -0.26 -2.58 0.19 0.00 0.00 0.00 0.00 43.02 40.38 3niu s PHE 144 CO 0.30 0.33 1.21 -1.25 -0.00 0.00 0.00 175.22 175.80 3niu s PRO 145 N -0.05 0.46 0.39 0.24 0.04 -1.26 -4.98 135.00 129.84 3niu s PRO 145 Ca 0.30 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.97 3niu s PRO 145 Cb -0.17 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 3niu s PRO 145 CO 0.15 -2.59 1.49 1.17 0.04 0.00 0.00 177.00 177.27 3niu n LYS 146 N -3.96 2.66 -1.63 4.56 4.81 -1.26 -3.21 118.16 120.14 3niu n LYS 146 Ca 0.12 0.93 -0.12 0.00 -0.87 0.00 0.00 58.31 58.37 3niu n LYS 146 Cb 0.60 -2.68 -0.04 0.00 0.02 0.00 0.00 35.03 32.93 3niu n LYS 146 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3niu n ASN 147 N 0.37 -4.20 -4.70 3.14 4.13 -1.26 -5.00 115.26 107.74 3niu n ASN 147 Ca 0.01 0.19 -0.41 0.00 1.68 0.00 0.00 54.58 56.05 3niu n ASN 147 Cb 0.39 -2.96 -0.03 0.00 -1.54 0.00 0.00 39.78 35.64 3niu n ASN 147 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3niu s ASP 148 N -2.74 7.22 0.51 6.41 -1.08 -1.20 -4.92 116.67 120.88 3niu s ASP 148 Ca 0.00 1.48 0.28 0.00 -0.52 0.00 0.00 52.55 53.79 3niu s ASP 148 Cb 0.00 -2.52 1.53 0.00 -1.46 0.00 0.00 42.92 40.47 3niu s ASP 148 CO 0.00 -0.27 1.84 -0.65 0.52 0.00 0.00 175.17 176.61 3niu h PRO 149 N 6.89 0.00 -0.00 4.34 0.11 -1.94 -0.84 132.00 140.56 3niu h PRO 149 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3niu h PRO 149 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3niu h PRO 149 CO 0.78 0.00 -0.19 1.63 -0.21 0.00 0.00 178.00 180.01 3niu n LYS 150 N -2.61 0.64 0.00 1.05 5.02 -1.26 -3.23 118.16 117.78 3niu n LYS 150 Ca -0.02 -0.29 -0.05 0.00 -2.02 0.00 0.00 58.31 55.93 3niu n LYS 150 Cb 0.21 -1.49 0.15 0.00 -0.02 0.00 0.00 35.03 33.88 3niu n LYS 150 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3niu h LEU 151 N 0.70 0.54 -0.29 -0.35 3.38 -1.30 -0.65 115.31 117.34 3niu h LEU 151 Ca 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3niu h LEU 151 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3niu h LEU 151 CO 0.00 0.83 -0.24 0.11 0.09 0.00 0.00 178.44 179.23 3niu h LYS 152 N 0.44 0.00 0.00 1.13 1.57 -1.72 -3.35 116.57 114.65 3niu h LYS 152 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3niu h LYS 152 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3niu h LYS 152 CO 0.06 0.24 -1.03 2.41 -0.57 0.00 0.00 179.45 180.57 3niu n THR 153 N -3.20 0.03 0.19 -0.16 -1.04 -1.22 -4.89 114.28 103.98 3niu n THR 153 Ca 0.02 -0.02 0.04 0.00 -2.04 0.00 0.00 64.05 62.06 3niu n THR 153 Cb 0.58 -0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 68.06 3niu n THR 153 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3niu n GLN 154 N -2.03 2.35 0.00 -2.82 6.02 -0.26 -5.11 117.38 115.53 3niu n GLN 154 Ca -0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3niu n GLN 154 Cb 0.51 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3niu n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3niu n GLY 155 N 1.60 0.16 0.00 1.08 0.00 -1.14 -4.75 105.19 102.14 3niu n GLY 155 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.13 3niu n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3niu n LYS 156 N 0.00 1.64 -3.86 1.61 5.02 -1.26 -4.16 118.16 117.15 3niu n LYS 156 Ca 0.00 -0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 3niu n LYS 156 Cb 0.00 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 3niu n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3niu s MET 158 N -3.38 3.57 0.29 0.00 -1.94 0.37 -4.95 119.30 113.26 3niu s MET 158 Ca 0.14 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.28 3niu s MET 158 Cb -0.05 -3.13 -0.13 0.00 2.01 0.00 0.00 34.83 33.53 3niu s MET 158 CO 0.09 -0.09 1.38 -0.35 -0.01 0.00 0.00 175.02 176.03 3niu n PRO 159 N 4.56 2.14 -3.73 2.03 -0.04 -1.26 -0.94 135.00 137.76 3niu n PRO 159 Ca -0.17 0.76 -0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3niu n PRO 159 Cb 0.51 -2.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.46 3niu n PRO 159 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3niu s PHE 160 N -0.49 -0.42 -0.06 0.54 2.19 -1.26 -4.83 117.98 113.64 3niu s PHE 160 Ca 0.62 0.97 0.06 0.00 0.33 0.00 0.00 56.93 58.91 3niu s PHE 160 Cb -0.60 0.14 -0.01 0.00 -1.31 0.00 0.00 43.02 41.24 3niu s PHE 160 CO 0.55 -0.25 -0.25 -0.06 1.83 0.00 0.00 175.22 177.04 3niu s PHE 161 N 1.04 2.46 0.39 10.12 0.40 -1.26 -1.20 117.98 129.93 3niu s PHE 161 Ca -0.07 -0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 55.22 3niu s PHE 161 Cb -0.08 -1.62 -0.09 0.00 0.51 0.00 0.00 43.02 41.75 3niu s PHE 161 CO -0.08 -0.25 1.31 1.03 0.70 0.00 0.00 175.22 177.93 3niu s ARG 162 N -0.09 4.05 0.60 0.44 0.52 -0.20 -4.63 118.95 119.65 3niu s ARG 162 Ca -0.06 2.17 -0.16 0.00 -0.52 0.00 0.00 55.73 57.16 3niu s ARG 162 Cb -0.14 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 3niu s ARG 162 CO 0.04 -0.43 1.09 0.00 0.02 0.00 0.00 175.30 176.02 3niu s ALA 163 N -1.24 2.64 0.66 2.13 0.00 -1.26 -0.85 121.76 123.84 3niu s ALA 163 Ca 0.55 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 3niu s ALA 163 Cb -0.38 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 3niu s ALA 163 CO 0.50 -0.93 1.15 0.20 0.00 0.00 0.00 175.76 176.68 3niu s GLY 164 N -2.48 2.36 0.23 0.00 0.00 0.21 -4.69 107.32 102.95 3niu s GLY 164 Ca 0.67 0.75 0.05 0.00 0.00 0.00 0.00 44.72 46.18 3niu s GLY 164 CO 0.36 1.12 -0.04 -0.11 0.00 0.00 0.00 173.10 174.43 3niu s PHE 165 N -2.05 1.62 0.84 1.90 -0.12 -1.26 -2.09 117.98 116.82 3niu s PHE 165 Ca 0.71 -0.83 -0.12 0.00 -0.05 0.00 0.00 56.93 56.65 3niu s PHE 165 Cb -0.25 -0.91 0.13 0.00 -0.63 0.00 0.00 43.02 41.36 3niu s PHE 165 CO 0.39 0.08 1.19 0.08 -0.05 0.00 0.00 175.22 176.91 3niu s VAL 166 N -3.28 2.06 0.00 -2.49 1.01 -0.74 -4.41 120.40 112.55 3niu s VAL 166 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3niu s VAL 166 Cb 0.04 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3niu s VAL 166 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.18 3niu s PRO 168 N 0.00 3.44 0.44 0.00 0.04 -1.26 -4.36 135.00 133.30 3niu s PRO 168 Ca 0.00 0.78 0.30 0.00 0.04 0.00 0.00 61.00 62.12 3niu s PRO 168 Cb 0.00 -4.08 1.49 0.00 0.04 0.00 0.00 34.50 31.95 3niu s PRO 168 CO 0.00 -1.74 1.92 1.15 0.04 0.00 0.00 177.00 178.37 3niu h THR 169 N 6.46 0.00 0.05 1.26 2.02 -1.78 -3.26 112.91 117.67 3niu h THR 169 Ca -0.27 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 3niu h THR 169 Cb 1.10 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3niu h THR 169 CO 1.12 0.00 -0.03 -0.65 0.37 0.00 0.00 175.52 176.33 3niu h PRO 170 N 0.00 -0.07 0.00 6.66 0.11 -1.90 -3.43 132.00 133.38 3niu h PRO 170 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3niu h PRO 170 Cb 0.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3niu h PRO 170 CO 0.00 0.45 0.00 -0.35 -0.21 0.00 0.00 178.00 177.89 3niu n PRO 171 N -4.77 0.77 -4.12 1.05 -0.05 -1.23 -5.10 135.00 121.56 3niu n PRO 171 Ca -0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 63.50 63.29 3niu n PRO 171 Cb 0.27 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.62 3niu n PRO 171 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 175.50 176.97 3niu s TYR 172 N -1.37 0.75 0.00 0.54 -0.85 -1.26 -4.64 117.35 110.52 3niu s TYR 172 Ca 0.00 -1.16 0.00 0.00 -0.52 0.00 0.00 57.07 55.39 3niu s TYR 172 Cb 0.00 -0.42 0.00 0.00 0.38 0.00 0.00 41.96 41.92 3niu s TYR 172 CO 0.00 -0.51 0.00 0.94 -1.52 0.00 0.00 175.55 174.46 3niu n GLN 173 N -0.07 0.00 -0.86 -3.49 7.27 -1.26 -5.16 117.38 113.81 3niu n GLN 173 Ca -0.07 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.66 3niu n GLN 173 Cb 0.63 0.00 0.10 0.00 2.41 0.00 0.00 30.24 33.38 3niu n GLN 173 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3niu n SER 174 N -0.51 -2.88 0.00 1.69 3.41 -1.26 -4.84 113.62 109.23 3niu n SER 174 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3niu n SER 174 Cb 0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 3niu n SER 174 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3niu n LEU 175 N -0.24 0.00 -4.92 1.04 7.94 -1.26 -4.99 117.00 114.56 3niu n LEU 175 Ca 0.05 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.69 3niu n LEU 175 Cb 0.54 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 3niu n LEU 175 CO 0.51 0.00 0.22 0.00 -1.11 0.00 0.00 177.39 177.01 3niu s ALA 176 N -1.00 3.63 0.09 1.96 0.00 -1.26 -4.78 121.76 120.40 3niu s ALA 176 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 3niu s ALA 176 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.80 3niu s ALA 176 CO 0.00 0.03 1.62 0.50 0.00 0.00 0.00 175.76 177.91 3niu s ARG 177 N -4.09 4.21 -0.12 0.00 3.52 0.16 -4.99 118.95 117.63 3niu s ARG 177 Ca 0.42 2.32 -0.02 0.00 -0.13 0.00 0.00 55.73 58.32 3niu s ARG 177 Cb -0.10 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3niu s ARG 177 CO 0.35 -0.69 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.58 3niu s ASP 178 N 2.09 4.71 0.21 -2.12 1.01 -1.26 -4.93 116.67 116.37 3niu s ASP 178 Ca 0.73 -0.10 -0.08 0.00 0.71 0.00 0.00 52.55 53.81 3niu s ASP 178 Cb -0.40 -1.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.89 3niu s ASP 178 CO 0.32 0.24 0.50 -1.10 0.21 0.00 0.00 175.17 175.33 3niu s GLN 179 N -0.07 3.73 0.37 8.23 1.11 -1.26 -1.78 119.66 129.99 3niu s GLN 179 Ca 0.01 0.15 -0.23 0.00 0.01 0.00 0.00 55.36 55.30 3niu s GLN 179 Cb -0.13 -2.71 -0.10 0.00 -1.01 0.00 0.00 33.01 29.06 3niu s GLN 179 CO 0.03 0.36 0.93 0.42 0.01 0.00 0.00 175.29 177.03 3niu s ILE 180 N -1.79 4.33 -0.27 1.08 1.01 -0.89 -0.33 121.20 124.35 3niu s ILE 180 Ca 0.45 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.67 3niu s ILE 180 Cb -0.11 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.59 3niu s ILE 180 CO 0.23 -0.09 0.00 0.21 0.00 0.00 0.00 174.94 175.29 3niu s ASN 181 N -1.92 4.71 0.00 3.58 2.47 0.06 -3.85 114.94 119.99 3niu s ASN 181 Ca 0.56 -0.88 0.26 0.00 0.42 0.00 0.00 52.86 53.22 3niu s ASN 181 Cb -0.14 -1.75 1.19 0.00 -1.45 0.00 0.00 41.25 39.10 3niu s ASN 181 CO 0.18 -0.17 1.81 0.00 -3.72 0.00 0.00 177.10 175.20 3niu n ALA 182 N 4.74 2.59 -2.46 1.71 0.00 0.39 -0.16 120.51 127.32 3niu n ALA 182 Ca -0.15 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 3niu n ALA 182 Cb 0.47 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 3niu n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3niu s VAL 183 N -1.95 1.51 0.16 0.00 -7.23 -1.26 -4.38 120.40 107.24 3niu s VAL 183 Ca 0.37 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 3niu s VAL 183 Cb 0.19 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.42 3niu s VAL 183 CO 0.31 -0.15 0.98 0.42 -0.31 0.00 0.00 175.10 176.34 3niu s THR 184 N -3.09 4.28 0.33 5.32 -4.23 -1.26 -4.19 115.64 112.80 3niu s THR 184 Ca 0.33 2.01 0.38 0.00 -1.18 0.00 0.00 61.69 63.22 3niu s THR 184 Cb 0.06 -4.28 0.41 0.00 1.34 0.00 0.00 72.50 70.04 3niu s THR 184 CO 0.14 0.36 2.14 0.28 -0.54 0.00 0.00 174.62 177.01 3niu h SER 185 N 5.09 0.00 -4.20 3.99 0.02 -1.49 -3.40 113.55 113.56 3niu h SER 185 Ca -0.44 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.03 3niu h SER 185 Cb 1.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 3niu h SER 185 CO 0.71 0.00 0.38 -0.36 -1.14 0.00 0.00 176.83 176.41 3niu s PHE 186 N -3.87 3.29 -1.18 3.45 0.08 -1.26 -4.80 117.98 113.69 3niu s PHE 186 Ca -0.01 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.35 3niu s PHE 186 Cb 0.11 -2.87 0.13 0.00 -0.57 0.00 0.00 43.02 39.82 3niu s PHE 186 CO 0.48 -0.64 1.48 -1.17 -0.10 0.00 0.00 175.22 175.27 3niu s LEU 187 N -4.24 4.63 -0.08 -0.37 2.96 -1.26 -4.68 118.68 115.64 3niu s LEU 187 Ca 0.60 -2.63 0.11 0.00 -0.22 0.00 0.00 54.13 52.00 3niu s LEU 187 Cb -0.12 -2.46 0.17 0.00 0.50 0.00 0.00 46.19 44.28 3niu s LEU 187 CO 0.34 -0.95 1.06 -0.90 -1.32 0.00 0.00 176.35 174.58 3niu n ASP 188 N 6.69 1.84 -2.67 3.68 5.75 -1.26 -4.70 116.55 125.88 3niu n ASP 188 Ca 0.38 -2.59 -0.19 0.00 -0.01 0.00 0.00 54.79 52.37 3niu n ASP 188 Cb 0.45 -0.28 0.03 0.00 -1.03 0.00 0.00 41.12 40.29 3niu n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3niu n ALA 189 N -0.96 -0.86 0.12 2.12 0.00 -1.26 -4.75 120.51 114.92 3niu n ALA 189 Ca 0.09 0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.90 3niu n ALA 189 Cb 0.55 -3.57 0.60 0.00 0.00 0.00 0.00 19.45 17.03 3niu n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3niu h SER 190 N -1.31 0.12 0.58 0.00 0.02 -1.85 -2.17 113.55 108.94 3niu h SER 190 Ca -0.46 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 3niu h SER 190 Cb 1.32 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 3niu h SER 190 CO 0.49 0.08 -0.16 0.17 -1.14 0.00 0.00 176.83 176.27 3niu h LEU 191 N 0.13 0.00 0.15 5.07 8.10 -1.87 0.19 115.31 127.08 3niu h LEU 191 Ca 0.11 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.74 3niu h LEU 191 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 3niu h LEU 191 CO -0.01 0.16 -1.87 0.58 -4.11 0.00 0.00 178.44 173.18 3niu h VAL 192 N 0.00 0.78 0.00 0.15 2.07 -1.75 -1.52 116.25 115.98 3niu h VAL 192 Ca -0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 3niu h VAL 192 Cb 0.49 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3niu h VAL 192 CO 0.02 0.87 -1.24 -1.22 0.02 0.00 0.00 177.57 176.03 3niu n TYR 193 N -3.52 0.00 0.00 1.57 4.02 -1.03 -3.59 117.16 114.61 3niu n TYR 193 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 3niu n TYR 193 Cb 1.06 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 3niu n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3niu n GLY 194 N 1.45 0.59 0.19 2.72 0.00 0.65 -4.03 105.19 106.75 3niu n GLY 194 Ca 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.29 3niu n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3niu n SER 195 N -0.68 1.77 -4.30 1.61 7.64 -1.26 -4.75 113.62 113.65 3niu n SER 195 Ca 0.00 -1.54 -0.29 0.00 1.01 0.00 0.00 58.87 58.05 3niu n SER 195 Cb 0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 3niu n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3niu s GLU 196 N -0.63 1.85 0.00 1.43 2.02 -1.26 -4.00 118.70 118.11 3niu s GLU 196 Ca 0.06 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3niu s GLU 196 Cb 0.04 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.37 3niu s GLU 196 CO 0.05 0.50 0.25 -2.30 0.02 0.00 0.00 175.26 173.78 3niu n PRO 197 N 2.15 0.21 0.00 0.39 -0.02 -1.26 -1.18 135.00 135.29 3niu n PRO 197 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3niu n PRO 197 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3niu n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3niu n LEU 199 N 1.06 0.00 0.26 2.45 7.94 -1.26 -2.73 117.00 124.73 3niu n LEU 199 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 3niu n LEU 199 Cb 0.11 0.00 0.69 0.00 0.53 0.00 0.00 43.42 44.75 3niu n LEU 199 CO 0.00 0.00 1.06 0.00 -1.11 0.00 0.00 177.39 177.34 3niu h ALA 200 N 0.00 1.85 0.10 1.96 0.00 -1.29 -2.17 119.26 119.72 3niu h ALA 200 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3niu h ALA 200 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3niu h ALA 200 CO 0.00 0.03 -1.18 1.03 0.00 0.00 0.00 179.25 179.13 3niu h SER 201 N 0.00 0.48 0.69 0.00 0.87 -1.77 -3.30 113.55 110.52 3niu h SER 201 Ca -0.00 -0.47 -0.07 0.00 -1.23 0.00 0.00 61.79 60.02 3niu h SER 201 Cb 0.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3niu h SER 201 CO 0.00 1.34 -0.33 0.03 -0.53 0.00 0.00 176.83 177.35 3niu h ARG 202 N 0.12 0.00 0.00 2.24 3.08 -1.70 -2.88 114.38 115.24 3niu h ARG 202 Ca -0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3niu h ARG 202 Cb 1.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.92 3niu h ARG 202 CO 0.20 0.33 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.12 3niu h LEU 203 N 0.00 0.00-10.03 3.04 3.38 -1.60 -3.47 115.31 106.63 3niu h LEU 203 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 3niu h LEU 203 Cb 0.76 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 3niu h LEU 203 CO 0.04 0.24 0.38 -0.13 0.09 0.00 0.00 178.44 179.06 3niu s ARG 204 N -3.10 4.05 -0.94 1.13 0.52 -1.09 0.58 118.95 120.11 3niu s ARG 204 Ca 0.05 1.33 -0.16 0.00 -0.52 0.00 0.00 55.73 56.43 3niu s ARG 204 Cb 0.06 -2.27 0.17 0.00 0.52 0.00 0.00 34.95 33.44 3niu s ARG 204 CO 0.70 -0.21 1.05 1.21 0.02 0.00 0.00 175.30 178.07 3niu s ASN 205 N -1.92 6.77 0.00 0.23 3.84 0.15 -4.22 114.94 119.80 3niu s ASN 205 Ca 0.63 -2.45 0.28 0.00 0.21 0.00 0.00 52.86 51.53 3niu s ASN 205 Cb -0.16 -2.33 1.11 0.00 -0.55 0.00 0.00 41.25 39.32 3niu s ASN 205 CO 0.20 -0.83 1.79 0.18 -2.79 0.00 0.00 177.10 175.65 3niu n LEU 206 N 5.40 0.62 0.25 3.21 4.77 -1.26 -3.91 117.00 126.08 3niu n LEU 206 Ca 0.22 -0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.21 3niu n LEU 206 Cb 0.47 -0.17 0.61 0.00 -2.33 0.00 0.00 43.42 42.01 3niu n LEU 206 CO 0.46 0.12 1.04 0.28 -1.33 0.00 0.00 177.39 177.96 3niu h SER 207 N 0.75 0.01 -3.87 -1.43 0.02 -1.97 -3.43 113.55 103.63 3niu h SER 207 Ca 0.00 -0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3niu h SER 207 Cb 0.40 -0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.75 3niu h SER 207 CO 0.00 0.03 -0.77 -0.94 -1.14 0.00 0.00 176.83 174.01 3niu s SER 208 N -7.05 2.30 -0.31 3.07 1.04 -1.25 -5.05 113.70 106.44 3niu s SER 208 Ca -0.05 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 3niu s SER 208 Cb 0.17 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.25 3niu s SER 208 CO 0.68 -0.09 2.55 -0.81 0.98 0.00 0.00 173.24 176.55 3niu n PRO 209 N 0.49 2.02 0.00 4.02 -0.05 -1.26 -4.29 135.00 135.93 3niu n PRO 209 Ca -0.15 -1.71 0.06 0.00 -0.05 0.00 0.00 63.50 61.65 3niu n PRO 209 Cb 0.57 -1.84 0.01 0.00 -0.05 0.00 0.00 33.50 32.19 3niu n PRO 209 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3niu n LEU 210 N 0.93 1.49 -0.35 1.53 4.77 -1.26 -3.19 117.00 120.91 3niu n LEU 210 Ca 0.38 -0.83 -0.05 0.00 -0.03 0.00 0.00 56.01 55.47 3niu n LEU 210 Cb 0.61 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3niu n LEU 210 CO 0.30 0.29 -0.04 0.61 -1.33 0.00 0.00 177.39 177.21 3niu n GLY 211 N 0.85 0.73 3.88 -0.72 0.00 -1.25 -4.73 105.19 103.95 3niu n GLY 211 Ca 0.05 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3niu n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3niu s LEU 212 N -1.05 3.28 0.20 0.99 1.43 -1.26 -3.88 118.68 118.38 3niu s LEU 212 Ca 0.00 1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 54.27 3niu s LEU 212 Cb 0.00 -4.25 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 3niu s LEU 212 CO 0.00 -0.87 0.50 -0.04 0.23 0.00 0.00 176.35 176.17 3niu s MET 213 N -5.10 3.76 0.40 1.70 -1.94 -1.26 -0.67 119.30 116.18 3niu s MET 213 Ca 0.54 0.18 -0.27 0.00 -1.71 0.00 0.00 55.69 54.43 3niu s MET 213 Cb -0.11 -2.73 -0.10 0.00 2.01 0.00 0.00 34.83 33.91 3niu s MET 213 CO 0.51 0.37 1.39 0.00 -0.01 0.00 0.00 175.02 177.29 3niu s ALA 214 N -1.74 3.39 0.32 3.03 0.00 0.20 -4.45 121.76 122.50 3niu s ALA 214 Ca 0.45 1.40 0.06 0.00 0.00 0.00 0.00 51.96 53.87 3niu s ALA 214 Cb -0.12 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 3niu s ALA 214 CO 0.22 -0.96 -0.01 0.14 0.00 0.00 0.00 175.76 175.14 3niu s VAL 215 N -1.18 1.58 0.24 0.00 -7.23 -1.26 -4.41 120.40 108.14 3niu s VAL 215 Ca 0.55 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 3niu s VAL 215 Cb -0.42 -2.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.75 3niu s VAL 215 CO 0.56 -0.15 1.43 0.21 -0.31 0.00 0.00 175.10 176.84 3niu s ASN 216 N -3.51 6.67 -0.03 4.85 3.84 -0.20 -4.53 114.94 122.04 3niu s ASN 216 Ca 0.33 2.64 0.21 0.00 0.21 0.00 0.00 52.86 56.25 3niu s ASN 216 Cb 0.06 -2.62 -0.32 0.00 -0.55 0.00 0.00 41.25 37.82 3niu s ASN 216 CO 0.14 -0.69 0.51 0.00 -2.79 0.00 0.00 177.10 174.27 3niu n GLN 217 N 2.37 0.60 -0.01 0.43 1.13 -1.26 -4.52 117.38 116.11 3niu n GLN 217 Ca 0.07 -0.18 -0.04 0.00 -1.94 0.00 0.00 57.00 54.91 3niu n GLN 217 Cb 0.40 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.13 3niu n GLN 217 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3niu n GLU 218 N -2.17 0.64 -4.39 -1.09 4.71 -1.26 -4.96 120.64 112.12 3niu n GLU 218 Ca -0.03 0.19 -0.20 0.00 -0.01 0.00 0.00 57.16 57.12 3niu n GLU 218 Cb 0.53 -1.74 -0.14 0.00 -1.01 0.00 0.00 31.44 29.08 3niu n GLU 218 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3niu s ALA 219 N -2.75 1.01 0.23 0.62 0.00 -1.26 -5.16 121.76 114.45 3niu s ALA 219 Ca -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3niu s ALA 219 Cb 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3niu s ALA 219 CO 0.82 0.21 0.05 -1.58 0.00 0.00 0.00 175.76 175.26 3niu s TRP 220 N -0.60 1.47 -0.50 0.00 0.52 -1.26 -4.59 118.94 113.98 3niu s TRP 220 Ca 0.02 -1.07 0.03 0.00 0.02 0.00 0.00 56.10 55.11 3niu s TRP 220 Cb -0.06 -0.86 0.15 0.00 -1.15 0.00 0.00 33.47 31.55 3niu s TRP 220 CO 0.00 -0.22 0.33 0.34 0.02 0.00 0.00 176.95 177.43 3niu s ASP 221 N -3.28 3.28 -1.61 2.95 -1.08 -0.11 -4.84 116.67 111.98 3niu s ASP 221 Ca 0.32 -3.06 -0.13 0.00 -0.52 0.00 0.00 52.55 49.15 3niu s ASP 221 Cb 0.07 -0.99 0.11 0.00 -1.46 0.00 0.00 42.92 40.65 3niu s ASP 221 CO 0.10 -0.19 0.70 1.41 0.52 0.00 0.00 175.17 177.70 3niu n HIS 222 N 2.94 -1.76 -0.73 -5.34 8.25 -1.26 -0.20 115.22 117.13 3niu n HIS 222 Ca 0.18 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 3niu n HIS 222 Cb 0.39 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.26 3niu n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3niu n GLY 223 N -1.60 0.77 3.78 -1.41 0.00 -1.26 -5.05 105.19 100.42 3niu n GLY 223 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3niu n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3niu s LEU 224 N 0.00 3.41 0.24 0.99 1.43 0.72 -5.12 118.68 120.35 3niu s LEU 224 Ca 0.00 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3niu s LEU 224 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3niu s LEU 224 CO 0.00 -0.31 0.44 0.00 0.23 0.00 0.00 176.35 176.71 3niu s ALA 225 N -2.37 3.78 0.20 4.21 0.00 -1.26 -0.94 121.76 125.38 3niu s ALA 225 Ca 0.39 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.62 3niu s ALA 225 Cb -0.04 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 3niu s ALA 225 CO 0.24 0.31 -0.21 0.71 0.00 0.00 0.00 175.76 176.81 3niu s TYR 226 N -1.99 2.37 0.61 0.00 4.12 -1.26 -4.86 117.35 116.34 3niu s TYR 226 Ca 0.39 -0.33 -0.19 0.00 0.02 0.00 0.00 57.07 56.96 3niu s TYR 226 Cb -0.11 -1.16 -0.02 0.00 -1.52 0.00 0.00 41.96 39.15 3niu s TYR 226 CO 0.30 0.52 1.28 -1.25 0.02 0.00 0.00 175.55 176.43 3niu s PRO 227 N -2.78 2.76 0.75 -1.71 0.04 -1.26 -1.03 135.00 131.77 3niu s PRO 227 Ca 0.22 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 3niu s PRO 227 Cb -0.08 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.57 3niu s PRO 227 CO 0.11 -1.43 1.23 -1.25 0.04 0.00 0.00 177.00 175.71 3niu s PRO 228 N -3.27 1.98 0.29 0.56 0.04 -1.26 -4.19 135.00 129.15 3niu s PRO 228 Ca 0.79 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.40 3niu s PRO 228 Cb -0.36 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3niu s PRO 228 CO 0.39 -1.98 1.23 -0.06 0.04 0.00 0.00 177.00 176.62 3niu s PHE 229 N -1.89 3.29 -0.40 0.56 0.08 -1.26 -0.27 117.98 118.08 3niu s PHE 229 Ca 0.76 1.50 -0.27 0.00 0.12 0.00 0.00 56.93 59.04 3niu s PHE 229 Cb -0.31 -3.51 0.02 0.00 -0.57 0.00 0.00 43.02 38.64 3niu s PHE 229 CO 0.46 -1.35 1.01 1.21 -0.10 0.00 0.00 175.22 176.45 3niu s ASN 230 N -0.51 6.68 -0.29 1.36 2.47 0.93 -4.70 114.94 120.89 3niu s ASN 230 Ca 0.48 0.56 0.09 0.00 0.42 0.00 0.00 52.86 54.42 3niu s ASN 230 Cb -0.36 -2.50 0.71 0.00 -1.45 0.00 0.00 41.25 37.65 3niu s ASN 230 CO 0.46 -0.99 1.72 0.59 -3.72 0.00 0.00 177.10 175.17 3niu n ASN 231 N 7.12 4.75 -4.68 -4.21 3.02 -1.26 -4.39 115.26 115.61 3niu n ASN 231 Ca 0.09 -3.09 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 3niu n ASN 231 Cb 0.48 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3niu n ASN 231 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3niu s VAL 232 N -2.78 4.82 -0.11 2.41 1.01 -1.26 -5.06 120.40 119.44 3niu s VAL 232 Ca 0.51 1.90 -0.04 0.00 0.00 0.00 0.00 61.98 64.35 3niu s VAL 232 Cb 0.41 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3niu s VAL 232 CO 0.13 0.02 0.03 -0.54 0.00 0.00 0.00 175.10 174.74 3niu s LYS 233 N 1.99 3.29 0.41 2.72 1.02 -1.26 -3.79 119.74 124.12 3niu s LYS 233 Ca 0.45 -0.36 -0.19 0.00 0.02 0.00 0.00 55.97 55.88 3niu s LYS 233 Cb -0.18 -2.94 -0.10 0.00 -0.52 0.00 0.00 37.83 34.09 3niu s LYS 233 CO 0.16 0.60 0.90 -1.25 -0.92 0.00 0.00 175.35 174.84 3niu s PRO 234 N -0.57 4.15 -0.17 -1.68 0.04 -1.26 -5.18 135.00 130.33 3niu s PRO 234 Ca 0.10 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 3niu s PRO 234 Cb -0.12 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3niu s PRO 234 CO 0.02 0.01 -0.04 0.45 0.04 0.00 0.00 177.00 177.48 3niu s SER 235 N -2.26 4.67 0.39 6.66 0.15 -1.25 -5.00 113.70 117.06 3niu s SER 235 Ca 0.60 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 57.14 3niu s SER 235 Cb -0.09 -1.77 0.79 0.00 -1.71 0.00 0.00 66.02 63.23 3niu s SER 235 CO 0.15 0.12 1.94 -0.65 1.20 0.00 0.00 173.24 176.01 3niu h PRO 236 N 7.03 0.32 0.00 5.44 0.11 -1.91 -2.53 132.00 140.46 3niu h PRO 236 Ca -0.33 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 3niu h PRO 236 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3niu h PRO 236 CO 0.61 0.39 -0.68 0.00 -0.21 0.00 0.00 178.00 178.11 3niu h GLU 238 N 0.00 0.30 -0.50 0.00 5.08 -1.56 -3.35 114.58 114.55 3niu h GLU 238 Ca -0.01 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3niu h GLU 238 Cb 1.28 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 3niu h GLU 238 CO 0.09 1.08 0.27 0.35 -1.00 0.00 0.00 179.01 179.80 3niu h PHE 239 N 0.15 0.50 0.00 4.33 3.57 -1.33 -2.78 116.94 121.37 3niu h PHE 239 Ca -0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3niu h PHE 239 Cb 1.65 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.24 3niu h PHE 239 CO 0.05 0.26 -0.05 -0.84 -2.23 0.00 0.00 178.31 175.50 3niu h ILE 240 N 0.53 0.37 -1.83 1.41 3.07 -1.69 -3.34 117.51 116.03 3niu h ILE 240 Ca 0.22 -0.26 -0.29 0.00 1.55 0.00 0.00 64.86 66.08 3niu h ILE 240 Cb 0.10 1.18 -0.30 0.00 -0.27 0.00 0.00 36.82 37.53 3niu h ILE 240 CO -0.13 0.05 -0.62 0.21 -1.05 0.00 0.00 178.15 176.61 3niu s ASN 241 N -5.88 0.80 0.49 2.16 3.84 -1.07 -5.02 114.94 110.27 3niu s ASN 241 Ca -0.04 -1.05 0.28 0.00 0.21 0.00 0.00 52.86 52.26 3niu s ASN 241 Cb 0.13 0.82 1.17 0.00 -0.55 0.00 0.00 41.25 42.83 3niu s ASN 241 CO 0.53 -0.30 1.92 0.74 -2.79 0.00 0.00 177.10 177.21 3niu h THR 242 N 5.55 0.38 -0.47 -5.21 2.02 -1.64 -2.88 112.91 110.66 3niu h THR 242 Ca -0.02 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 3niu h THR 242 Cb 1.09 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3niu h THR 242 CO 0.23 0.14 -0.12 0.74 0.37 0.00 0.00 175.52 176.88 3niu h THR 243 N 0.00 1.27 -0.13 3.16 2.02 -1.95 -3.30 112.91 113.99 3niu h THR 243 Ca -0.00 -1.25 -0.18 0.00 0.77 0.00 0.00 66.41 65.75 3niu h THR 243 Cb 0.60 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3niu h THR 243 CO 0.02 0.43 -0.66 0.00 0.37 0.00 0.00 175.52 175.68 3niu h ALA 244 N 0.88 0.61 -4.18 6.16 0.00 -1.87 -3.47 119.26 117.39 3niu h ALA 244 Ca 0.12 -0.57 -0.38 0.00 0.00 0.00 0.00 54.91 54.08 3niu h ALA 244 Cb 0.67 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.46 3niu h ALA 244 CO 0.05 0.72 -0.57 0.72 0.00 0.00 0.00 179.25 180.17 3niu n HIS 245 N -3.90 -1.83 -3.58 0.00 8.25 -1.21 -4.99 115.22 107.96 3niu n HIS 245 Ca -0.04 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 57.49 3niu n HIS 245 Cb 0.67 -4.29 -0.11 0.00 1.12 0.00 0.00 29.99 27.38 3niu n HIS 245 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3niu s VAL 246 N -3.14 4.55 0.95 1.59 1.01 -1.26 -5.00 120.40 119.10 3niu s VAL 246 Ca 0.28 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 3niu s VAL 246 Cb -0.12 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.83 3niu s VAL 246 CO 0.35 -0.34 1.28 -2.16 0.00 0.00 0.00 175.10 174.23 3niu s PRO 247 N 1.53 0.72 0.56 2.72 0.05 -1.26 -3.51 135.00 135.81 3niu s PRO 247 Ca 0.02 -0.29 -0.17 0.00 0.05 0.00 0.00 61.00 60.61 3niu s PRO 247 Cb -0.21 -1.84 -0.05 0.00 0.05 0.00 0.00 34.50 32.45 3niu s PRO 247 CO 0.06 -2.38 1.07 0.00 0.05 0.00 0.00 177.00 175.80 3niu s PHE 249 N -2.21 2.85 -0.31 0.00 0.08 -1.26 -0.04 117.98 117.08 3niu s PHE 249 Ca 0.66 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 59.21 3niu s PHE 249 Cb -0.18 -3.08 0.05 0.00 -0.57 0.00 0.00 43.02 39.24 3niu s PHE 249 CO 0.31 -1.32 0.04 -1.14 -0.10 0.00 0.00 175.22 173.01 3niu s GLN 250 N -4.02 2.50 0.00 0.44 0.74 0.62 -4.48 119.66 115.47 3niu s GLN 250 Ca 0.65 -1.23 0.00 0.00 0.05 0.00 0.00 55.36 54.83 3niu s GLN 250 Cb -0.18 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.64 3niu s GLN 250 CO 0.37 -0.64 0.00 0.00 -0.55 0.00 0.00 175.29 174.48 3niu n ALA 251 N 4.69 0.00 0.12 1.58 0.00 -1.26 -4.34 120.51 121.30 3niu n ALA 251 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3niu n ALA 251 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 3niu n ALA 251 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3niu h GLY 252 N 0.00 0.00 -5.61 0.00 0.00 -1.34 -3.44 103.07 92.68 3niu h GLY 252 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 3niu h GLY 252 CO 0.00 0.00 -0.56 -0.35 0.00 0.00 0.00 176.54 175.63 3niu s ASP 253 N -6.66 5.75 0.00 0.19 2.15 -0.99 -4.20 116.67 112.92 3niu s ASP 253 Ca 0.01 0.25 0.31 0.00 0.43 0.00 0.00 52.55 53.55 3niu s ASP 253 Cb 0.10 -1.81 1.65 0.00 -0.30 0.00 0.00 42.92 42.57 3niu s ASP 253 CO 0.77 0.34 2.11 -1.54 -0.17 0.00 0.00 175.17 176.68 3niu n SER 254 N 2.41 0.01 -1.10 -0.34 3.41 -1.26 -2.96 113.62 113.79 3niu n SER 254 Ca -0.19 -0.44 0.11 0.00 -0.26 0.00 0.00 58.87 58.09 3niu n SER 254 Cb 0.54 -0.18 0.23 0.00 -0.26 0.00 0.00 64.21 64.53 3niu n SER 254 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3niu n ARG 255 N -1.18 2.50 0.23 4.33 1.74 -1.26 -4.68 116.66 118.34 3niu n ARG 255 Ca 0.18 -2.30 0.15 0.00 -0.77 0.00 0.00 57.85 55.10 3niu n ARG 255 Cb 0.20 -1.48 0.79 0.00 -1.02 0.00 0.00 32.46 30.94 3niu n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3niu h ALA 256 N 3.98 1.05 -0.18 7.54 0.00 -1.88 -0.74 119.26 129.04 3niu h ALA 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3niu h ALA 256 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3niu h ALA 256 CO 0.00 -0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.63 3niu n SER 257 N -2.55 3.38 0.21 0.00 7.64 -1.26 -2.63 113.62 118.41 3niu n SER 257 Ca -0.02 -3.02 0.05 0.00 1.01 0.00 0.00 58.87 56.90 3niu n SER 257 Cb 0.11 -0.50 0.48 0.00 -1.01 0.00 0.00 64.21 63.29 3niu n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3niu h GLU 258 N 1.23 0.00 -3.10 1.43 4.22 -1.49 -2.85 114.58 114.02 3niu h GLU 258 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 3niu h GLU 258 Cb 1.29 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.36 3niu h GLU 258 CO 0.15 0.25 -0.21 1.14 -2.18 0.00 0.00 179.01 178.16 3niu s GLN 259 N -4.36 0.79 0.28 1.92 -2.07 -1.26 -2.23 119.66 112.74 3niu s GLN 259 Ca -0.03 -0.34 0.02 0.00 -1.82 0.00 0.00 55.36 53.19 3niu s GLN 259 Cb 0.15 0.35 0.59 0.00 -1.09 0.00 0.00 33.01 33.00 3niu s GLN 259 CO 0.69 -0.25 1.81 0.97 -1.32 0.00 0.00 175.29 177.19 3niu h ILE 260 N 3.39 0.85 0.00 3.63 2.10 -1.70 -1.71 117.51 124.06 3niu h ILE 260 Ca -0.31 -0.31 -0.08 0.00 1.08 0.00 0.00 64.86 65.25 3niu h ILE 260 Cb 1.19 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 3niu h ILE 260 CO 0.43 0.16 -0.36 -0.07 -1.08 0.00 0.00 178.15 177.23 3niu h LEU 261 N 0.89 0.00 -0.17 2.19 3.38 -1.94 -2.16 115.31 117.51 3niu h LEU 261 Ca 0.51 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.27 3niu h LEU 261 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3niu h LEU 261 CO -0.30 0.36 -0.71 0.25 0.09 0.00 0.00 178.44 178.13 3niu h LEU 262 N 0.00 0.91 -1.39 1.67 5.85 -1.63 -3.00 115.31 117.72 3niu h LEU 262 Ca -0.00 -0.62 -0.06 0.00 0.84 0.00 0.00 57.88 58.04 3niu h LEU 262 Cb 1.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3niu h LEU 262 CO 0.05 1.38 -0.28 0.00 -0.34 0.00 0.00 178.44 179.25 3niu h ALA 263 N 0.56 1.50 -0.35 1.25 0.00 -1.18 -2.45 119.26 118.59 3niu h ALA 263 Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3niu h ALA 263 Cb 1.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3niu h ALA 263 CO 0.15 0.37 0.15 1.15 0.00 0.00 0.00 179.25 181.07 3niu h THR 264 N 0.04 1.17 0.02 0.00 2.02 -1.28 -2.14 112.91 112.74 3niu h THR 264 Ca 0.00 -0.52 -0.20 0.00 0.77 0.00 0.00 66.41 66.46 3niu h THR 264 Cb 0.51 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3niu h THR 264 CO 0.04 0.19 -0.92 0.58 0.37 0.00 0.00 175.52 175.77 3niu h VAL 265 N 0.42 1.54 -0.61 3.16 2.07 -1.45 -2.61 116.25 118.76 3niu h VAL 265 Ca 0.12 -2.79 0.03 0.00 0.82 0.00 0.00 66.70 64.88 3niu h VAL 265 Cb 0.15 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 3niu h VAL 265 CO -0.01 0.81 0.40 0.45 0.02 0.00 0.00 177.57 179.24 3niu h HIS 266 N 0.08 0.69 -0.26 1.57 3.86 -1.39 -1.84 115.15 117.86 3niu h HIS 266 Ca -0.04 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 3niu h HIS 266 Cb 1.58 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.82 3niu h HIS 266 CO 0.03 0.40 -0.45 1.15 0.86 0.00 0.00 177.93 179.92 3niu h THR 267 N 0.72 1.30 -0.50 2.45 2.02 -1.24 -2.15 112.91 115.51 3niu h THR 267 Ca 0.24 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 3niu h THR 267 Cb 0.08 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3niu h THR 267 CO -0.07 0.53 0.29 -0.07 0.37 0.00 0.00 175.52 176.57 3niu h LEU 268 N 0.50 0.61 -0.47 2.58 3.38 -1.12 -0.91 115.31 119.87 3niu h LEU 268 Ca 0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3niu h LEU 268 Cb 1.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3niu h LEU 268 CO 0.10 0.51 -0.03 -0.07 0.09 0.00 0.00 178.44 179.04 3niu h LEU 269 N 0.66 0.84 -0.96 1.67 3.38 -1.39 -0.73 115.31 118.78 3niu h LEU 269 Ca 0.18 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3niu h LEU 269 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3niu h LEU 269 CO -0.03 0.96 0.45 0.25 0.09 0.00 0.00 178.44 180.16 3niu h LEU 270 N 0.70 1.07 -0.39 1.67 5.85 -1.27 -2.31 115.31 120.62 3niu h LEU 270 Ca 0.13 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3niu h LEU 270 Cb 0.55 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3niu h LEU 270 CO 0.03 0.87 0.04 0.03 -0.34 0.00 0.00 178.44 179.06 3niu h ARG 271 N 1.19 0.67 -0.91 1.25 3.08 -0.95 -3.16 114.38 115.55 3niu h ARG 271 Ca 0.30 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3niu h ARG 271 Cb 0.05 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3niu h ARG 271 CO -0.05 0.74 0.60 1.49 -1.07 0.00 0.00 179.97 181.68 3niu h GLU 272 N 0.51 1.17 0.21 0.04 4.57 -0.91 -1.15 114.58 119.02 3niu h GLU 272 Ca 0.12 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3niu h GLU 272 Cb 0.41 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3niu h GLU 272 CO 0.01 0.77 -0.28 1.25 -1.18 0.00 0.00 179.01 179.58 3niu h HIS 273 N 1.20 -0.76 -0.82 0.92 2.76 -1.39 0.39 115.15 117.45 3niu h HIS 273 Ca 0.34 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.52 3niu h HIS 273 Cb -0.09 0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 3niu h HIS 273 CO -0.00 -0.40 0.49 -0.91 -1.30 0.00 0.00 177.93 175.81 3niu h ASN 274 N -0.55 0.99 -0.79 3.26 2.35 -1.51 -0.04 115.58 119.29 3niu h ASN 274 Ca 0.01 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3niu h ASN 274 Cb 0.54 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3niu h ASN 274 CO -0.11 0.76 0.38 -0.09 -1.65 0.00 0.00 177.43 176.73 3niu h ARG 275 N 1.13 1.15 -0.19 0.81 2.43 -0.91 -0.84 114.38 117.96 3niu h ARG 275 Ca 0.29 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3niu h ARG 275 Cb -0.04 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3niu h ARG 275 CO -0.05 0.88 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.08 3niu h LEU 276 N 1.14 0.45 -0.48 3.80 3.38 -0.48 -2.81 115.31 120.31 3niu h LEU 276 Ca 0.27 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3niu h LEU 276 Cb 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3niu h LEU 276 CO -0.03 0.80 0.27 0.00 0.09 0.00 0.00 178.44 179.57 3niu h ALA 277 N 0.67 0.61 -0.09 1.53 0.00 -0.79 0.54 119.26 121.73 3niu h ALA 277 Ca 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3niu h ALA 277 Cb 0.65 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3niu h ALA 277 CO 0.04 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 179.09 3niu h ARG 278 N 0.63 0.16 -0.29 0.00 3.08 -1.24 -0.41 114.38 116.32 3niu h ARG 278 Ca 0.17 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 3niu h ARG 278 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3niu h ARG 278 CO -0.03 0.47 -0.34 0.93 -1.07 0.00 0.00 179.97 179.94 3niu h GLU 279 N 0.15 0.75 0.00 0.04 4.39 -1.19 -2.92 114.58 115.80 3niu h GLU 279 Ca 0.02 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 3niu h GLU 279 Cb 0.64 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3niu h GLU 279 CO 0.05 1.04 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.70 3niu h LEU 280 N 0.50 0.00 -0.15 1.33 3.38 -0.45 -2.48 115.31 117.44 3niu h LEU 280 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3niu h LEU 280 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 3niu h LEU 280 CO 0.08 0.16 -0.62 0.50 0.09 0.00 0.00 178.44 178.65 3niu h LYS 281 N 0.00 0.68 -0.23 1.13 1.63 -1.06 -1.01 116.57 117.70 3niu h LYS 281 Ca -0.00 -0.54 0.01 0.00 -0.85 0.00 0.00 60.65 59.27 3niu h LYS 281 Cb 0.61 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 3niu h LYS 281 CO 0.02 1.15 0.14 0.00 -3.45 0.00 0.00 179.45 177.31 3niu h ARG 282 N 0.36 0.28 -0.08 1.90 3.08 -1.30 -2.86 114.38 115.76 3niu h ARG 282 Ca -0.04 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3niu h ARG 282 Cb 1.26 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3niu h ARG 282 CO 0.13 0.18 -0.64 -0.07 -1.07 0.00 0.00 179.97 178.51 3niu h LEU 283 N 0.29 0.37 -6.86 3.04 3.38 -1.50 -3.38 115.31 110.64 3niu h LEU 283 Ca 0.09 -0.22 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 3niu h LEU 283 Cb -0.01 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 40.23 3niu h LEU 283 CO -0.04 0.91 -0.75 0.20 0.09 0.00 0.00 178.44 178.85 3niu s ASN 284 N -6.92 3.43 0.48 -0.43 0.01 -0.38 -4.74 114.94 106.40 3niu s ASN 284 Ca -0.05 -3.15 0.27 0.00 -0.71 0.00 0.00 52.86 49.22 3niu s ASN 284 Cb 0.11 -1.08 1.16 0.00 0.41 0.00 0.00 41.25 41.85 3niu s ASN 284 CO 0.81 -0.18 1.92 -0.65 -1.51 0.00 0.00 177.10 177.50 3niu h PRO 285 N 5.99 0.00 -0.00 -0.60 0.11 -1.70 -2.79 132.00 133.01 3niu h PRO 285 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3niu h PRO 285 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3niu h PRO 285 CO 0.53 0.16 -0.17 -2.39 -0.21 0.00 0.00 178.00 175.93 3niu n HIS 286 N -3.41 0.00 -2.25 0.65 1.44 -1.26 -4.88 115.22 105.51 3niu n HIS 286 Ca -0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3niu n HIS 286 Cb 0.35 -0.37 -0.03 0.00 0.12 0.00 0.00 29.99 30.06 3niu n HIS 286 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3niu s TRP 287 N -2.92 3.29 0.90 -1.40 0.52 -1.05 -5.03 118.94 113.25 3niu s TRP 287 Ca 0.16 1.06 -0.13 0.00 0.02 0.00 0.00 56.10 57.20 3niu s TRP 287 Cb 0.19 -3.60 0.14 0.00 -1.15 0.00 0.00 33.47 29.05 3niu s TRP 287 CO 0.57 -2.03 1.18 0.16 0.02 0.00 0.00 176.95 176.85 3niu s ASP 288 N 1.12 3.61 0.25 2.95 -4.77 -1.26 -4.87 116.67 113.70 3niu s ASP 288 Ca 0.63 0.79 -0.04 0.00 -3.30 0.00 0.00 52.55 50.63 3niu s ASP 288 Cb -0.34 -1.24 0.37 0.00 -1.09 0.00 0.00 42.92 40.62 3niu s ASP 288 CO 0.30 -2.47 1.86 1.23 0.70 0.00 0.00 175.17 176.79 3niu h GLY 289 N -1.45 1.41 0.98 2.12 0.00 -1.91 -2.63 103.07 101.60 3niu h GLY 289 Ca -0.48 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 3niu h GLY 289 CO 0.58 0.29 0.25 -2.09 0.00 0.00 0.00 176.54 175.58 3niu h GLU 290 N 1.06 0.81 -0.38 4.80 4.57 -1.93 -1.34 114.58 122.16 3niu h GLU 290 Ca 0.40 -0.13 -0.13 0.00 -1.18 0.00 0.00 59.36 58.33 3niu h GLU 290 Cb 0.18 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3niu h GLU 290 CO -0.18 0.68 -0.27 1.98 -1.18 0.00 0.00 179.01 180.04 3niu h MET 291 N 0.75 0.80 -0.51 1.92 4.05 -1.89 -0.94 114.93 119.11 3niu h MET 291 Ca 0.19 -0.35 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 3niu h MET 291 Cb 0.15 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3niu h MET 291 CO -0.02 0.98 0.31 -0.07 0.23 0.00 0.00 176.91 178.34 3niu h LEU 292 N 0.69 0.62 0.97 3.39 3.38 -1.25 0.79 115.31 123.91 3niu h LEU 292 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3niu h LEU 292 Cb 0.80 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.41 3niu h LEU 292 CO 0.07 0.49 -0.47 0.22 0.09 0.00 0.00 178.44 178.84 3niu h TYR 293 N 0.69 -1.21 -0.70 1.13 3.20 -1.13 -2.66 116.97 116.28 3niu h TYR 293 Ca 0.18 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3niu h TYR 293 Cb -0.01 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 3niu h TYR 293 CO -0.03 -0.75 0.44 1.96 -1.64 0.00 0.00 178.16 178.14 3niu h GLN 294 N -1.33 0.83 -0.46 1.82 1.08 -1.09 0.77 115.11 116.74 3niu h GLN 294 Ca -0.13 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 56.91 3niu h GLN 294 Cb 1.00 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 3niu h GLN 294 CO 0.22 0.55 -0.13 0.93 -0.95 0.00 0.00 178.83 179.46 3niu h GLU 295 N 0.86 0.84 -0.23 1.46 4.39 -0.91 -0.61 114.58 120.38 3niu h GLU 295 Ca 0.28 -0.30 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 3niu h GLU 295 Cb 0.02 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3niu h GLU 295 CO -0.11 0.92 -0.36 0.00 -1.16 0.00 0.00 179.01 178.31 3niu h ALA 296 N 1.10 0.36 -0.98 3.43 0.00 -1.18 -2.63 119.26 119.35 3niu h ALA 296 Ca 0.12 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.69 3niu h ALA 296 Cb 0.63 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3niu h ALA 296 CO 0.04 0.43 0.63 -0.09 0.00 0.00 0.00 179.25 180.26 3niu h ARG 297 N 0.36 1.02 -0.30 0.00 2.43 -0.66 -1.30 114.38 115.93 3niu h ARG 297 Ca 0.02 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3niu h ARG 297 Cb 0.95 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3niu h ARG 297 CO 0.08 0.68 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.89 3niu h LYS 298 N 1.05 0.61 -0.23 0.20 3.64 -1.07 -1.90 116.57 118.87 3niu h LYS 298 Ca 0.45 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3niu h LYS 298 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3niu h LYS 298 CO -0.21 0.82 0.12 0.82 -2.27 0.00 0.00 179.45 178.73 3niu h ILE 299 N 0.37 1.13 -0.34 2.00 2.04 -1.05 -2.29 117.51 119.36 3niu h ILE 299 Ca 0.07 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3niu h ILE 299 Cb 0.62 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3niu h ILE 299 CO 0.04 0.13 -0.11 0.25 0.00 0.00 0.00 178.15 178.46 3niu h LEU 300 N 0.25 0.57 -0.67 1.44 5.85 -1.28 -0.61 115.31 120.87 3niu h LEU 300 Ca 0.08 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3niu h LEU 300 Cb 0.10 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3niu h LEU 300 CO -0.01 0.72 0.41 1.23 -0.34 0.00 0.00 178.44 180.44 3niu h GLY 301 N 0.95 0.97 1.00 3.75 0.00 -1.23 -2.11 103.07 106.40 3niu h GLY 301 Ca 0.10 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3niu h GLY 301 CO 0.03 0.39 -0.03 0.00 0.00 0.00 0.00 176.54 176.92 3niu h ALA 302 N 1.21 0.63 -0.40 3.60 0.00 -0.98 -2.75 119.26 120.57 3niu h ALA 302 Ca 0.24 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3niu h ALA 302 Cb -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.50 3niu h ALA 302 CO -0.05 0.46 -0.28 0.35 0.00 0.00 0.00 179.25 179.74 3niu h PHE 303 N 0.69 -0.75 -0.42 0.00 3.57 -0.89 0.17 116.94 119.32 3niu h PHE 303 Ca 0.13 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3niu h PHE 303 Cb 0.55 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3niu h PHE 303 CO 0.04 -0.35 0.23 0.82 -2.23 0.00 0.00 178.31 176.83 3niu h ILE 304 N -0.21 1.13 -0.14 1.41 2.04 -1.30 -1.51 117.51 118.93 3niu h ILE 304 Ca 0.18 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3niu h ILE 304 Cb 0.50 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3niu h ILE 304 CO -0.52 0.15 -0.26 1.56 0.00 0.00 0.00 178.15 179.07 3niu h GLN 305 N 0.59 0.42 -0.30 2.37 4.20 -0.93 -2.45 115.11 119.00 3niu h GLN 305 Ca 0.15 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3niu h GLN 305 Cb 0.02 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3niu h GLN 305 CO -0.03 0.87 0.11 0.82 -0.67 0.00 0.00 178.83 179.94 3niu h ILE 306 N 0.03 1.19 -0.75 2.54 2.04 -0.44 -1.25 117.51 120.86 3niu h ILE 306 Ca 0.01 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3niu h ILE 306 Cb 0.85 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3niu h ILE 306 CO 0.06 0.20 0.23 0.40 0.00 0.00 0.00 178.15 179.03 3niu h ILE 307 N 0.33 1.26 -0.06 -0.67 1.08 -1.38 -0.61 117.51 117.47 3niu h ILE 307 Ca 0.10 -0.93 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 3niu h ILE 307 Cb 0.20 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3niu h ILE 307 CO -0.01 0.36 -0.02 0.74 -0.69 0.00 0.00 178.15 178.54 3niu h THR 308 N 1.12 1.31 0.00 -0.27 2.02 -1.32 -1.53 112.91 114.24 3niu h THR 308 Ca 0.24 -0.98 -0.18 0.00 0.77 0.00 0.00 66.41 66.26 3niu h THR 308 Cb 0.32 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3niu h THR 308 CO -0.01 0.27 -1.19 -0.26 0.37 0.00 0.00 175.52 174.70 3niu h PHE 309 N -0.24 0.00 0.06 3.16 -1.00 -1.23 0.49 116.94 118.18 3niu h PHE 309 Ca 0.01 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.52 3niu h PHE 309 Cb 0.44 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3niu h PHE 309 CO 0.06 0.69 -1.50 -0.09 -1.61 0.00 0.00 178.31 175.86 3niu h ARG 310 N 0.00 0.13 0.00 1.51 2.43 -1.23 -3.41 114.38 113.80 3niu h ARG 310 Ca -0.12 -0.22 -0.30 0.00 -0.81 0.00 0.00 59.98 58.52 3niu h ARG 310 Cb 1.64 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 31.21 3niu h ARG 310 CO 0.07 1.11 -2.13 -0.25 -1.51 0.00 0.00 179.97 177.25 3niu n ASP 311 N -4.04 1.69 -0.09 -3.80 8.00 -0.65 -4.64 116.55 113.01 3niu n ASP 311 Ca -0.30 -0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.01 3niu n ASP 311 Cb 0.83 0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 42.19 3niu n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3niu n TYR 312 N -2.83 0.75 -0.25 1.24 9.36 -0.73 -4.44 117.16 120.25 3niu n TYR 312 Ca -0.31 0.33 -0.04 0.00 3.32 0.00 0.00 57.90 61.20 3niu n TYR 312 Cb 0.96 -0.87 0.07 0.00 -0.63 0.00 0.00 39.34 38.86 3niu n TYR 312 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3niu h LEU 313 N -1.00 0.75 -1.59 2.98 3.38 -1.16 -2.06 115.31 116.60 3niu h LEU 313 Ca -0.19 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.91 3niu h LEU 313 Cb 0.95 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3niu h LEU 313 CO -0.12 0.53 0.49 -0.65 0.09 0.00 0.00 178.44 178.78 3niu h PRO 314 N 0.89 0.40 -0.01 1.13 0.11 -1.82 0.46 132.00 133.16 3niu h PRO 314 Ca 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3niu h PRO 314 Cb -0.02 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3niu h PRO 314 CO -0.09 0.26 -0.19 0.44 -0.21 0.00 0.00 178.00 178.21 3niu n ILE 315 N -4.48 0.00 -0.11 4.15 -5.35 -0.81 -1.19 119.36 111.58 3niu n ILE 315 Ca 0.14 -0.15 -0.21 0.00 -0.27 0.00 0.00 62.75 62.26 3niu n ILE 315 Cb 0.51 0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 38.70 3niu n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3niu n VAL 316 N -0.49 1.52 0.09 7.28 0.31 -0.53 -4.10 118.33 122.40 3niu n VAL 316 Ca 0.14 -0.08 0.02 0.00 -0.01 0.00 0.00 64.34 64.41 3niu n VAL 316 Cb 0.34 -2.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 3niu n VAL 316 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3niu h LEU 317 N -1.00 0.00 0.00 7.52 3.38 -1.06 0.21 115.31 124.36 3niu h LEU 317 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3niu h LEU 317 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3niu h LEU 317 CO -0.23 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.41 3niu n GLY 318 N 1.29 3.70 0.12 0.83 0.00 -0.34 -1.84 105.19 108.96 3niu n GLY 318 Ca -0.03 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3niu n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3niu n SER 319 N 7.80 0.65 0.06 1.61 3.41 -0.68 -2.53 113.62 123.95 3niu n SER 319 Ca 0.00 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 3niu n SER 319 Cb 0.00 -0.80 0.21 0.00 -0.26 0.00 0.00 64.21 63.37 3niu n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3niu n GLU 320 N -2.22 0.26 -0.08 4.33 -0.58 -0.77 -4.34 120.64 117.25 3niu n GLU 320 Ca 0.02 0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 3niu n GLU 320 Cb 0.24 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.41 3niu n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3niu h MET 321 N 0.00 -0.27 0.00 3.49 1.85 -1.58 -2.12 114.93 116.30 3niu h MET 321 Ca 0.00 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.04 3niu h MET 321 Cb 0.72 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 3niu h MET 321 CO 0.00 -0.18 -0.33 -0.56 -0.40 0.00 0.00 176.91 175.45 3niu h GLN 322 N -0.28 0.00 -0.42 0.39 3.07 -1.78 0.12 115.11 116.20 3niu h GLN 322 Ca 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.75 3niu h GLN 322 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 3niu h GLN 322 CO -0.48 0.33 -0.28 -0.22 0.09 0.00 0.00 178.83 178.26 3niu h LYS 323 N 0.00 0.91 0.00 0.06 3.64 -1.63 -3.34 116.57 116.22 3niu h LYS 323 Ca -0.00 -0.42 -0.34 0.00 -1.27 0.00 0.00 60.65 58.62 3niu h LYS 323 Cb 0.59 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 3niu h LYS 323 CO 0.04 1.07 -2.28 0.91 -2.27 0.00 0.00 179.45 176.92 3niu n TRP 324 N -4.09 0.00 -3.82 1.91 7.02 -0.97 -4.77 117.44 112.73 3niu n TRP 324 Ca -0.01 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.19 3niu n TRP 324 Cb 0.49 -0.92 -0.12 0.00 -2.42 0.00 0.00 31.31 28.34 3niu n TRP 324 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3niu s ILE 325 N -2.45 2.41 0.90 -0.99 1.01 0.39 -4.72 121.20 117.75 3niu s ILE 325 Ca -0.12 -3.85 -0.12 0.00 0.00 0.00 0.00 60.65 56.56 3niu s ILE 325 Cb 0.06 -2.60 0.13 0.00 0.01 0.00 0.00 42.46 40.06 3niu s ILE 325 CO 0.73 -1.01 1.11 -2.84 0.00 0.00 0.00 174.94 172.93 3niu s PRO 326 N -1.01 1.21 0.48 2.79 0.02 -1.25 -4.47 135.00 132.76 3niu s PRO 326 Ca 0.25 0.52 -0.22 0.00 0.02 0.00 0.00 61.00 61.56 3niu s PRO 326 Cb -0.07 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 3niu s PRO 326 CO -0.14 -2.20 0.97 -2.30 -0.33 0.00 0.00 177.00 173.00 3niu n PRO 327 N -3.81 1.19 -2.06 5.54 -0.02 -1.26 -4.89 135.00 129.70 3niu n PRO 327 Ca 0.06 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3niu n PRO 327 Cb 0.57 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3niu n PRO 327 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3niu s TYR 328 N -1.37 3.08 -0.05 6.00 5.04 -1.26 -4.93 117.35 123.86 3niu s TYR 328 Ca 0.67 0.76 0.08 0.00 -2.44 0.00 0.00 57.07 56.13 3niu s TYR 328 Cb -0.51 -3.80 0.12 0.00 0.35 0.00 0.00 41.96 38.11 3niu s TYR 328 CO 0.54 -2.93 1.03 1.04 -1.34 0.00 0.00 175.55 173.88 3niu n GLN 329 N 4.17 1.93 0.00 4.97 6.02 -1.26 -5.12 117.38 128.10 3niu n GLN 329 Ca 0.13 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 3niu n GLN 329 Cb 0.41 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.53 3niu n GLN 329 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3niu n GLY 330 N -0.81 2.07 3.66 1.08 0.00 -1.26 -4.99 105.19 104.93 3niu n GLY 330 Ca 0.06 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3niu n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3niu s TYR 331 N -2.55 1.82 -0.35 1.61 5.04 -1.26 -4.93 117.35 116.72 3niu s TYR 331 Ca 0.00 0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.62 3niu s TYR 331 Cb 0.00 -3.99 0.04 0.00 0.35 0.00 0.00 41.96 38.36 3niu s TYR 331 CO 0.00 -4.19 0.15 1.21 -1.34 0.00 0.00 175.55 171.37 3niu s ASN 332 N 3.70 5.47 0.00 4.32 3.84 -0.67 -4.98 114.94 126.62 3niu s ASN 332 Ca 0.77 -1.12 0.30 0.00 0.21 0.00 0.00 52.86 53.02 3niu s ASN 332 Cb -0.35 -1.92 1.54 0.00 -0.55 0.00 0.00 41.25 39.97 3niu s ASN 332 CO 0.32 -0.36 2.03 -0.46 -2.79 0.00 0.00 177.10 175.84 3niu n ASN 333 N 4.87 0.47 -0.49 -4.21 6.94 -1.26 -2.74 115.26 118.84 3niu n ASN 333 Ca -0.12 -1.01 0.13 0.00 -0.02 0.00 0.00 54.58 53.57 3niu n ASN 333 Cb 0.45 -0.03 0.41 0.00 -2.36 0.00 0.00 39.78 38.26 3niu n ASN 333 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3niu n SER 334 N -0.70 1.62 -4.73 0.53 7.64 -1.26 -4.89 113.62 111.83 3niu n SER 334 Ca 0.20 -1.43 -0.39 0.00 1.01 0.00 0.00 58.87 58.26 3niu n SER 334 Cb 0.21 0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3niu n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3niu s VAL 335 N -2.13 5.09 -0.36 0.44 1.01 -1.11 -5.03 120.40 118.31 3niu s VAL 335 Ca 0.33 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 3niu s VAL 335 Cb 0.20 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3niu s VAL 335 CO 0.38 0.31 1.27 -0.62 0.00 0.00 0.00 175.10 176.44 3niu s ASP 336 N 0.59 6.61 0.00 3.32 2.15 -1.26 -4.66 116.67 123.41 3niu s ASP 336 Ca 0.32 0.96 0.28 0.00 0.43 0.00 0.00 52.55 54.54 3niu s ASP 336 Cb -0.17 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 40.99 3niu s ASP 336 CO 0.15 -1.18 1.76 -0.81 -0.17 0.00 0.00 175.17 174.92 3niu n PRO 337 N 7.55 1.03 -1.86 4.34 -0.04 -1.26 -4.61 135.00 140.16 3niu n PRO 337 Ca 0.14 -0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 62.69 3niu n PRO 337 Cb 0.47 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3niu n PRO 337 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3niu s ARG 338 N -2.31 4.15 -0.06 0.54 0.52 -1.26 -4.47 118.95 116.06 3niu s ARG 338 Ca 0.32 2.51 -0.30 0.00 -0.52 0.00 0.00 55.73 57.74 3niu s ARG 338 Cb 0.20 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 3niu s ARG 338 CO 0.44 -0.48 1.20 0.42 0.02 0.00 0.00 175.30 176.90 3niu s ILE 339 N -1.08 4.26 0.61 1.52 -1.09 -1.26 -4.83 121.20 119.33 3niu s ILE 339 Ca 0.52 1.58 -0.13 0.00 -2.23 0.00 0.00 60.65 60.40 3niu s ILE 339 Cb -0.45 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 3niu s ILE 339 CO 0.61 -0.00 1.04 -0.94 -1.23 0.00 0.00 174.94 174.41 3niu s SER 340 N 1.47 5.93 0.18 3.58 1.04 -1.26 -1.74 113.70 122.90 3niu s SER 340 Ca 0.56 1.61 -0.13 0.00 0.48 0.00 0.00 55.95 58.47 3niu s SER 340 Cb -0.25 -2.50 0.12 0.00 0.10 0.00 0.00 66.02 63.49 3niu s SER 340 CO 0.22 -1.07 1.81 -1.13 0.98 0.00 0.00 173.24 174.06 3niu h ASN 341 N 0.01 0.51 0.21 7.02 -0.73 -1.02 -2.92 115.58 118.67 3niu h ASN 341 Ca -0.45 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 57.68 3niu h ASN 341 Cb 1.20 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 3niu h ASN 341 CO 0.59 0.36 -0.21 1.62 -0.37 0.00 0.00 177.43 179.42 3niu h VAL 342 N 0.63 1.14 -0.20 2.57 3.04 -1.94 -2.42 116.25 119.06 3niu h VAL 342 Ca 0.22 -0.71 -0.02 0.00 -1.01 0.00 0.00 66.70 65.18 3niu h VAL 342 Cb 0.04 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 3niu h VAL 342 CO -0.11 0.20 0.04 0.15 -1.01 0.00 0.00 177.57 176.85 3niu h PHE 343 N 0.00 0.27 0.00 3.17 3.57 -1.87 0.13 116.94 122.21 3niu h PHE 343 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3niu h PHE 343 Cb 0.37 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3niu h PHE 343 CO 0.00 0.25 0.00 1.79 -2.23 0.00 0.00 178.31 178.12 3niu h THR 344 N 0.28 0.00 0.00 4.41 1.35 -1.50 -0.61 112.91 116.84 3niu h THR 344 Ca 0.07 -0.36 -0.19 0.00 -0.55 0.00 0.00 66.41 65.38 3niu h THR 344 Cb 0.12 1.25 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 3niu h THR 344 CO -0.00 0.00 -1.93 0.49 -0.25 0.00 0.00 175.52 173.82 3niu n PHE 345 N -2.78 0.00 -0.10 4.73 3.01 -0.76 -4.29 117.46 117.27 3niu n PHE 345 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 3niu n PHE 345 Cb 0.25 -0.62 -0.03 0.00 -0.01 0.00 0.00 39.48 39.07 3niu n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3niu h ALA 346 N 0.95 0.38 0.00 4.37 0.00 -0.46 -3.01 119.26 121.50 3niu h ALA 346 Ca -0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3niu h ALA 346 Cb 1.56 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3niu h ALA 346 CO 0.02 0.09 -0.04 0.35 0.00 0.00 0.00 179.25 179.67 3niu h PHE 347 N 0.29 0.00 0.00 0.00 3.04 -1.34 -2.69 116.94 116.24 3niu h PHE 347 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3niu h PHE 347 Cb 0.37 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.88 3niu h PHE 347 CO 0.03 0.04 0.00 0.54 -2.02 0.00 0.00 178.31 176.90 3niu n ARG 348 N -3.28 0.35 0.31 1.11 1.74 -1.14 -2.91 116.66 112.84 3niu n ARG 348 Ca -0.01 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.25 3niu n ARG 348 Cb 0.20 -1.02 0.98 0.00 -1.02 0.00 0.00 32.46 31.60 3niu n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3niu h PHE 349 N 0.09 0.00 0.00 -1.55 -5.15 -1.68 -2.96 116.94 105.70 3niu h PHE 349 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3niu h PHE 349 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.19 3niu h PHE 349 CO 0.00 0.03 0.00 0.41 -2.00 0.00 0.00 178.31 176.75 3niu n GLY 350 N -0.94 -1.56 0.24 6.09 0.00 -1.15 -2.96 105.19 104.92 3niu n GLY 350 Ca -0.02 0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.17 3niu n GLY 350 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3niu h HIS 351 N 0.00 0.00 -0.01 1.61 3.86 -1.81 -0.35 115.15 118.45 3niu h HIS 351 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3niu h HIS 351 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3niu h HIS 351 CO 0.00 0.00 -0.32 -1.33 0.86 0.00 0.00 177.93 177.14 3niu n MET 352 N -2.79 1.01 0.00 2.45 2.81 -1.16 -3.77 117.12 115.68 3niu n MET 352 Ca -0.00 -0.70 0.12 0.00 -1.81 0.00 0.00 57.70 55.31 3niu n MET 352 Cb 0.21 -1.49 0.19 0.00 -0.71 0.00 0.00 33.22 31.42 3niu n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3niu n GLU 353 N -0.38 1.21 -2.92 0.03 1.02 -0.15 -4.28 120.64 115.17 3niu n GLU 353 Ca 0.11 -0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 55.94 3niu n GLU 353 Cb 0.39 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 3niu n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3niu s VAL 354 N -2.41 4.86 0.81 2.62 1.01 -1.18 -1.46 120.40 124.65 3niu s VAL 354 Ca 0.23 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.60 3niu s VAL 354 Cb 0.19 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.57 3niu s VAL 354 CO 0.51 -0.06 1.17 -2.16 0.00 0.00 0.00 175.10 174.56 3niu s PRO 355 N 2.80 1.86 0.24 2.72 0.04 -1.26 -4.51 135.00 136.88 3niu s PRO 355 Ca 0.34 -0.01 0.24 0.00 0.04 0.00 0.00 61.00 61.60 3niu s PRO 355 Cb -0.15 -1.98 0.42 0.00 0.04 0.00 0.00 34.50 32.83 3niu s PRO 355 CO 0.07 -1.62 1.48 0.66 0.04 0.00 0.00 177.00 177.63 3niu h SER 356 N -1.04 0.00 -4.25 6.66 4.64 -1.97 -3.46 113.55 114.14 3niu h SER 356 Ca -0.45 -0.06 -0.34 0.00 -0.47 0.00 0.00 61.79 60.46 3niu h SER 356 Cb 1.32 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.23 3niu h SER 356 CO 0.62 0.03 -0.74 0.42 -0.87 0.00 0.00 176.83 176.29 3niu s THR 357 N -3.19 1.06 -0.12 2.95 -4.23 -1.26 -1.64 115.64 109.20 3niu s THR 357 Ca 0.07 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3niu s THR 357 Cb 0.10 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.50 3niu s THR 357 CO 0.68 -0.55 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.38 3niu s VAL 358 N -2.49 1.46 0.13 2.29 1.01 -0.06 -4.87 120.40 117.88 3niu s VAL 358 Ca 0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3niu s VAL 358 Cb -0.03 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3niu s VAL 358 CO 0.01 0.44 0.32 -0.44 0.00 0.00 0.00 175.10 175.42 3niu s SER 359 N 1.23 6.41 -0.19 3.32 0.01 -1.26 -1.69 113.70 121.53 3niu s SER 359 Ca -0.01 0.40 -0.00 0.00 1.31 0.00 0.00 55.95 57.64 3niu s SER 359 Cb -0.14 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 64.09 3niu s SER 359 CO -0.05 0.06 -0.17 -0.13 0.41 0.00 0.00 173.24 173.36 3niu s ARG 360 N -2.84 3.08 0.12 12.44 0.52 -0.57 -4.48 118.95 127.22 3niu s ARG 360 Ca 0.38 -0.79 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 3niu s ARG 360 Cb -0.12 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 3niu s ARG 360 CO 0.27 -0.20 -0.04 -0.51 0.02 0.00 0.00 175.30 174.84 3niu s LEU 361 N 1.32 3.26 0.00 2.53 1.43 -0.62 -0.97 118.68 125.63 3niu s LEU 361 Ca 0.05 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3niu s LEU 361 Cb -0.13 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3niu s LEU 361 CO -0.11 0.15 0.21 -0.90 0.23 0.00 0.00 176.35 175.93 3niu n ASP 362 N 0.38 0.36 0.31 2.29 5.68 0.56 -4.10 116.55 122.03 3niu n ASP 362 Ca -0.11 -1.29 0.18 0.00 -0.50 0.00 0.00 54.79 53.07 3niu n ASP 362 Cb 0.53 -0.13 1.02 0.00 -1.14 0.00 0.00 41.12 41.40 3niu n ASP 362 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3niu h GLU 363 N 0.00 0.00 -0.64 0.11 5.08 -1.98 0.41 114.58 117.56 3niu h GLU 363 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3niu h GLU 363 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3niu h GLU 363 CO 0.08 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 3niu n ASN 364 N -3.54 5.16 -1.45 1.42 4.13 -1.26 -4.95 115.26 114.77 3niu n ASN 364 Ca -0.03 -2.61 -0.19 0.00 1.68 0.00 0.00 54.58 53.43 3niu n ASN 364 Cb 0.09 -0.62 -0.08 0.00 -1.54 0.00 0.00 39.78 37.62 3niu n ASN 364 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3niu n TYR 365 N 0.99 0.00 -3.27 3.10 4.01 0.14 -5.00 117.16 117.14 3niu n TYR 365 Ca 0.27 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.76 3niu n TYR 365 Cb 1.01 -3.32 -0.01 0.00 -0.31 0.00 0.00 39.34 36.71 3niu n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3niu s GLN 366 N -3.60 3.52 0.11 -0.72 -1.52 -1.26 -4.71 119.66 111.47 3niu s GLN 366 Ca 0.00 -0.20 -0.35 0.00 -1.95 0.00 0.00 55.36 52.85 3niu s GLN 366 Cb 0.00 -2.62 -0.17 0.00 -0.22 0.00 0.00 33.01 30.00 3niu s GLN 366 CO 0.00 0.11 1.21 -2.30 -0.25 0.00 0.00 175.29 174.07 3niu n PRO 367 N -1.69 0.96 -3.25 2.91 -0.02 -1.26 -0.32 135.00 132.33 3niu n PRO 367 Ca -0.03 0.34 -0.46 0.00 -2.02 0.00 0.00 63.50 61.33 3niu n PRO 367 Cb 0.56 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3niu n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3niu s TRP 368 N 0.13 3.55 0.00 6.00 -0.00 -0.15 -4.66 118.94 123.82 3niu s TRP 368 Ca 0.81 -1.74 0.00 0.00 -0.00 0.00 0.00 56.10 55.17 3niu s TRP 368 Cb -0.96 -3.90 0.00 0.00 -0.00 0.00 0.00 33.47 28.61 3niu s TRP 368 CO 0.50 -1.09 0.00 0.41 -0.00 0.00 0.00 176.95 176.77 3niu n GLY 369 N 4.46 -0.33 0.22 5.86 0.00 -1.26 -3.82 105.19 110.32 3niu n GLY 369 Ca 0.10 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.37 3niu n GLY 369 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3niu h PRO 370 N 0.00 0.00 -1.02 1.61 0.13 -2.01 -3.20 132.00 127.50 3niu h PRO 370 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 3niu h PRO 370 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 3niu h PRO 370 CO 0.00 0.24 -0.42 0.39 -0.23 0.00 0.00 178.00 177.98 3niu n GLU 371 N -3.56 3.38 -0.06 0.86 1.02 -1.26 -4.82 120.64 116.20 3niu n GLU 371 Ca -0.01 -4.06 -0.10 0.00 -0.02 0.00 0.00 57.16 52.97 3niu n GLU 371 Cb 0.39 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.50 3niu n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3niu h ALA 372 N 2.28 0.30 -2.91 0.62 0.00 -1.65 -3.41 119.26 114.49 3niu h ALA 372 Ca 0.41 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 54.63 3niu h ALA 372 Cb 1.21 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 3niu h ALA 372 CO 0.95 -0.20 -0.53 -2.00 0.00 0.00 0.00 179.25 177.47 3niu s GLU 373 N -6.00 3.92 0.01 0.00 2.12 -1.26 -1.51 118.70 115.98 3niu s GLU 373 Ca -0.13 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 54.94 3niu s GLU 373 Cb 0.08 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3niu s GLU 373 CO 0.70 -0.18 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.52 3niu s LEU 374 N 1.74 2.39 0.30 2.70 1.43 -0.68 -4.96 118.68 121.60 3niu s LEU 374 Ca 0.07 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 3niu s LEU 374 Cb -0.16 -1.42 -0.11 0.00 0.03 0.00 0.00 46.19 44.53 3niu s LEU 374 CO 0.10 0.29 1.46 -2.84 0.23 0.00 0.00 176.35 175.59 3niu s PRO 375 N -1.08 4.22 0.36 1.29 0.02 -1.26 -0.88 135.00 137.67 3niu s PRO 375 Ca 0.12 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.60 3niu s PRO 375 Cb -0.10 -3.06 0.76 0.00 0.02 0.00 0.00 34.50 32.11 3niu s PRO 375 CO 0.02 -0.44 1.94 1.25 -0.33 0.00 0.00 177.00 179.44 3niu h LEU 376 N 4.35 0.66 -1.86 -5.54 5.85 -1.63 -1.97 115.31 115.17 3niu h LEU 376 Ca -0.48 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3niu h LEU 376 Cb 1.22 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3niu h LEU 376 CO 0.73 0.41 -0.14 1.12 -0.34 0.00 0.00 178.44 180.23 3niu h HIS 377 N 0.74 0.00 0.00 1.25 2.07 -1.85 -0.28 115.15 117.09 3niu h HIS 377 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 3niu h HIS 377 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 3niu h HIS 377 CO -0.00 0.14 0.00 0.25 -3.07 0.00 0.00 177.93 175.24 3niu n THR 378 N -3.77 0.13 0.10 6.12 -2.24 -0.74 -3.73 114.28 110.14 3niu n THR 378 Ca -0.02 0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3niu n THR 378 Cb 0.24 -0.59 0.07 0.00 -2.10 0.00 0.00 70.33 67.95 3niu n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3niu n LEU 379 N -1.27 2.11 -4.72 3.22 4.77 -0.12 -4.82 117.00 116.17 3niu n LEU 379 Ca 0.13 -1.50 -0.42 0.00 -0.03 0.00 0.00 56.01 54.19 3niu n LEU 379 Cb 0.21 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3niu n LEU 379 CO 0.20 0.49 0.82 -0.36 -1.33 0.00 0.00 177.39 177.21 3niu s PHE 380 N -0.80 3.52 -1.49 -1.77 0.08 -1.22 -2.54 117.98 113.76 3niu s PHE 380 Ca 0.12 1.45 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 3niu s PHE 380 Cb 0.07 -3.32 0.07 0.00 -0.57 0.00 0.00 43.02 39.28 3niu s PHE 380 CO 0.10 -0.84 0.86 1.19 -0.10 0.00 0.00 175.22 176.42 3niu n PHE 381 N 3.69 -2.19 -3.54 0.36 3.01 -0.94 -4.95 117.46 112.90 3niu n PHE 381 Ca 0.07 0.79 -0.41 0.00 1.01 0.00 0.00 57.45 58.91 3niu n PHE 381 Cb 0.48 -3.86 -0.08 0.00 -0.01 0.00 0.00 39.48 36.00 3niu n PHE 381 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3niu s ASN 382 N -3.13 5.75 -0.05 4.37 3.84 -1.22 -4.06 114.94 120.45 3niu s ASN 382 Ca 0.58 -1.98 0.20 0.00 0.21 0.00 0.00 52.86 51.87 3niu s ASN 382 Cb -0.29 -2.02 -0.26 0.00 -0.55 0.00 0.00 41.25 38.13 3niu s ASN 382 CO 0.72 -0.69 0.46 0.35 -2.79 0.00 0.00 177.10 175.15 3niu n THR 383 N 4.83 0.60 0.22 -5.21 -2.24 -1.26 -4.43 114.28 106.79 3niu n THR 383 Ca -0.07 -0.63 0.07 0.00 -2.27 0.00 0.00 64.05 61.15 3niu n THR 383 Cb 0.41 -0.26 0.52 0.00 -2.10 0.00 0.00 70.33 68.90 3niu n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3niu h TRP 384 N 0.00 0.00 0.00 4.78 5.08 -1.88 -1.95 115.95 121.98 3niu h TRP 384 Ca -0.18 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.72 3niu h TRP 384 Cb 1.43 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.58 3niu h TRP 384 CO 0.00 0.24 -0.34 0.00 -1.28 0.00 0.00 178.44 177.06 3niu h ARG 385 N 0.00 0.00 0.24 0.12 2.47 -1.94 0.14 114.38 115.41 3niu h ARG 385 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3niu h ARG 385 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3niu h ARG 385 CO 0.03 0.34 -0.12 0.82 0.56 0.00 0.00 179.97 181.61 3niu h ILE 386 N 0.00 0.15 -0.22 2.04 2.04 -1.62 -3.17 117.51 116.74 3niu h ILE 386 Ca -0.00 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 3niu h ILE 386 Cb 0.94 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3niu h ILE 386 CO 0.04 0.04 -0.38 0.40 0.00 0.00 0.00 178.15 178.26 3niu h ILE 387 N -1.06 1.32 -0.03 -0.67 2.04 -1.40 -1.17 117.51 116.54 3niu h ILE 387 Ca -0.03 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.23 3niu h ILE 387 Cb 0.32 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3niu h ILE 387 CO 0.05 0.50 -0.05 0.29 0.00 0.00 0.00 178.15 178.95 3niu n LYS 388 N -4.25 2.22 -2.77 2.37 5.02 0.49 -4.59 118.16 116.66 3niu n LYS 388 Ca -0.05 -1.83 -0.12 0.00 -2.02 0.00 0.00 58.31 54.29 3niu n LYS 388 Cb 0.52 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3niu n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3niu n ASP 389 N 1.21 1.47 0.00 4.39 2.03 -1.20 -4.99 116.55 119.46 3niu n ASP 389 Ca 0.14 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.62 3niu n ASP 389 Cb 0.58 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 3niu n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3niu n GLY 390 N -0.01 0.82 7.00 0.27 0.00 -1.25 -4.77 105.19 107.25 3niu n GLY 390 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3niu n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3niu n GLY 391 N -1.21 -1.56 0.11 -0.02 0.00 -0.44 -4.43 105.19 97.63 3niu n GLY 391 Ca 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.84 3niu n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3niu n ILE 392 N -0.30 0.00 -0.04 -0.61 -6.64 -1.26 -4.43 119.36 106.07 3niu n ILE 392 Ca 0.00 -0.06 -0.11 0.00 -1.77 0.00 0.00 62.75 60.82 3niu n ILE 392 Cb 0.00 0.66 -0.05 0.00 -1.44 0.00 0.00 39.64 38.82 3niu n ILE 392 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3niu h ASP 393 N 0.53 0.22 0.68 7.28 5.19 -1.97 0.49 116.42 128.83 3niu h ASP 393 Ca 0.00 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 3niu h ASP 393 Cb 0.54 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3niu h ASP 393 CO 0.00 0.27 -0.17 -0.65 -3.12 0.00 0.00 179.24 175.57 3niu h PRO 394 N 0.15 0.00 -0.03 3.56 0.11 -1.78 -2.15 132.00 131.86 3niu h PRO 394 Ca 0.06 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.94 3niu h PRO 394 Cb 0.11 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.24 3niu h PRO 394 CO -0.01 0.17 -0.86 -0.07 -0.21 0.00 0.00 178.00 177.02 3niu h LEU 395 N 0.00 0.82 -0.60 2.35 3.38 -1.71 -1.61 115.31 117.94 3niu h LEU 395 Ca -0.00 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 57.16 3niu h LEU 395 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3niu h LEU 395 CO 0.02 1.42 0.01 0.58 0.09 0.00 0.00 178.44 180.57 3niu h VAL 396 N 0.29 1.27 -0.90 1.22 2.07 -0.76 -2.63 116.25 116.81 3niu h VAL 396 Ca -0.10 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3niu h VAL 396 Cb 1.53 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3niu h VAL 396 CO 0.17 0.41 0.59 0.03 0.02 0.00 0.00 177.57 178.79 3niu h ARG 397 N 0.94 1.13 -0.69 1.57 3.08 -1.49 -2.37 114.38 116.56 3niu h ARG 397 Ca 0.17 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3niu h ARG 397 Cb 0.54 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3niu h ARG 397 CO 0.03 0.75 0.40 0.78 -1.07 0.00 0.00 179.97 180.86 3niu h GLY 398 N 1.16 1.01 0.81 0.04 0.00 -1.38 -1.64 103.07 103.07 3niu h GLY 398 Ca 0.35 -0.44 0.08 0.00 0.00 0.00 0.00 47.33 47.32 3niu h GLY 398 CO -0.09 0.42 0.57 1.41 0.00 0.00 0.00 176.54 178.85 3niu h LEU 399 N 0.94 0.82 0.19 3.11 3.38 -1.07 0.00 115.31 122.68 3niu h LEU 399 Ca 0.25 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.92 3niu h LEU 399 Cb -0.00 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.61 3niu h LEU 399 CO -0.04 0.50 -1.38 -0.07 0.09 0.00 0.00 178.44 177.54 3niu h LEU 400 N 0.92 0.62 0.00 1.67 3.38 -1.29 -2.95 115.31 117.65 3niu h LEU 400 Ca 0.39 -0.67 -0.17 0.00 0.09 0.00 0.00 57.88 57.52 3niu h LEU 400 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3niu h LEU 400 CO -0.16 1.53 -1.73 0.00 0.09 0.00 0.00 178.44 178.17 3niu n ALA 401 N -2.63 2.03 -2.38 1.53 0.00 -0.64 -4.36 120.51 114.05 3niu n ALA 401 Ca -0.13 -0.70 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 3niu n ALA 401 Cb 1.06 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3niu n ALA 401 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3niu s LYS 402 N -2.96 3.28 0.17 0.00 -0.14 -0.03 -4.79 119.74 115.26 3niu s LYS 402 Ca -0.05 -0.23 -0.01 0.00 -1.36 0.00 0.00 55.97 54.32 3niu s LYS 402 Cb 0.09 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 3niu s LYS 402 CO 0.83 -0.18 0.36 -0.80 -0.76 0.00 0.00 175.35 174.80 3niu s ASN 403 N -4.15 6.40 0.85 2.83 0.01 -1.26 -1.76 114.94 117.86 3niu s ASN 403 Ca 0.46 0.41 -0.12 0.00 -0.71 0.00 0.00 52.86 52.90 3niu s ASN 403 Cb -0.10 -2.01 0.10 0.00 0.41 0.00 0.00 41.25 39.65 3niu s ASN 403 CO 0.40 0.01 1.13 -0.44 -1.51 0.00 0.00 177.10 176.68 3niu s SER 404 N -2.93 4.09 0.09 -1.22 0.01 -0.87 -4.43 113.70 108.44 3niu s SER 404 Ca 0.38 1.07 -0.28 0.00 1.31 0.00 0.00 55.95 58.43 3niu s SER 404 Cb -0.11 -1.71 -0.06 0.00 0.21 0.00 0.00 66.02 64.35 3niu s SER 404 CO 0.28 -2.20 0.89 -0.75 0.41 0.00 0.00 173.24 171.87 3niu s LYS 405 N -5.28 4.63 0.25 12.44 2.20 -0.54 0.76 119.74 134.21 3niu s LYS 405 Ca 0.62 1.31 -0.21 0.00 -0.36 0.00 0.00 55.97 57.33 3niu s LYS 405 Cb -0.14 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3niu s LYS 405 CO 0.53 0.26 0.79 -1.17 -0.36 0.00 0.00 175.35 175.39 3niu s LEU 406 N -0.09 4.33 0.17 5.43 2.96 0.26 -4.31 118.68 127.42 3niu s LEU 406 Ca 0.44 1.53 -0.30 0.00 -0.22 0.00 0.00 54.13 55.57 3niu s LEU 406 Cb -0.22 -3.73 -0.08 0.00 0.50 0.00 0.00 46.19 42.66 3niu s LEU 406 CO 0.27 -0.01 1.31 -0.32 -1.32 0.00 0.00 176.35 176.29 3niu s MET 407 N -2.03 4.39 -0.00 1.98 -2.45 -1.26 -4.84 119.30 115.08 3niu s MET 407 Ca 0.45 2.03 0.03 0.00 -1.25 0.00 0.00 55.69 56.95 3niu s MET 407 Cb -0.17 -3.22 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 3niu s MET 407 CO 0.22 -0.28 -0.10 1.21 1.05 0.00 0.00 175.02 177.12 3niu s ASN 408 N 0.52 1.14 0.52 1.11 3.84 -1.19 -5.03 114.94 115.85 3niu s ASN 408 Ca 0.58 -0.21 0.33 0.00 0.21 0.00 0.00 52.86 53.78 3niu s ASN 408 Cb -0.36 -0.12 1.45 0.00 -0.55 0.00 0.00 41.25 41.68 3niu s ASN 408 CO 0.36 0.10 1.99 1.56 -2.79 0.00 0.00 177.10 178.32 3niu h GLN 409 N 5.77 0.00 0.00 0.43 4.20 -1.92 -2.78 115.11 120.81 3niu h GLN 409 Ca -0.32 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.28 3niu h GLN 409 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3niu h GLN 409 CO 0.49 0.00 -1.89 0.09 -0.67 0.00 0.00 178.83 176.85 3niu n ASN 410 N -2.95 0.23 -3.65 1.46 3.02 -1.26 -4.76 115.26 107.35 3niu n ASN 410 Ca 0.00 0.10 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 3niu n ASN 410 Cb 0.26 1.30 -0.12 0.00 -0.61 0.00 0.00 39.78 40.61 3niu n ASN 410 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3niu s LYS 411 N -3.17 1.35 0.00 3.52 1.02 -1.05 -4.70 119.74 116.71 3niu s LYS 411 Ca -0.07 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 53.70 3niu s LYS 411 Cb 0.11 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 3niu s LYS 411 CO 0.86 -1.24 0.00 -1.33 -0.92 0.00 0.00 175.35 172.72 3niu n MET 412 N 3.12 0.00 -4.91 1.68 2.81 -1.20 -3.16 117.12 115.47 3niu n MET 412 Ca 0.16 0.25 -0.33 0.00 -1.81 0.00 0.00 57.70 55.98 3niu n MET 412 Cb 0.38 -0.71 -0.14 0.00 -0.71 0.00 0.00 33.22 32.04 3niu n MET 412 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3niu s VAL 413 N -0.72 2.95 0.53 2.03 1.01 -0.75 -4.47 120.40 120.98 3niu s VAL 413 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3niu s VAL 413 Cb 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 3niu s VAL 413 CO 0.00 0.57 1.20 0.28 0.00 0.00 0.00 175.10 177.15 3niu s THR 414 N -0.40 2.82 0.53 3.92 -1.32 -1.26 -4.46 115.64 115.47 3niu s THR 414 Ca 0.04 0.57 0.22 0.00 -1.21 0.00 0.00 61.69 61.31 3niu s THR 414 Cb -0.12 -3.26 0.29 0.00 -1.51 0.00 0.00 72.50 67.90 3niu s THR 414 CO 0.02 -0.06 2.17 0.28 -2.21 0.00 0.00 174.62 174.82 3niu h SER 415 N 1.47 0.00 -0.07 8.08 0.02 -1.95 0.91 113.55 122.01 3niu h SER 415 Ca -0.50 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3niu h SER 415 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 3niu h SER 415 CO 0.58 0.03 0.09 -0.33 -1.14 0.00 0.00 176.83 176.06 3niu h GLU 416 N 0.00 0.00 0.00 3.45 4.39 -1.92 0.19 114.58 120.68 3niu h GLU 416 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3niu h GLU 416 Cb 0.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3niu h GLU 416 CO 0.00 0.00 -1.83 1.28 -1.16 0.00 0.00 179.01 177.31 3niu n LEU 417 N -3.72 0.19 0.13 1.33 4.77 -0.43 -3.45 117.00 115.82 3niu n LEU 417 Ca -0.01 -0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3niu n LEU 417 Cb 0.19 0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3niu n LEU 417 CO 0.26 0.33 0.24 -0.09 -1.33 0.00 0.00 177.39 176.80 3niu h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -0.54 -0.96 114.38 118.54 3niu h ARG 418 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3niu h ARG 418 Cb 1.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 3niu h ARG 418 CO 0.01 0.06 -0.78 0.09 -1.51 0.00 0.00 179.97 177.84 3niu n ASN 419 N -2.85 3.90 -0.53 -3.80 3.02 0.60 -4.25 115.26 111.35 3niu n ASN 419 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 3niu n ASN 419 Cb 0.58 0.51 0.18 0.00 -0.61 0.00 0.00 39.78 40.45 3niu n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3niu n LYS 420 N -1.51 1.40 -2.17 3.52 5.02 -0.87 -3.60 118.16 119.94 3niu n LYS 420 Ca 0.00 -3.03 -0.41 0.00 -2.02 0.00 0.00 58.31 52.86 3niu n LYS 420 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3niu n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3niu s LEU 421 N -2.91 4.44 -0.12 -0.35 2.96 -0.77 -4.41 118.68 117.52 3niu s LEU 421 Ca 0.36 2.59 -0.06 0.00 -0.22 0.00 0.00 54.13 56.79 3niu s LEU 421 Cb 0.34 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 3niu s LEU 421 CO -0.05 -0.49 0.11 0.12 -1.32 0.00 0.00 176.35 174.72 3niu s PHE 422 N -0.89 3.49 0.00 5.38 5.36 -1.26 -1.37 117.98 128.69 3niu s PHE 422 Ca 0.50 0.43 0.08 0.00 -0.96 0.00 0.00 56.93 56.98 3niu s PHE 422 Cb -0.38 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 3niu s PHE 422 CO 0.49 0.63 -0.24 -0.65 -1.46 0.00 0.00 175.22 173.99 3niu s GLN 423 N -0.84 1.83 0.41 10.12 -0.21 -1.26 -4.99 119.66 124.72 3niu s GLN 423 Ca 0.14 -0.92 0.14 0.00 0.02 0.00 0.00 55.36 54.73 3niu s GLN 423 Cb -0.12 -1.85 1.01 0.00 1.00 0.00 0.00 33.01 33.05 3niu s GLN 423 CO 0.03 0.50 1.92 -1.00 -2.12 0.00 0.00 175.29 174.61 3niu h PRO 424 N 5.28 0.45 -0.03 2.91 0.13 -1.99 -2.32 132.00 136.44 3niu h PRO 424 Ca -0.43 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 3niu h PRO 424 Cb 1.14 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.18 3niu h PRO 424 CO 0.46 0.30 -0.77 1.15 -0.23 0.00 0.00 178.00 178.91 3niu h THR 425 N 0.47 1.35 -3.41 1.56 2.02 -2.00 -3.42 112.91 109.48 3niu h THR 425 Ca 0.37 -2.10 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 3niu h THR 425 Cb 0.79 2.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.62 3niu h THR 425 CO -0.13 0.63 0.01 1.41 0.37 0.00 0.00 175.52 177.81 3niu n HIS 426 N -4.06 -3.35 0.00 3.16 8.25 -0.87 -5.07 115.22 113.28 3niu n HIS 426 Ca -0.10 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3niu n HIS 426 Cb 0.75 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.80 3niu n HIS 426 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3niu n LYS 427 N -1.14 1.78 -3.58 -0.41 5.02 -1.26 -4.80 118.16 113.77 3niu n LYS 427 Ca 0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 3niu n LYS 427 Cb 0.04 -0.84 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 3niu n LYS 427 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3niu s VAL 428 N -1.55 5.09 -1.26 -0.18 -7.23 -1.26 -5.00 120.40 109.01 3niu s VAL 428 Ca 0.00 0.19 -0.09 0.00 -1.81 0.00 0.00 61.98 60.28 3niu s VAL 428 Cb 0.00 -3.62 0.18 0.00 0.56 0.00 0.00 36.38 33.50 3niu s VAL 428 CO 0.00 0.01 1.82 1.41 -0.31 0.00 0.00 175.10 178.04 3niu n HIS 429 N 0.05 2.89 -1.88 2.82 8.25 -1.26 -4.48 115.22 121.60 3niu n HIS 429 Ca -0.02 -2.78 0.00 0.00 -0.26 0.00 0.00 57.72 54.67 3niu n HIS 429 Cb 0.52 -1.87 0.00 0.00 1.12 0.00 0.00 29.99 29.76 3niu n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3niu n GLY 430 N 2.65 0.27 3.94 -1.41 0.00 -0.95 -4.32 105.19 105.36 3niu n GLY 430 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 3niu n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3niu s PHE 431 N 0.00 3.18 -0.23 1.61 0.40 -0.47 -4.76 117.98 117.71 3niu s PHE 431 Ca 0.00 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.72 3niu s PHE 431 Cb 0.00 -2.57 0.06 0.00 0.51 0.00 0.00 43.02 41.02 3niu s PHE 431 CO 0.00 -0.64 -0.08 0.34 0.70 0.00 0.00 175.22 175.53 3niu s ASP 432 N -4.29 3.93 0.31 1.36 -1.08 -1.26 -1.84 116.67 113.80 3niu s ASP 432 Ca 0.52 -1.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.39 3niu s ASP 432 Cb -0.10 -1.31 0.50 0.00 -1.46 0.00 0.00 42.92 40.55 3niu s ASP 432 CO 0.41 -0.20 1.86 0.25 0.52 0.00 0.00 175.17 178.01 3niu h LEU 433 N 7.90 0.64 -0.33 -1.34 5.85 -1.41 -0.17 115.31 126.45 3niu h LEU 433 Ca -0.21 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3niu h LEU 433 Cb 1.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3niu h LEU 433 CO 0.45 0.66 -0.13 0.00 -0.34 0.00 0.00 178.44 179.07 3niu h ALA 434 N 1.43 0.47 -0.38 1.25 0.00 -1.89 -1.58 119.26 118.55 3niu h ALA 434 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3niu h ALA 434 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3niu h ALA 434 CO 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.42 3niu h ALA 435 N 0.79 0.96 -0.43 0.00 0.00 -1.76 -2.69 119.26 116.12 3niu h ALA 435 Ca 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3niu h ALA 435 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3niu h ALA 435 CO 0.04 0.61 0.16 0.82 0.00 0.00 0.00 179.25 180.88 3niu h ILE 436 N 0.64 1.21 -0.91 0.00 2.04 -0.99 -2.24 117.51 117.26 3niu h ILE 436 Ca 0.10 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3niu h ILE 436 Cb 0.67 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3niu h ILE 436 CO 0.05 0.24 0.60 0.78 0.00 0.00 0.00 178.15 179.82 3niu h ASN 437 N 0.56 1.03 -0.06 1.72 2.35 -1.15 0.70 115.58 120.73 3niu h ASN 437 Ca 0.14 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3niu h ASN 437 Cb 0.21 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.34 3niu h ASN 437 CO -0.01 0.74 -0.78 -0.07 -1.65 0.00 0.00 177.43 175.67 3niu h LEU 438 N 1.22 0.85 -1.05 1.61 3.38 -1.45 -1.26 115.31 118.61 3niu h LEU 438 Ca 0.34 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3niu h LEU 438 Cb -0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 3niu h LEU 438 CO -0.08 1.35 -0.06 -0.61 0.09 0.00 0.00 178.44 179.13 3niu h GLN 439 N 0.49 0.60 -0.15 1.13 5.75 -1.22 -2.98 115.11 118.72 3niu h GLN 439 Ca -0.05 -0.16 -0.15 0.00 -0.15 0.00 0.00 58.65 58.14 3niu h GLN 439 Cb 1.40 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.87 3niu h GLN 439 CO 0.15 0.67 -0.53 -0.09 -2.65 0.00 0.00 178.83 176.38 3niu h ARG 440 N 0.56 0.44 -0.59 1.69 9.65 -0.70 -0.41 114.38 125.02 3niu h ARG 440 Ca 0.11 -0.27 0.09 0.00 -1.10 0.00 0.00 59.98 58.81 3niu h ARG 440 Cb 0.46 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.99 3niu h ARG 440 CO 0.02 0.87 0.22 0.00 2.80 0.00 0.00 179.97 183.88 3niu h ARG 442 N 0.40 0.55 -0.74 0.00 3.08 -1.41 -2.08 114.38 114.19 3niu h ARG 442 Ca 0.30 -0.51 0.13 0.00 0.07 0.00 0.00 59.98 59.97 3niu h ARG 442 Cb 0.36 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 3niu h ARG 442 CO -0.30 1.14 0.30 0.22 -1.07 0.00 0.00 179.97 180.26 3niu h ASP 443 N 0.14 0.30 0.36 7.04 3.58 -0.88 -1.53 116.42 125.44 3niu h ASP 443 Ca -0.06 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3niu h ASP 443 Cb 1.32 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.44 3niu h ASP 443 CO 0.13 0.12 0.00 1.41 -2.88 0.00 0.00 179.24 178.03 3niu n HIS 444 N -4.99 0.00 -2.93 0.28 8.25 -0.22 -4.84 115.22 110.76 3niu n HIS 444 Ca 0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 3niu n HIS 444 Cb 0.39 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.34 3niu n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3niu n GLY 445 N 1.05 0.34 3.74 -1.41 0.00 -0.57 -4.87 105.19 103.47 3niu n GLY 445 Ca 0.16 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3niu n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3niu s MET 446 N -5.52 4.36 0.86 1.61 -1.94 -0.80 -0.13 119.30 117.74 3niu s MET 446 Ca 0.24 2.10 -0.12 0.00 -1.71 0.00 0.00 55.69 56.19 3niu s MET 446 Cb -0.10 -3.19 0.11 0.00 2.01 0.00 0.00 34.83 33.66 3niu s MET 446 CO 0.29 -0.31 1.16 -2.30 -0.01 0.00 0.00 175.02 173.85 3niu n PRO 447 N 2.79 -0.09 -0.93 2.03 -0.02 -1.26 -4.58 135.00 132.94 3niu n PRO 447 Ca 0.07 0.05 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 3niu n PRO 447 Cb 0.42 -2.40 0.23 0.00 -0.02 0.00 0.00 33.50 31.74 3niu n PRO 447 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3niu n GLY 448 N 0.47 -2.77 0.35 -1.23 0.00 -1.26 -4.51 105.19 96.25 3niu n GLY 448 Ca 0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 3niu n GLY 448 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3niu h TYR 449 N -2.64 1.15 0.00 1.61 3.20 -1.06 -2.95 116.97 116.27 3niu h TYR 449 Ca -0.37 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.34 3niu h TYR 449 Cb 1.14 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3niu h TYR 449 CO 0.00 0.83 -0.49 -0.91 -1.64 0.00 0.00 178.16 175.95 3niu h ASN 450 N 1.14 0.00 -0.44 -2.11 2.35 -1.79 -1.69 115.58 113.04 3niu h ASN 450 Ca 0.28 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3niu h ASN 450 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 3niu h ASN 450 CO -0.04 0.49 -0.03 0.28 -1.65 0.00 0.00 177.43 176.49 3niu h SER 451 N 0.00 0.84 0.31 5.81 0.02 -1.85 -1.03 113.55 117.65 3niu h SER 451 Ca -0.00 -0.22 -0.26 0.00 -0.84 0.00 0.00 61.79 60.46 3niu h SER 451 Cb 1.02 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.35 3niu h SER 451 CO 0.06 0.92 -1.09 -0.50 -1.14 0.00 0.00 176.83 175.08 3niu h TRP 452 N 0.80 0.73 -0.64 3.45 4.06 -1.51 -2.06 115.95 120.78 3niu h TRP 452 Ca 0.15 -0.44 0.07 0.00 2.06 0.00 0.00 58.89 60.73 3niu h TRP 452 Cb 0.52 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.55 3niu h TRP 452 CO 0.03 1.29 0.32 0.00 -3.56 0.00 0.00 178.44 176.51 3niu h ARG 453 N 0.22 0.56 -0.45 0.49 2.47 -1.18 -0.38 114.38 116.12 3niu h ARG 453 Ca -0.12 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.47 3niu h ARG 453 Cb 1.76 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.93 3niu h ARG 453 CO 0.20 0.37 -0.09 0.78 0.56 0.00 0.00 179.97 181.78 3niu h GLY 454 N 0.58 0.88 1.81 0.04 0.00 -1.18 0.17 103.07 105.36 3niu h GLY 454 Ca 0.30 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3niu h GLY 454 CO -0.22 0.61 -0.15 -2.75 0.00 0.00 0.00 176.54 174.03 3niu h PHE 455 N 0.74 0.25 -0.32 5.60 3.57 -0.74 -2.84 116.94 123.20 3niu h PHE 455 Ca 0.13 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3niu h PHE 455 Cb 0.58 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3niu h PHE 455 CO 0.03 0.39 0.00 0.00 -2.23 0.00 0.00 178.31 176.50 3niu n GLY 457 N 1.30 0.11 3.61 0.00 0.00 -1.07 -5.04 105.19 104.09 3niu n GLY 457 Ca 0.17 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3niu n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3niu s LEU 458 N -2.55 2.95 0.63 0.99 1.43 0.03 -5.03 118.68 117.13 3niu s LEU 458 Ca 0.05 -0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 52.00 3niu s LEU 458 Cb -0.02 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3niu s LEU 458 CO 0.06 -0.17 1.28 -0.94 0.23 0.00 0.00 176.35 176.81 3niu s SER 459 N -3.68 4.77 -0.44 2.29 1.04 -1.26 -4.06 113.70 112.35 3niu s SER 459 Ca 0.34 2.59 0.00 0.00 0.48 0.00 0.00 55.95 59.35 3niu s SER 459 Cb -0.01 -2.62 0.12 0.00 0.10 0.00 0.00 66.02 63.61 3niu s SER 459 CO 0.19 -1.89 0.21 -1.10 0.98 0.00 0.00 173.24 171.62 3niu s GLN 460 N -3.34 1.94 0.35 4.02 -0.21 -1.26 -4.75 119.66 116.41 3niu s GLN 460 Ca 0.81 -2.09 -0.28 0.00 0.02 0.00 0.00 55.36 53.82 3niu s GLN 460 Cb -0.36 -3.46 -0.11 0.00 1.00 0.00 0.00 33.01 30.08 3niu s GLN 460 CO 0.39 -1.06 1.39 -2.14 -2.12 0.00 0.00 175.29 171.75 3niu s PRO 461 N 0.64 4.25 -0.01 2.91 0.02 -1.26 -4.93 135.00 136.62 3niu s PRO 461 Ca 0.12 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.53 3niu s PRO 461 Cb -0.22 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 3niu s PRO 461 CO -0.05 -0.34 0.02 1.63 -0.33 0.00 0.00 177.00 177.94 3niu n LYS 462 N 0.66 1.74 -4.18 5.54 4.76 -1.26 -4.56 118.16 120.86 3niu n LYS 462 Ca 0.00 -0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 3niu n LYS 462 Cb 0.41 -1.04 -0.08 0.00 -1.84 0.00 0.00 35.03 32.48 3niu n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3niu s THR 463 N -2.09 2.38 0.16 -0.18 -4.23 -1.26 -4.61 115.64 105.81 3niu s THR 463 Ca -0.01 -1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 58.61 3niu s THR 463 Cb 0.01 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3niu s THR 463 CO 0.07 -0.04 1.79 0.25 -0.54 0.00 0.00 174.62 176.16 3niu h LEU 464 N 1.50 0.57 -0.84 4.79 5.85 -1.98 -1.58 115.31 123.63 3niu h LEU 464 Ca -0.43 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 3niu h LEU 464 Cb 1.25 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3niu h LEU 464 CO 0.70 0.45 0.10 0.11 -0.34 0.00 0.00 178.44 179.46 3niu h LYS 465 N 0.63 0.97 -0.56 1.25 1.57 -1.98 0.19 116.57 118.65 3niu h LYS 465 Ca 0.17 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3niu h LYS 465 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3niu h LYS 465 CO -0.03 0.90 0.11 0.78 -0.57 0.00 0.00 179.45 180.63 3niu h GLY 466 N 1.03 0.94 1.70 3.86 0.00 -1.92 -1.54 103.07 107.14 3niu h GLY 466 Ca 0.19 -0.57 -0.22 0.00 0.00 0.00 0.00 47.33 46.73 3niu h GLY 466 CO 0.01 0.53 -0.94 -2.00 0.00 0.00 0.00 176.54 174.14 3niu h LEU 467 N 0.84 0.35 -1.41 3.11 5.85 -0.97 -3.05 115.31 120.03 3niu h LEU 467 Ca 0.18 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3niu h LEU 467 Cb 0.34 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3niu h LEU 467 CO 0.00 1.12 -0.16 1.56 -0.34 0.00 0.00 178.44 180.62 3niu h GLN 468 N 0.14 0.19 -0.04 1.25 4.20 -0.36 -0.58 115.11 119.91 3niu h GLN 468 Ca -0.06 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.37 3niu h GLN 468 Cb 1.59 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.36 3niu h GLN 468 CO 0.15 0.36 -0.92 0.00 -0.67 0.00 0.00 178.83 177.75 3niu h ALA 469 N 1.66 0.31 0.06 3.87 0.00 -1.31 -1.47 119.26 122.37 3niu h ALA 469 Ca 0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 3niu h ALA 469 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3niu h ALA 469 CO 0.02 0.74 -0.03 0.28 0.00 0.00 0.00 179.25 180.27 3niu h VAL 470 N 0.35 1.28 0.00 0.00 2.07 -1.38 -3.28 116.25 115.29 3niu h VAL 470 Ca -0.08 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3niu h VAL 470 Cb 1.55 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3niu h VAL 470 CO 0.17 0.31 0.00 -0.07 0.02 0.00 0.00 177.57 178.00 3niu h LEU 471 N -0.66 0.00 -0.22 2.57 3.38 -1.23 -3.41 115.31 115.74 3niu h LEU 471 Ca -0.01 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.52 3niu h LEU 471 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3niu h LEU 471 CO 0.01 0.00 -0.67 0.29 0.09 0.00 0.00 178.44 178.16 3niu n LYS 472 N -2.39 -4.72 -3.45 1.13 5.02 -0.56 -4.45 118.16 108.74 3niu n LYS 472 Ca 0.05 0.60 -0.05 0.00 -2.02 0.00 0.00 58.31 56.89 3niu n LYS 472 Cb 0.42 -5.43 -0.06 0.00 -0.02 0.00 0.00 35.03 29.94 3niu n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3niu s ASN 473 N -3.03 -0.51 0.13 4.39 3.84 -1.20 -5.06 114.94 113.51 3niu s ASN 473 Ca 0.54 0.83 -0.12 0.00 0.21 0.00 0.00 52.86 54.32 3niu s ASN 473 Cb -0.27 1.62 -0.04 0.00 -0.55 0.00 0.00 41.25 42.01 3niu s ASN 473 CO 0.66 -0.26 1.48 0.11 -2.79 0.00 0.00 177.10 176.30 3niu h LYS 474 N 8.11 0.89 0.07 0.43 1.57 -1.93 -2.81 116.57 122.90 3niu h LYS 474 Ca -0.19 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3niu h LYS 474 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3niu h LYS 474 CO 0.19 1.09 -0.03 0.28 -0.57 0.00 0.00 179.45 180.41 3niu h VAL 475 N 0.70 1.20 -0.59 0.50 2.07 -1.98 -2.08 116.25 116.08 3niu h VAL 475 Ca 0.07 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.57 3niu h VAL 475 Cb 0.90 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 3niu h VAL 475 CO 0.08 0.26 0.35 0.25 0.02 0.00 0.00 177.57 178.52 3niu h LEU 476 N -0.58 0.54 -0.80 2.57 5.85 -1.94 0.26 115.31 121.22 3niu h LEU 476 Ca -0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3niu h LEU 476 Cb 0.49 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3niu h LEU 476 CO 0.02 0.37 0.20 0.00 -0.34 0.00 0.00 178.44 178.69 3niu h ALA 477 N 1.28 1.02 -0.41 1.25 0.00 -1.56 -1.03 119.26 119.81 3niu h ALA 477 Ca 0.25 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3niu h ALA 477 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3niu h ALA 477 CO -0.12 0.65 -0.33 -0.22 0.00 0.00 0.00 179.25 179.22 3niu h LYS 478 N 1.06 0.95 -0.07 0.00 3.64 -0.83 -2.45 116.57 118.87 3niu h LYS 478 Ca 0.23 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 59.04 3niu h LYS 478 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3niu h LYS 478 CO -0.00 1.13 -0.42 0.87 -2.27 0.00 0.00 179.45 178.76 3niu h LYS 479 N 0.79 0.15 -0.09 1.90 1.57 -0.30 -1.52 116.57 119.07 3niu h LYS 479 Ca 0.08 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3niu h LYS 479 Cb 0.92 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.24 3niu h LYS 479 CO 0.09 0.55 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.87 3niu h LEU 480 N 0.12 0.66 -0.94 2.94 3.38 -1.13 -3.17 115.31 117.17 3niu h LEU 480 Ca 0.01 -0.66 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 3niu h LEU 480 Cb 0.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3niu h LEU 480 CO 0.06 1.22 -0.30 -0.07 0.09 0.00 0.00 178.44 179.44 3niu h LEU 481 N 0.16 0.00 -1.23 1.67 3.38 -1.40 0.27 115.31 118.17 3niu h LEU 481 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3niu h LEU 481 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3niu h LEU 481 CO 0.12 0.30 -0.03 0.44 0.09 0.00 0.00 178.44 179.35 3niu h ASP 482 N 0.00 0.46 0.04 -0.43 5.19 -1.32 0.23 116.42 120.59 3niu h ASP 482 Ca -0.00 -0.09 -0.30 0.00 -0.62 0.00 0.00 57.03 56.02 3niu h ASP 482 Cb 0.86 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 3niu h ASP 482 CO 0.04 0.55 -1.65 0.18 -3.12 0.00 0.00 179.24 175.24 3niu n LEU 483 N -4.27 2.16 0.06 1.55 4.77 -1.05 -4.58 117.00 115.65 3niu n LEU 483 Ca 0.01 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 3niu n LEU 483 Cb 0.26 -1.01 0.03 0.00 -2.33 0.00 0.00 43.42 40.37 3niu n LEU 483 CO 0.39 0.51 0.01 -1.22 -1.33 0.00 0.00 177.39 175.75 3niu n TYR 484 N -4.07 0.57 0.00 -1.77 4.01 0.94 -4.36 117.16 112.48 3niu n TYR 484 Ca -0.34 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3niu n TYR 484 Cb 0.83 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3niu n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3niu n LYS 485 N -2.29 0.00 -3.57 -0.72 4.76 0.79 -4.72 118.16 112.42 3niu n LYS 485 Ca 0.01 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.28 3niu n LYS 485 Cb 0.49 -2.91 -0.07 0.00 -1.84 0.00 0.00 35.03 30.70 3niu n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3niu s THR 486 N -0.97 0.01 -0.65 -0.18 -1.32 -1.26 -5.00 115.64 106.26 3niu s THR 486 Ca 0.00 -0.06 0.20 0.00 -1.21 0.00 0.00 61.69 60.63 3niu s THR 486 Cb 0.00 -0.94 0.20 0.00 -1.51 0.00 0.00 72.50 70.25 3niu s THR 486 CO 0.00 -0.03 1.62 -2.65 -2.21 0.00 0.00 174.62 171.35 3niu n PRO 487 N 1.29 0.13 0.18 7.08 -0.02 -1.26 -3.11 135.00 139.28 3niu n PRO 487 Ca -0.18 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 3niu n PRO 487 Cb 0.57 -1.75 0.32 0.00 -0.02 0.00 0.00 33.50 32.62 3niu n PRO 487 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3niu h ASP 488 N 0.00 0.00 0.11 2.55 3.32 -1.93 -3.28 116.42 117.19 3niu h ASP 488 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3niu h ASP 488 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3niu h ASP 488 CO 0.00 0.42 -0.88 0.59 -1.72 0.00 0.00 179.24 177.66 3niu n ASN 489 N -3.96 0.91 -4.68 6.45 3.02 -1.18 -3.87 115.26 111.95 3niu n ASN 489 Ca -0.02 -0.85 -0.46 0.00 -0.03 0.00 0.00 54.58 53.23 3niu n ASN 489 Cb 0.46 0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 40.41 3niu n ASN 489 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3niu n ILE 490 N -1.46 0.41 -1.83 2.41 5.41 -1.24 -4.81 119.36 118.24 3niu n ILE 490 Ca 0.04 -0.07 -0.41 0.00 1.00 0.00 0.00 62.75 63.31 3niu n ILE 490 Cb 0.33 -1.88 -0.01 0.00 -0.71 0.00 0.00 39.64 37.37 3niu n ILE 490 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3niu s ASP 491 N 3.02 6.42 0.28 4.38 1.01 -1.26 -0.78 116.67 129.75 3niu s ASP 491 Ca 0.87 2.92 0.02 0.00 0.71 0.00 0.00 52.55 57.07 3niu s ASP 491 Cb -0.62 -2.64 0.65 0.00 1.01 0.00 0.00 42.92 41.32 3niu s ASP 491 CO 0.44 -0.86 1.72 -0.29 0.21 0.00 0.00 175.17 176.40 3niu h ILE 492 N 3.29 0.58 0.12 0.77 6.09 -1.87 -0.69 117.51 125.79 3niu h ILE 492 Ca -0.48 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 3niu h ILE 492 Cb 1.22 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.55 3niu h ILE 492 CO 0.75 0.09 -0.12 -0.25 -3.07 0.00 0.00 178.15 175.55 3niu h TRP 493 N 0.49 -0.31 -0.03 2.19 7.01 -1.91 -0.46 115.95 122.94 3niu h TRP 493 Ca 0.52 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 61.36 3niu h TRP 493 Cb 0.90 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3niu h TRP 493 CO -0.12 -0.19 -0.72 0.97 -2.79 0.00 0.00 178.44 175.60 3niu h ILE 494 N -0.26 1.45 0.06 2.65 6.09 -1.79 -2.98 117.51 122.72 3niu h ILE 494 Ca 0.01 -2.29 -0.00 0.00 -1.37 0.00 0.00 64.86 61.20 3niu h ILE 494 Cb 0.26 2.23 0.00 0.00 0.47 0.00 0.00 36.82 39.77 3niu h ILE 494 CO -0.04 0.67 -0.03 1.23 -3.07 0.00 0.00 178.15 176.91 3niu h GLY 495 N 1.75 -0.09 1.01 8.18 0.00 -1.00 -2.74 103.07 110.17 3niu h GLY 495 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3niu h GLY 495 CO 0.11 -0.03 0.46 -1.33 0.00 0.00 0.00 176.54 175.75 3niu h GLY 496 N -0.41 1.04 2.00 4.60 0.00 -1.15 -3.00 103.07 106.15 3niu h GLY 496 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3niu h GLY 496 CO 0.01 0.40 0.00 0.70 0.00 0.00 0.00 176.54 177.66 3niu n ASN 497 N -4.55 0.66 0.18 0.19 4.13 -1.13 -3.28 115.26 111.46 3niu n ASN 497 Ca 0.07 0.57 0.10 0.00 1.68 0.00 0.00 54.58 57.00 3niu n ASN 497 Cb 0.04 -0.74 0.10 0.00 -1.54 0.00 0.00 39.78 37.64 3niu n ASN 497 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3niu h ALA 498 N 2.57 0.84 -2.88 5.41 0.00 -1.33 -3.46 119.26 120.41 3niu h ALA 498 Ca 0.00 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 3niu h ALA 498 Cb 0.66 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.51 3niu h ALA 498 CO 0.00 0.13 0.63 -1.21 0.00 0.00 0.00 179.25 178.80 3niu s GLU 499 N -3.19 4.37 0.45 0.00 2.02 -1.21 -4.87 118.70 116.27 3niu s GLU 499 Ca 0.05 2.19 -0.25 0.00 0.02 0.00 0.00 54.97 56.97 3niu s GLU 499 Cb 0.06 -3.08 -0.08 0.00 0.10 0.00 0.00 34.13 31.13 3niu s GLU 499 CO 0.71 -0.16 1.41 -2.14 0.02 0.00 0.00 175.26 175.10 3niu s PRO 500 N -1.77 3.70 0.47 0.39 0.02 -1.26 -4.35 135.00 132.20 3niu s PRO 500 Ca 0.49 2.38 -0.24 0.00 0.02 0.00 0.00 61.00 63.64 3niu s PRO 500 Cb -0.39 -2.65 -0.07 0.00 0.02 0.00 0.00 34.50 31.41 3niu s PRO 500 CO 0.52 -0.80 1.37 -1.64 -0.33 0.00 0.00 177.00 176.12 3niu s MET 501 N -2.45 3.57 0.97 5.54 -1.94 -1.26 -4.17 119.30 119.56 3niu s MET 501 Ca 0.61 2.28 -0.12 0.00 -1.71 0.00 0.00 55.69 56.75 3niu s MET 501 Cb -0.43 -2.54 0.17 0.00 2.01 0.00 0.00 34.83 34.05 3niu s MET 501 CO 0.55 -0.86 1.09 0.14 -0.01 0.00 0.00 175.02 175.93 3niu s VAL 502 N -1.26 2.31 0.00 -6.03 -7.23 -0.52 -4.89 120.40 102.79 3niu s VAL 502 Ca 0.64 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.61 3niu s VAL 502 Cb -0.41 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 33.93 3niu s VAL 502 CO 0.51 -0.13 1.46 -0.70 -0.31 0.00 0.00 175.10 175.93 3niu s GLU 503 N -4.90 4.26 -1.04 4.82 2.12 -1.26 -2.40 118.70 120.30 3niu s GLU 503 Ca 0.65 2.03 0.00 0.00 0.36 0.00 0.00 54.97 58.01 3niu s GLU 503 Cb -0.19 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.59 3niu s GLU 503 CO 0.58 -0.63 0.00 0.54 -0.54 0.00 0.00 175.26 175.21 3niu n ARG 504 N 5.57 -1.05 -2.50 4.30 1.74 -1.26 -1.68 116.66 121.79 3niu n ARG 504 Ca 0.14 0.80 -0.06 0.00 -0.77 0.00 0.00 57.85 57.96 3niu n ARG 504 Cb 0.43 -4.85 -0.01 0.00 -1.02 0.00 0.00 32.46 27.01 3niu n ARG 504 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3niu n GLY 505 N -1.04 4.06 0.08 -0.13 0.00 -1.01 -3.91 105.19 103.23 3niu n GLY 505 Ca -0.10 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.74 3niu n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3niu n ARG 506 N -0.23 0.67 -4.24 1.61 5.12 0.73 -4.70 116.66 115.62 3niu n ARG 506 Ca -0.03 -0.88 -0.16 0.00 -1.93 0.00 0.00 57.85 54.85 3niu n ARG 506 Cb 0.12 -0.65 -0.10 0.00 -1.16 0.00 0.00 32.46 30.67 3niu n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3niu s VAL 507 N -0.34 1.22 1.00 1.55 -7.23 -1.22 -4.96 120.40 110.41 3niu s VAL 507 Ca 0.02 -1.89 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 3niu s VAL 507 Cb 0.01 -1.68 0.23 0.00 0.56 0.00 0.00 36.38 35.50 3niu s VAL 507 CO 0.00 -0.60 1.35 -0.83 -0.31 0.00 0.00 175.10 174.71 3niu s GLY 508 N -2.83 1.82 0.22 2.32 0.00 -1.26 -1.44 107.32 106.15 3niu s GLY 508 Ca 0.13 -1.31 -0.08 0.00 0.00 0.00 0.00 44.72 43.46 3niu s GLY 508 CO 0.02 -0.48 1.71 -2.55 0.00 0.00 0.00 173.10 171.80 3niu h PRO 509 N -1.78 0.30 0.02 2.90 0.11 -1.91 -0.35 132.00 131.29 3niu h PRO 509 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3niu h PRO 509 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3niu h PRO 509 CO 0.32 0.20 -0.01 1.25 -0.21 0.00 0.00 178.00 179.55 3niu h LEU 510 N 0.31 -0.03 -0.68 2.35 5.85 -1.94 -2.77 115.31 118.41 3niu h LEU 510 Ca 0.34 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3niu h LEU 510 Cb 0.51 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3niu h LEU 510 CO -0.40 0.31 0.34 -0.07 -0.34 0.00 0.00 178.44 178.28 3niu h LEU 511 N -0.36 0.88 -1.37 2.25 3.38 -1.79 -1.55 115.31 116.75 3niu h LEU 511 Ca -0.00 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.98 3niu h LEU 511 Cb 0.34 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3niu h LEU 511 CO 0.01 0.75 0.55 0.00 0.09 0.00 0.00 178.44 179.83 3niu h ALA 512 N 1.16 1.88 0.15 1.53 0.00 -1.07 0.19 119.26 123.11 3niu h ALA 512 Ca 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3niu h ALA 512 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3niu h ALA 512 CO -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.05 3niu h LEU 514 N -0.80 -0.13 -0.37 0.00 3.38 -0.85 0.13 115.31 116.68 3niu h LEU 514 Ca -0.02 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3niu h LEU 514 Cb 0.53 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3niu h LEU 514 CO 0.03 -0.05 0.08 -0.07 0.09 0.00 0.00 178.44 178.52 3niu h LEU 515 N -0.02 0.58 -0.69 1.67 3.38 -0.77 -2.99 115.31 116.47 3niu h LEU 515 Ca 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3niu h LEU 515 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3niu h LEU 515 CO -0.12 0.67 0.31 1.23 0.09 0.00 0.00 178.44 180.63 3niu h GLY 516 N 0.45 1.07 0.99 0.83 0.00 -0.88 -2.05 103.07 103.49 3niu h GLY 516 Ca 0.11 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3niu h GLY 516 CO 0.00 0.52 0.31 3.21 0.00 0.00 0.00 176.54 180.58 3niu h ARG 517 N 0.96 0.72 0.12 4.80 3.08 -0.77 -2.87 114.38 120.42 3niu h ARG 517 Ca 0.23 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3niu h ARG 517 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3niu h ARG 517 CO -0.03 0.53 -0.06 0.37 -1.07 0.00 0.00 179.97 179.72 3niu h GLN 518 N 0.70 -0.16 -0.68 0.04 5.75 -1.35 -2.44 115.11 116.97 3niu h GLN 518 Ca 0.19 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3niu h GLN 518 Cb 0.00 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3niu h GLN 518 CO -0.03 0.19 0.43 0.74 -2.65 0.00 0.00 178.83 177.50 3niu h PHE 519 N -0.52 0.88 -0.16 3.99 0.04 -1.45 -0.88 116.94 118.83 3niu h PHE 519 Ca -0.02 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.77 3niu h PHE 519 Cb 0.42 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3niu h PHE 519 CO 0.04 0.57 0.09 0.37 -0.60 0.00 0.00 178.31 178.79 3niu h GLN 520 N 0.93 0.19 -0.29 1.51 4.15 -1.52 -2.57 115.11 117.51 3niu h GLN 520 Ca 0.25 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 3niu h GLN 520 Cb -0.07 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3niu h GLN 520 CO -0.05 0.13 0.16 1.96 -1.93 0.00 0.00 178.83 179.10 3niu h GLN 521 N 0.20 0.41 0.00 1.69 4.20 -0.80 0.16 115.11 120.96 3niu h GLN 521 Ca 0.06 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3niu h GLN 521 Cb -0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3niu h GLN 521 CO -0.03 0.36 -0.23 -0.84 -0.67 0.00 0.00 178.83 177.42 3niu h ILE 522 N 0.36 0.87 0.00 2.54 3.07 -1.22 0.25 117.51 123.38 3niu h ILE 522 Ca 0.10 -0.88 -0.00 0.00 1.55 0.00 0.00 64.86 65.64 3niu h ILE 522 Cb 0.07 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 3niu h ILE 522 CO -0.02 0.22 -0.00 -0.09 -1.05 0.00 0.00 178.15 177.22 3niu h ARG 523 N 0.00 -0.00 -0.02 0.16 1.12 -1.17 -3.17 114.38 111.30 3niu h ARG 523 Ca -0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 3niu h ARG 523 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.45 3niu h ARG 523 CO 0.03 0.82 -0.30 -0.44 -3.11 0.00 0.00 179.97 176.97 3niu h ASP 524 N -1.00 0.03 -0.53 -3.80 3.32 -0.62 -3.09 116.42 110.73 3niu h ASP 524 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3niu h ASP 524 Cb 0.82 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3niu h ASP 524 CO 0.00 0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.46 3niu n GLY 525 N -0.65 1.77 3.66 2.75 0.00 0.87 -1.68 105.19 111.91 3niu n GLY 525 Ca -0.02 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 3niu n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3niu s ASP 526 N -1.19 6.16 0.32 1.61 -1.08 -1.17 -4.67 116.67 116.65 3niu s ASP 526 Ca 0.41 0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.77 3niu s ASP 526 Cb 0.22 -2.13 0.43 0.00 -1.46 0.00 0.00 42.92 39.98 3niu s ASP 526 CO 0.30 0.03 1.61 -0.09 0.52 0.00 0.00 175.17 177.54 3niu h ARG 527 N 7.55 0.00 -0.58 4.34 2.43 -1.89 -3.22 114.38 123.01 3niu h ARG 527 Ca -0.37 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.71 3niu h ARG 527 Cb 1.17 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3niu h ARG 527 CO 0.66 0.48 0.09 1.19 -1.51 0.00 0.00 179.97 180.88 3niu n PHE 528 N -3.46 2.02 -1.69 2.20 3.01 -1.26 -4.90 117.46 113.38 3niu n PHE 528 Ca 0.00 -0.95 -0.42 0.00 1.01 0.00 0.00 57.45 57.09 3niu n PHE 528 Cb 0.61 -0.55 -0.00 0.00 -0.01 0.00 0.00 39.48 39.53 3niu n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 3niu n TRP 529 N 0.12 2.12 0.28 1.38 -0.00 -1.22 -4.87 117.44 115.25 3niu n TRP 529 Ca 0.32 0.55 0.13 0.00 -0.00 0.00 0.00 57.50 58.50 3niu n TRP 529 Cb 1.22 -2.39 0.80 0.00 -0.00 0.00 0.00 31.31 30.95 3niu n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 3niu h TRP 530 N 2.36 0.00 0.00 5.87 5.08 -1.94 -2.08 115.95 125.24 3niu h TRP 530 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3niu h TRP 530 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3niu h TRP 530 CO 0.49 0.06 -0.91 0.39 -1.28 0.00 0.00 178.44 177.19 3niu n GLU 531 N -3.82 0.23 -1.72 0.12 1.02 -1.26 -4.47 120.64 110.74 3niu n GLU 531 Ca -0.02 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 3niu n GLU 531 Cb 0.15 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3niu n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3niu s ASN 532 N -3.78 6.47 0.17 1.62 2.47 -0.79 -4.90 114.94 116.20 3niu s ASN 532 Ca 0.05 2.63 -0.34 0.00 0.42 0.00 0.00 52.86 55.63 3niu s ASN 532 Cb 0.15 -2.54 -0.15 0.00 -1.45 0.00 0.00 41.25 37.26 3niu s ASN 532 CO 0.78 -1.03 1.37 -2.65 -3.72 0.00 0.00 177.10 171.85 3niu n PRO 533 N 7.24 1.64 0.00 0.43 -0.02 -1.26 -2.19 135.00 140.84 3niu n PRO 533 Ca 0.19 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3niu n PRO 533 Cb 0.41 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3niu n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3niu n GLY 534 N 2.51 2.82 0.07 -1.23 0.00 -1.26 -4.90 105.19 103.19 3niu n GLY 534 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3niu n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3niu h VAL 535 N 0.00 1.64 -3.41 1.61 2.07 -1.76 -3.45 116.25 112.94 3niu h VAL 535 Ca 0.00 -1.89 -0.65 0.00 0.82 0.00 0.00 66.70 64.98 3niu h VAL 535 Cb 0.00 2.92 -0.20 0.00 -1.52 0.00 0.00 31.29 32.49 3niu h VAL 535 CO 0.00 0.49 -0.83 -0.36 0.02 0.00 0.00 177.57 176.89 3niu s PHE 536 N -3.01 2.24 0.81 1.57 0.40 -1.26 -5.12 117.98 113.61 3niu s PHE 536 Ca -0.18 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 3niu s PHE 536 Cb -0.01 -1.14 0.08 0.00 0.51 0.00 0.00 43.02 42.45 3niu s PHE 536 CO 0.69 0.43 1.09 0.95 0.70 0.00 0.00 175.22 179.08 3niu s THR 537 N -1.52 3.11 0.17 0.64 -4.23 -1.26 -4.87 115.64 107.67 3niu s THR 537 Ca 0.18 0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 3niu s THR 537 Cb -0.08 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.81 3niu s THR 537 CO 0.08 -0.47 1.84 -0.08 -0.54 0.00 0.00 174.62 175.45 3niu h GLU 538 N -1.17 0.67 -0.11 3.99 4.81 -2.01 -2.08 114.58 118.68 3niu h GLU 538 Ca -0.47 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 3niu h GLU 538 Cb 1.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3niu h GLU 538 CO 0.57 0.44 -0.14 0.87 -0.73 0.00 0.00 179.01 180.02 3niu h LYS 539 N 0.69 0.17 -0.49 1.92 1.57 -1.97 -2.42 116.57 116.05 3niu h LYS 539 Ca 0.19 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3niu h LYS 539 Cb -0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3niu h LYS 539 CO -0.04 0.32 -0.09 1.96 -0.57 0.00 0.00 179.45 181.03 3niu h GLN 540 N 0.17 0.92 -0.28 3.15 4.20 -1.73 -2.93 115.11 118.61 3niu h GLN 540 Ca 0.03 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.31 3niu h GLN 540 Cb 0.36 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3niu h GLN 540 CO 0.02 0.99 -0.24 0.00 -0.67 0.00 0.00 178.83 178.94 3niu h ARG 541 N 0.78 0.54 0.00 1.46 3.08 -1.03 -2.02 114.38 117.18 3niu h ARG 541 Ca 0.13 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3niu h ARG 541 Cb 0.64 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3niu h ARG 541 CO 0.04 0.74 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.12 3niu h ASP 542 N 0.47 0.00 0.13 7.04 3.32 -1.39 -2.40 116.42 123.60 3niu h ASP 542 Ca 0.07 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 3niu h ASP 542 Cb 0.67 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.24 3niu h ASP 542 CO 0.05 0.12 -0.83 0.28 -1.72 0.00 0.00 179.24 177.14 3niu h SER 543 N 0.00 0.50 0.92 6.45 0.02 -1.26 -3.37 113.55 116.82 3niu h SER 543 Ca -0.00 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.01 3niu h SER 543 Cb 0.42 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3niu h SER 543 CO 0.02 1.39 -0.00 -0.07 -1.14 0.00 0.00 176.83 177.03 3niu h LEU 544 N -0.32 0.00 -1.36 5.07 3.38 -1.08 -2.70 115.31 118.30 3niu h LEU 544 Ca -0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3niu h LEU 544 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 3niu h LEU 544 CO 0.16 0.00 -0.02 1.56 0.09 0.00 0.00 178.44 180.23 3niu h GLN 545 N 0.00 0.00 -0.17 1.13 4.20 -1.59 -3.13 115.11 115.55 3niu h GLN 545 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3niu h GLN 545 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3niu h GLN 545 CO 0.00 0.02 0.00 1.63 -0.67 0.00 0.00 178.83 179.81 3niu n LYS 546 N -3.12 2.09 -2.20 1.46 5.02 -1.02 -4.94 118.16 115.46 3niu n LYS 546 Ca 0.01 -1.62 -0.35 0.00 -2.02 0.00 0.00 58.31 54.33 3niu n LYS 546 Cb 0.33 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3niu n LYS 546 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3niu s VAL 547 N -1.80 3.20 0.10 -0.18 -7.23 -1.18 -4.71 120.40 108.59 3niu s VAL 547 Ca 0.34 0.72 -0.13 0.00 -1.81 0.00 0.00 61.98 61.10 3niu s VAL 547 Cb 0.20 -3.27 0.02 0.00 0.56 0.00 0.00 36.38 33.89 3niu s VAL 547 CO 0.30 -0.19 0.31 -0.94 -0.31 0.00 0.00 175.10 174.28 3niu s SER 548 N -1.89 -0.09 0.43 4.85 1.04 -1.26 -4.97 113.70 111.81 3niu s SER 548 Ca 0.72 -0.43 0.18 0.00 0.48 0.00 0.00 55.95 56.90 3niu s SER 548 Cb -0.23 0.41 0.98 0.00 0.10 0.00 0.00 66.02 67.28 3niu s SER 548 CO 0.29 -0.78 1.91 0.15 0.98 0.00 0.00 173.24 175.78 3niu h PHE 549 N 2.58 0.00 -0.34 5.02 3.57 -1.97 -2.51 116.94 123.29 3niu h PHE 549 Ca -0.34 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.20 3niu h PHE 549 Cb 1.23 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 3niu h PHE 549 CO 0.37 0.27 0.13 0.77 -2.23 0.00 0.00 178.31 177.62 3niu h SER 550 N 0.00 0.15 -0.12 0.41 0.02 -1.90 -2.31 113.55 109.80 3niu h SER 550 Ca -0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3niu h SER 550 Cb 0.55 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3niu h SER 550 CO 0.03 0.12 -0.04 -0.09 -1.14 0.00 0.00 176.83 175.72 3niu h ARG 551 N 0.28 0.37 -0.47 3.45 9.65 -1.78 -1.85 114.38 124.02 3niu h ARG 551 Ca 0.15 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3niu h ARG 551 Cb 0.11 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 3niu h ARG 551 CO -0.14 0.44 0.28 1.25 2.80 0.00 0.00 179.97 184.59 3niu h LEU 552 N 0.36 0.57 -0.44 3.80 5.85 -1.12 -1.69 115.31 122.64 3niu h LEU 552 Ca 0.08 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3niu h LEU 552 Cb 0.31 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3niu h LEU 552 CO 0.01 0.47 0.21 0.40 -0.34 0.00 0.00 178.44 179.18 3niu h ILE 553 N 0.63 1.18 -0.72 4.05 2.04 -1.01 -2.68 117.51 121.00 3niu h ILE 553 Ca 0.17 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3niu h ILE 553 Cb 0.00 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3niu h ILE 553 CO -0.03 0.20 0.37 0.00 0.00 0.00 0.00 178.15 178.69 3niu h ASP 555 N 1.00 0.00 -0.00 0.00 3.32 -1.31 -3.38 116.42 116.05 3niu h ASP 555 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3niu h ASP 555 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3niu h ASP 555 CO -0.04 0.27 -0.01 0.59 -1.72 0.00 0.00 179.24 178.34 3niu n ASN 556 N -3.18 0.76 -4.25 6.45 3.02 -1.01 -5.03 115.26 112.02 3niu n ASN 556 Ca 0.03 -0.88 -0.26 0.00 -0.03 0.00 0.00 54.58 53.44 3niu n ASN 556 Cb 0.63 0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 40.01 3niu n ASN 556 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3niu s THR 557 N -0.36 0.76 -0.31 3.41 -4.23 -0.39 -4.98 115.64 109.54 3niu s THR 557 Ca 0.01 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.62 3niu s THR 557 Cb 0.01 -2.39 0.73 0.00 1.34 0.00 0.00 72.50 72.19 3niu s THR 557 CO 0.01 0.00 1.77 1.41 -0.54 0.00 0.00 174.62 177.28 3niu n HIS 558 N -0.93 2.30 -2.86 3.99 8.25 -1.26 -4.81 115.22 119.90 3niu n HIS 558 Ca -0.07 -1.18 -0.41 0.00 -0.26 0.00 0.00 57.72 55.80 3niu n HIS 558 Cb 0.65 -0.65 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3niu n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3niu s ILE 559 N -2.99 4.73 -0.13 1.59 1.01 -1.26 -4.97 121.20 119.19 3niu s ILE 559 Ca 0.54 1.83 0.07 0.00 0.00 0.00 0.00 60.65 63.09 3niu s ILE 559 Cb 0.43 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 3niu s ILE 559 CO 0.13 0.29 0.21 0.35 0.00 0.00 0.00 174.94 175.92 3niu n THR 560 N 3.16 0.00 -3.93 2.92 -2.24 -1.26 -4.62 114.28 108.31 3niu n THR 560 Ca 0.01 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 3niu n THR 560 Cb 0.50 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 3niu n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3niu s LYS 561 N -2.20 2.99 0.06 -0.78 -0.14 -1.26 -1.89 119.74 116.52 3niu s LYS 561 Ca -0.01 -0.88 0.02 0.00 -1.36 0.00 0.00 55.97 53.75 3niu s LYS 561 Cb 0.05 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 3niu s LYS 561 CO 0.30 -0.35 -0.08 0.14 -0.76 0.00 0.00 175.35 174.60 3niu s VAL 562 N 1.38 0.62 0.52 3.17 -7.23 -0.36 -4.85 120.40 113.65 3niu s VAL 562 Ca 0.02 -1.36 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 3niu s VAL 562 Cb -0.16 -0.96 -0.07 0.00 0.56 0.00 0.00 36.38 35.75 3niu s VAL 562 CO -0.04 -0.52 0.96 -2.84 -0.31 0.00 0.00 175.10 172.34 3niu s PRO 563 N -2.28 3.85 0.13 4.82 0.02 -1.26 -1.02 135.00 139.25 3niu s PRO 563 Ca -0.03 0.83 -0.03 0.00 0.02 0.00 0.00 61.00 61.79 3niu s PRO 563 Cb -0.05 -2.17 -0.11 0.00 0.02 0.00 0.00 34.50 32.19 3niu s PRO 563 CO -0.01 -0.29 1.29 -0.07 -0.33 0.00 0.00 177.00 177.59 3niu h LEU 564 N 0.73 0.47 -7.61 -5.54 3.38 -1.96 -3.39 115.31 101.38 3niu h LEU 564 Ca -0.46 -0.39 -0.67 0.00 0.09 0.00 0.00 57.88 56.44 3niu h LEU 564 Cb 1.19 -0.14 -0.38 0.00 0.09 0.00 0.00 40.66 41.41 3niu h LEU 564 CO 0.62 1.21 -0.58 -1.00 0.09 0.00 0.00 178.44 178.78 3niu s HIS 565 N -3.15 3.49 -0.53 1.13 3.76 -1.26 -4.89 115.29 113.84 3niu s HIS 565 Ca -0.05 -2.86 0.26 0.00 -0.15 0.00 0.00 55.06 52.26 3niu s HIS 565 Cb 0.09 -3.03 0.75 0.00 1.11 0.00 0.00 32.58 31.50 3niu s HIS 565 CO 0.86 -0.88 1.74 0.00 -0.85 0.00 0.00 174.74 175.62 3niu h ALA 566 N 7.29 1.00 -0.01 -1.40 0.00 -2.00 -3.20 119.26 120.94 3niu h ALA 566 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3niu h ALA 566 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3niu h ALA 566 CO 0.65 0.00 -0.10 1.19 0.00 0.00 0.00 179.25 180.99 3niu n PHE 567 N -2.59 0.00 -4.01 0.00 3.72 -1.26 -4.66 117.46 108.66 3niu n PHE 567 Ca 0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 3niu n PHE 567 Cb 0.42 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.81 3niu n PHE 567 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3niu s GLN 568 N -2.28 2.47 -0.15 -1.08 -2.07 -1.21 -2.82 119.66 112.51 3niu s GLN 568 Ca 0.33 -1.49 -0.29 0.00 -1.82 0.00 0.00 55.36 52.09 3niu s GLN 568 Cb 0.20 -2.26 -0.04 0.00 -1.09 0.00 0.00 33.01 29.83 3niu s GLN 568 CO 0.43 0.09 1.65 0.00 -1.32 0.00 0.00 175.29 176.14 3niu s ALA 569 N -2.40 3.40 0.07 2.60 0.00 -1.19 -3.87 121.76 120.36 3niu s ALA 569 Ca 0.39 0.66 0.09 0.00 0.00 0.00 0.00 51.96 53.10 3niu s ALA 569 Cb -0.03 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 3niu s ALA 569 CO 0.24 -1.75 -0.21 -0.80 0.00 0.00 0.00 175.76 173.24 3niu s ASN 570 N 3.99 3.60 -0.03 0.00 -0.87 -1.26 -4.95 114.94 115.42 3niu s ASN 570 Ca 0.73 -0.54 0.08 0.00 -1.57 0.00 0.00 52.86 51.55 3niu s ASN 570 Cb -0.28 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.25 40.46 3niu s ASN 570 CO 0.29 0.23 -0.26 0.20 -2.57 0.00 0.00 177.10 174.99 3niu s ASN 571 N -1.64 3.06 0.09 -1.22 0.01 -1.26 -4.70 114.94 109.28 3niu s ASN 571 Ca 0.15 -0.48 -0.21 0.00 -0.71 0.00 0.00 52.86 51.61 3niu s ASN 571 Cb -0.10 -0.45 -0.07 0.00 0.41 0.00 0.00 41.25 41.04 3niu s ASN 571 CO 0.06 0.31 0.63 -0.47 -1.51 0.00 0.00 177.10 176.12 3niu s TYR 572 N -0.52 3.83 -1.27 2.20 5.04 -1.26 -1.73 117.35 123.63 3niu s TYR 572 Ca 0.07 1.37 0.24 0.00 -2.44 0.00 0.00 57.07 56.32 3niu s TYR 572 Cb -0.11 -2.59 0.34 0.00 0.35 0.00 0.00 41.96 39.95 3niu s TYR 572 CO -0.00 0.54 1.30 -0.35 -1.34 0.00 0.00 175.55 175.70 3niu n PRO 573 N 1.78 0.31 0.11 4.97 -0.04 -1.26 -4.96 135.00 135.91 3niu n PRO 573 Ca -0.09 -0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.04 3niu n PRO 573 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 3niu n PRO 573 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3niu h HIS 574 N 0.52 -0.60 0.00 0.54 2.76 -1.97 -2.71 115.15 113.70 3niu h HIS 574 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3niu h HIS 574 Cb 0.53 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.74 3niu h HIS 574 CO 0.00 -0.32 0.00 -0.25 -1.30 0.00 0.00 177.93 176.06 3niu n ASP 575 N -5.35 0.00 -4.80 3.26 8.00 -0.71 -4.82 116.55 112.14 3niu n ASP 575 Ca -0.07 0.28 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 3niu n ASP 575 Cb 0.26 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3niu n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3niu s PHE 576 N -2.85 3.58 0.20 1.24 0.40 -1.02 -4.30 117.98 115.23 3niu s PHE 576 Ca 0.18 0.71 0.06 0.00 -0.60 0.00 0.00 56.93 57.29 3niu s PHE 576 Cb 0.19 -2.23 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 3niu s PHE 576 CO 0.49 0.49 -0.11 0.14 0.70 0.00 0.00 175.22 176.92 3niu s VAL 577 N -0.39 1.53 0.65 -0.44 -7.23 -0.19 -4.87 120.40 109.46 3niu s VAL 577 Ca 0.19 -2.15 -0.18 0.00 -1.81 0.00 0.00 61.98 58.03 3niu s VAL 577 Cb -0.14 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3niu s VAL 577 CO 0.07 -0.58 1.25 -0.62 -0.31 0.00 0.00 175.10 174.91 3niu s ASP 578 N -3.29 4.70 0.64 4.85 2.15 -1.26 -1.22 116.67 123.24 3niu s ASP 578 Ca 0.22 2.51 0.37 0.00 0.43 0.00 0.00 52.55 56.08 3niu s ASP 578 Cb 0.01 -2.61 2.08 0.00 -0.30 0.00 0.00 42.92 42.11 3niu s ASP 578 CO 0.06 -1.93 2.25 0.00 -0.17 0.00 0.00 175.17 175.38 3niu h SER 580 N 0.00 0.00 0.49 0.00 4.64 -1.90 -2.16 113.55 114.62 3niu h SER 580 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3niu h SER 580 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3niu h SER 580 CO -0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.77 3niu n ALA 581 N -1.98 2.88 -2.69 5.18 0.00 -0.85 -4.82 120.51 118.23 3niu n ALA 581 Ca 0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 3niu n ALA 581 Cb 0.27 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 3niu n ALA 581 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3niu s VAL 582 N -2.68 5.31 0.25 0.00 1.01 -0.81 -5.05 120.40 118.43 3niu s VAL 582 Ca 0.22 0.43 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 3niu s VAL 582 Cb 0.19 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 3niu s VAL 582 CO 0.54 0.34 1.53 0.47 0.00 0.00 0.00 175.10 177.98 3niu n ASP 583 N 4.03 3.33 -4.90 3.32 8.00 -1.26 -5.00 116.55 124.07 3niu n ASP 583 Ca -0.12 1.13 -0.28 0.00 0.71 0.00 0.00 54.79 56.22 3niu n ASP 583 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3niu n ASP 583 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3niu s LYS 584 N -0.14 3.56 -0.37 -1.24 1.02 -1.26 -4.82 119.74 116.49 3niu s LYS 584 Ca 0.68 0.35 -0.25 0.00 0.02 0.00 0.00 55.97 56.77 3niu s LYS 584 Cb -0.58 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3niu s LYS 584 CO 0.46 -0.30 0.88 -1.17 -0.92 0.00 0.00 175.35 174.30 3niu s LEU 585 N -4.86 4.04 -0.21 3.17 2.96 -1.26 -4.83 118.68 117.69 3niu s LEU 585 Ca 0.49 0.49 -0.25 0.00 -0.22 0.00 0.00 54.13 54.65 3niu s LEU 585 Cb -0.10 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.39 3niu s LEU 585 CO 0.47 -0.82 0.83 -0.62 -1.32 0.00 0.00 176.35 174.90 3niu s ASP 586 N 1.88 6.89 -0.09 3.68 -1.08 -1.26 -4.93 116.67 121.75 3niu s ASP 586 Ca 0.36 1.10 0.17 0.00 -0.52 0.00 0.00 52.55 53.66 3niu s ASP 586 Cb -0.12 -2.45 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 3niu s ASP 586 CO 0.18 -0.47 1.53 0.18 0.52 0.00 0.00 175.17 177.12 3niu n LEU 587 N 5.68 4.27 -0.21 -1.34 4.77 -1.26 -4.61 117.00 124.30 3niu n LEU 587 Ca 0.05 -2.40 -0.00 0.00 -0.03 0.00 0.00 56.01 53.63 3niu n LEU 587 Cb 0.48 -0.51 0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3niu n LEU 587 CO 0.48 0.80 1.00 0.28 -1.33 0.00 0.00 177.39 178.62 3niu h SER 588 N 3.47 0.27 0.14 -1.43 0.02 -1.99 -2.28 113.55 111.75 3niu h SER 588 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3niu h SER 588 Cb 1.28 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3niu h SER 588 CO 0.17 0.16 0.00 -2.65 -1.14 0.00 0.00 176.83 173.37 3niu n PRO 589 N -4.97 0.24 0.00 3.45 -0.02 -1.26 -1.70 135.00 130.74 3niu n PRO 589 Ca 0.09 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3niu n PRO 589 Cb 0.26 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.59 3niu n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3niu n TRP 590 N -1.18 0.00 -2.46 6.00 8.01 -0.86 -4.85 117.44 122.09 3niu n TRP 590 Ca 0.07 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.83 3niu n TRP 590 Cb 0.08 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.31 29.18 3niu n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3niu s ALA 591 N -2.69 3.53 0.03 6.99 0.00 -0.69 -4.93 121.76 124.00 3niu s ALA 591 Ca 0.20 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3niu s ALA 591 Cb 0.19 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3niu s ALA 591 CO 0.58 -1.44 -0.11 0.45 0.00 0.00 0.00 175.76 175.25 3niu s SER 592 N 2.22 4.34 0.03 0.00 0.15 -1.26 -5.12 113.70 114.06 3niu s SER 592 Ca 0.54 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.99 3niu s SER 592 Cb -0.18 -0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 63.21 3niu s SER 592 CO 0.17 0.26 -0.21 -0.13 1.20 0.00 0.00 173.24 174.53 3niu s ARG 593 N -1.56 1.53 0.02 5.44 1.81 -1.26 -4.96 118.95 119.97 3niu s ARG 593 Ca 0.17 -0.90 -0.07 0.00 -1.72 0.00 0.00 55.73 53.21 3niu s ARG 593 Cb -0.11 -1.60 -0.03 0.00 -0.45 0.00 0.00 34.95 32.77 3niu s ARG 593 CO 0.08 0.42 1.11 1.05 -0.68 0.00 0.00 175.30 177.28 3niu h GLU 594 N 5.08 -0.12 0.00 3.54 4.11 -2.04 -3.57 114.58 121.59 3niu h GLU 594 Ca -0.42 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3niu h GLU 594 Cb 1.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3niu h GLU 594 CO 0.45 -0.08 0.00 0.09 0.07 0.00 0.00 179.01 179.54