#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d n GLY 8 N 0.00 2.99 3.82 0.00 0.00 -1.26 -5.04 105.19 105.70 1s4d n GLY 8 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1s4d n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 9 N 0.00 3.59 0.38 0.99 1.43 -1.26 -5.01 118.68 118.81 1s4d s LEU 9 Ca 0.00 1.72 -0.27 0.00 -1.03 0.00 0.00 54.13 54.55 1s4d s LEU 9 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 1s4d s LEU 9 CO 0.00 -0.86 1.32 -2.84 0.23 0.00 0.00 176.35 174.19 1s4d s PRO 10 N -3.98 4.11 0.42 1.29 0.02 -1.26 -5.00 135.00 130.60 1s4d s PRO 10 Ca 0.62 2.21 -0.24 0.00 0.02 0.00 0.00 61.00 63.61 1s4d s PRO 10 Cb -0.13 -2.88 -0.08 0.00 0.02 0.00 0.00 34.50 31.43 1s4d s PRO 10 CO 0.32 -0.39 1.10 0.00 -0.33 0.00 0.00 177.00 177.70 1s4d s ALA 11 N -1.21 3.04 -0.96 -1.55 0.00 -1.26 -4.98 121.76 114.84 1s4d s ALA 11 Ca 0.54 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 1s4d s ALA 11 Cb -0.39 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.45 1s4d s ALA 11 CO 0.51 -0.40 1.45 -1.17 0.00 0.00 0.00 175.76 176.15 1s4d s LEU 12 N -2.80 3.42 0.49 0.00 0.20 -1.26 -5.00 118.68 113.73 1s4d s LEU 12 Ca 0.60 -1.22 -0.23 0.00 0.69 0.00 0.00 54.13 53.97 1s4d s LEU 12 Cb -0.25 -2.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.88 1s4d s LEU 12 CO 0.31 -1.63 1.30 -1.61 -0.29 0.00 0.00 176.35 174.42 1s4d s GLU 13 N 5.23 3.51 0.55 1.98 2.02 -1.26 -4.74 118.70 125.99 1s4d s GLU 13 Ca 0.45 2.10 -0.19 0.00 0.02 0.00 0.00 54.97 57.35 1s4d s GLU 13 Cb -0.02 -2.42 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 1s4d s GLU 13 CO -0.05 -0.85 0.78 0.36 0.02 0.00 0.00 175.26 175.52 1s4d n LYS 14 N -0.60 0.81 -0.82 1.61 -0.00 -1.26 -2.31 118.16 115.58 1s4d n LYS 14 Ca 0.08 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1s4d n LYS 14 Cb 0.45 -1.94 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 1s4d n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1s4d n GLY 15 N 1.48 0.31 3.59 2.58 0.00 -0.23 -4.90 105.19 108.02 1s4d n GLY 15 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1s4d n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s4d s SER 16 N -2.23 4.30 -0.14 1.61 1.04 -0.98 -4.33 113.70 112.98 1s4d s SER 16 Ca 0.00 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1s4d s SER 16 Cb 0.00 -0.74 0.01 0.00 0.10 0.00 0.00 66.02 65.40 1s4d s SER 16 CO 0.00 0.07 -0.19 -0.69 0.98 0.00 0.00 173.24 173.41 1s4d s VAL 17 N -1.92 1.87 -0.15 5.02 1.01 -0.68 -1.82 120.40 123.72 1s4d s VAL 17 Ca 0.27 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1s4d s VAL 17 Cb -0.08 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1s4d s VAL 17 CO 0.17 0.51 0.23 0.26 0.00 0.00 0.00 175.10 176.27 1s4d s TRP 18 N 0.98 3.49 -0.48 5.22 0.52 -0.29 -1.91 118.94 126.46 1s4d s TRP 18 Ca -0.04 0.54 -0.14 0.00 0.02 0.00 0.00 56.10 56.48 1s4d s TRP 18 Cb -0.15 -2.22 0.09 0.00 -1.15 0.00 0.00 33.47 30.05 1s4d s TRP 18 CO -0.04 0.37 0.40 -0.51 0.02 0.00 0.00 176.95 177.19 1s4d s LEU 19 N 0.05 5.71 -0.08 2.99 1.02 -0.58 0.35 118.68 128.13 1s4d s LEU 19 Ca 0.14 -1.51 0.04 0.00 0.02 0.00 0.00 54.13 52.82 1s4d s LEU 19 Cb -0.13 -2.15 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 1s4d s LEU 19 CO 0.03 -0.69 -0.22 -0.69 0.02 0.00 0.00 176.35 174.80 1s4d s VAL 20 N 1.58 2.25 -0.07 -1.59 1.01 -0.15 -1.52 120.40 121.91 1s4d s VAL 20 Ca 0.04 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1s4d s VAL 20 Cb -0.26 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1s4d s VAL 20 CO 0.05 0.56 0.98 -0.83 0.00 0.00 0.00 175.10 175.86 1s4d s GLY 21 N 0.06 2.57 0.03 4.51 0.00 -0.71 -0.60 107.32 113.17 1s4d s GLY 21 Ca -0.09 0.42 0.26 0.00 0.00 0.00 0.00 44.72 45.30 1s4d s GLY 21 CO 0.06 1.80 1.52 0.00 0.00 0.00 0.00 173.10 176.48 1s4d n ALA 22 N 4.55 3.14 0.00 3.20 0.00 0.19 -4.58 120.51 127.02 1s4d n ALA 22 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s4d n ALA 22 Cb 0.50 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1s4d n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 23 N 1.47 -1.08 0.04 0.00 0.00 -0.42 -4.47 105.19 100.73 1s4d n GLY 23 Ca 0.05 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.54 1s4d n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s4d n PRO 24 N -1.00 0.06 0.00 1.61 -0.04 -1.21 -1.03 135.00 133.39 1s4d n PRO 24 Ca 0.00 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1s4d n PRO 24 Cb 0.00 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1s4d n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s4d n GLY 25 N 0.04 -0.38 3.69 0.55 0.00 -1.26 -4.76 105.19 103.08 1s4d n GLY 25 Ca 0.03 0.28 -0.53 0.00 0.00 0.00 0.00 46.02 45.80 1s4d n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4d n ASP 26 N 0.00 2.91 -4.76 1.61 -0.08 -0.36 -4.44 116.55 111.44 1s4d n ASP 26 Ca 0.00 1.03 -0.36 0.00 -1.51 0.00 0.00 54.79 53.94 1s4d n ASP 26 Cb 0.00 -1.26 0.03 0.00 2.34 0.00 0.00 41.12 42.22 1s4d n ASP 26 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1s4d s PRO 27 N 3.68 3.13 0.00 -0.67 0.04 -1.26 -2.05 135.00 137.87 1s4d s PRO 27 Ca 0.95 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1s4d s PRO 27 Cb -0.87 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1s4d s PRO 27 CO 0.58 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1s4d n GLY 28 N 0.51 1.37 0.36 0.56 0.00 -1.26 -4.66 105.19 102.06 1s4d n GLY 28 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1s4d n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 29 N 0.00 1.05 -4.71 0.99 4.77 -0.87 -4.88 117.00 113.35 1s4d n LEU 29 Ca 0.00 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.07 1s4d n LEU 29 Cb 0.00 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1s4d n LEU 29 CO 0.00 0.24 0.71 -0.76 -1.33 0.00 0.00 177.39 176.25 1s4d s LEU 30 N -1.26 4.35 1.02 2.23 1.43 -1.26 -4.45 118.68 120.74 1s4d s LEU 30 Ca 0.21 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1s4d s LEU 30 Cb 0.11 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.96 1s4d s LEU 30 CO 0.16 -0.30 1.08 0.42 0.23 0.00 0.00 176.35 177.94 1s4d s THR 31 N 1.15 2.24 0.29 5.49 -4.23 -1.26 -4.80 115.64 114.51 1s4d s THR 31 Ca 0.52 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 1s4d s THR 31 Cb -0.21 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.41 1s4d s THR 31 CO 0.27 -0.10 1.80 -0.07 -0.54 0.00 0.00 174.62 175.98 1s4d h LEU 32 N -2.05 0.67 -0.09 4.79 3.38 -1.98 -2.10 115.31 117.93 1s4d h LEU 32 Ca -0.54 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1s4d h LEU 32 Cb 1.31 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s4d h LEU 32 CO 0.52 0.73 0.05 0.45 0.09 0.00 0.00 178.44 180.29 1s4d h HIS 33 N 0.67 0.11 0.07 1.13 3.86 -1.98 -1.56 115.15 117.45 1s4d h HIS 33 Ca 0.14 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1s4d h HIS 33 Cb 0.40 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1s4d h HIS 33 CO 0.02 0.10 -0.41 0.00 0.86 0.00 0.00 177.93 178.49 1s4d h ALA 34 N 1.01 -0.70 -0.30 2.45 0.00 -1.77 0.16 119.26 120.11 1s4d h ALA 34 Ca 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1s4d h ALA 34 Cb 0.01 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1s4d h ALA 34 CO -0.01 -0.96 0.20 0.00 0.00 0.00 0.00 179.25 178.49 1s4d h ALA 35 N -0.09 1.88 0.00 0.00 0.00 -1.39 0.19 119.26 119.85 1s4d h ALA 35 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1s4d h ALA 35 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1s4d h ALA 35 CO -0.27 0.08 -0.61 -0.97 0.00 0.00 0.00 179.25 177.48 1s4d h ASN 36 N 0.33 0.00 0.70 0.00 -1.24 -0.55 -1.90 115.58 112.92 1s4d h ASN 36 Ca 0.12 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.90 1s4d h ASN 36 Cb 0.09 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1s4d h ASN 36 CO -0.03 0.61 -1.04 0.00 -1.29 0.00 0.00 177.43 175.69 1s4d h ALA 37 N 1.39 0.32 0.11 1.57 0.00 0.92 -3.33 119.26 120.24 1s4d h ALA 37 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1s4d h ALA 37 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1s4d h ALA 37 CO 0.08 1.02 -0.05 -0.07 0.00 0.00 0.00 179.25 180.23 1s4d h LEU 38 N 0.07 -0.12 0.00 0.00 -0.00 -0.56 -1.07 115.31 113.63 1s4d h LEU 38 Ca -0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1s4d h LEU 38 Cb 1.74 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 1s4d h LEU 38 CO 0.16 0.08 0.00 -2.11 -0.00 0.00 0.00 178.44 176.57 1s4d n ARG 39 N -5.07 0.80 0.00 1.13 1.85 -0.73 -3.50 116.66 111.15 1s4d n ARG 39 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1s4d n ARG 39 Cb 0.16 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1s4d n ARG 39 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1s4d n GLN 40 N -0.63 3.00 -2.11 2.89 7.27 -1.17 -4.38 117.38 122.25 1s4d n GLN 40 Ca 0.05 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.73 1s4d n GLN 40 Cb 0.02 -0.73 -0.01 0.00 2.41 0.00 0.00 30.24 31.93 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 41 N -1.01 3.24 0.05 1.69 0.00 -0.41 -4.93 121.76 120.39 1s4d s ALA 41 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1s4d s ALA 41 Cb 0.00 -3.46 -0.30 0.00 0.00 0.00 0.00 23.12 19.36 1s4d s ALA 41 CO 0.00 -0.75 1.09 -0.44 0.00 0.00 0.00 175.76 175.66 1s4d h ASP 42 N 2.70 0.84 -3.42 0.00 3.32 -1.45 -3.44 116.42 114.98 1s4d h ASP 42 Ca -0.49 -0.81 -0.18 0.00 0.02 0.00 0.00 57.03 55.57 1s4d h ASP 42 Cb 1.24 -0.27 -0.28 0.00 0.22 0.00 0.00 39.33 40.24 1s4d h ASP 42 CO 0.63 1.61 -0.44 0.54 -1.72 0.00 0.00 179.24 179.86 1s4d s VAL 43 N -2.87 -0.03 -0.24 -1.35 0.11 -1.12 -1.51 120.40 113.39 1s4d s VAL 43 Ca -0.09 0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1s4d s VAL 43 Cb 0.05 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1s4d s VAL 43 CO 0.93 0.05 -0.03 -0.63 -3.33 0.00 0.00 175.10 172.09 1s4d s ILE 44 N 1.08 3.36 -0.54 7.04 1.01 -0.20 -1.07 121.20 131.87 1s4d s ILE 44 Ca -0.08 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1s4d s ILE 44 Cb -0.09 -2.60 0.14 0.00 0.01 0.00 0.00 42.46 39.92 1s4d s ILE 44 CO -0.08 0.32 0.46 -0.69 0.00 0.00 0.00 174.94 174.96 1s4d s VAL 45 N 1.45 4.81 0.33 2.92 1.01 -0.00 -0.34 120.40 130.58 1s4d s VAL 45 Ca 0.04 -1.76 0.08 0.00 0.00 0.00 0.00 61.98 60.35 1s4d s VAL 45 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1s4d s VAL 45 CO -0.03 -0.85 0.16 -1.38 0.00 0.00 0.00 175.10 173.01 1s4d s HIS 46 N 1.31 2.76 0.56 5.22 -0.00 -0.79 -0.94 115.29 123.42 1s4d s HIS 46 Ca 0.06 -0.35 -0.03 0.00 -0.00 0.00 0.00 55.06 54.75 1s4d s HIS 46 Cb -0.26 -1.63 0.02 0.00 -0.00 0.00 0.00 32.58 30.70 1s4d s HIS 46 CO 0.00 0.33 0.83 -0.51 -0.00 0.00 0.00 174.74 175.39 1s4d s ASP 47 N -3.86 5.46 -0.51 7.38 -0.00 -0.99 -2.12 116.67 122.03 1s4d s ASP 47 Ca 0.38 0.39 -0.10 0.00 -0.00 0.00 0.00 52.55 53.22 1s4d s ASP 47 Cb -0.04 -1.38 -0.14 0.00 -0.00 0.00 0.00 42.92 41.36 1s4d s ASP 47 CO 0.23 -1.07 1.24 0.00 -0.00 0.00 0.00 175.17 175.57 1s4d n ALA 48 N -2.44 0.36 -2.87 5.23 0.00 -1.25 -4.84 120.51 114.69 1s4d n ALA 48 Ca 0.05 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 1s4d n ALA 48 Cb 0.58 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1s4d n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s4d s LEU 49 N 2.34 4.36 0.12 0.00 1.43 -1.26 -4.85 118.68 120.83 1s4d s LEU 49 Ca 0.68 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 1s4d s LEU 49 Cb -0.54 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 1s4d s LEU 49 CO 0.27 0.40 1.31 0.58 0.23 0.00 0.00 176.35 179.14 1s4d h VAL 50 N 4.01 1.34 -3.70 -1.59 2.07 -1.91 -3.41 116.25 113.06 1s4d h VAL 50 Ca -0.54 -2.22 -0.68 0.00 0.82 0.00 0.00 66.70 64.08 1s4d h VAL 50 Cb 1.23 2.23 -0.34 0.00 -1.52 0.00 0.00 31.29 32.89 1s4d h VAL 50 CO 0.58 0.68 -0.75 0.20 0.02 0.00 0.00 177.57 178.30 1s4d s ASN 51 N -7.11 4.50 0.00 0.57 -0.87 -1.26 -4.96 114.94 105.81 1s4d s ASN 51 Ca -0.08 -1.19 0.00 0.00 -1.57 0.00 0.00 52.86 50.03 1s4d s ASN 51 Cb 0.09 -1.63 0.00 0.00 -0.02 0.00 0.00 41.25 39.68 1s4d s ASN 51 CO 0.88 -0.19 0.90 -0.62 -2.57 0.00 0.00 177.10 175.51 1s4d n GLU 52 N 4.57 0.99 0.00 -0.60 1.02 -1.26 -4.11 120.64 121.24 1s4d n GLU 52 Ca -0.15 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.78 1s4d n GLU 52 Cb 0.44 -1.09 -0.14 0.00 -0.02 0.00 0.00 31.44 30.64 1s4d n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1s4d n ASP 53 N 0.42 2.12 0.00 1.62 2.03 -1.26 -3.68 116.55 117.80 1s4d n ASP 53 Ca 0.00 0.21 0.08 0.00 0.52 0.00 0.00 54.79 55.60 1s4d n ASP 53 Cb 0.45 -0.86 0.48 0.00 -0.72 0.00 0.00 41.12 40.47 1s4d n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s4d h LEU 55 N 0.00 0.00 -0.38 0.00 3.38 -1.85 -3.24 115.31 113.21 1s4d h LEU 55 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1s4d h LEU 55 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1s4d h LEU 55 CO 0.00 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1s4d n LYS 56 N -2.82 0.15 0.21 1.13 4.76 -0.99 -2.30 118.16 118.30 1s4d n LYS 56 Ca 0.04 0.32 0.14 0.00 -2.87 0.00 0.00 58.31 55.93 1s4d n LYS 56 Cb 0.51 -1.76 0.39 0.00 -1.84 0.00 0.00 35.03 32.33 1s4d n LYS 56 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1s4d h LEU 57 N 0.00 0.00 -9.89 -0.35 4.07 -1.77 -3.46 115.31 103.91 1s4d h LEU 57 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 1s4d h LEU 57 Cb 0.42 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.23 1s4d h LEU 57 CO 0.00 0.00 0.65 0.00 -1.08 0.00 0.00 178.44 178.01 1s4d s ALA 58 N -3.35 3.49 0.52 1.53 0.00 -0.97 -3.56 121.76 119.42 1s4d s ALA 58 Ca 0.05 1.30 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 1s4d s ALA 58 Cb 0.08 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1s4d s ALA 58 CO 0.60 -0.71 1.35 -0.98 0.00 0.00 0.00 175.76 176.01 1s4d s ARG 59 N -1.87 3.32 0.40 0.00 1.70 -1.26 -4.89 118.95 116.35 1s4d s ARG 59 Ca 0.50 2.21 0.19 0.00 -0.47 0.00 0.00 55.73 58.16 1s4d s ARG 59 Cb -0.40 -2.35 1.12 0.00 -0.57 0.00 0.00 34.95 32.75 1s4d s ARG 59 CO 0.54 -1.04 1.77 -1.00 -1.08 0.00 0.00 175.30 174.49 1s4d h PRO 60 N 1.69 0.37 -0.01 3.89 0.13 -1.96 -1.26 132.00 134.85 1s4d h PRO 60 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1s4d h PRO 60 Cb 1.29 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s4d h PRO 60 CO 0.58 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 1s4d n GLY 61 N -1.49 -0.92 3.74 1.56 0.00 -1.26 -4.93 105.19 101.89 1s4d n GLY 61 Ca 0.25 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1s4d n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d s ALA 62 N -1.99 3.37 -0.29 4.61 0.00 -0.48 -5.02 121.76 121.97 1s4d s ALA 62 Ca 0.25 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.79 1s4d s ALA 62 Cb 0.12 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1s4d s ALA 62 CO 0.19 -0.23 0.78 0.08 0.00 0.00 0.00 175.76 176.58 1s4d s VAL 63 N -0.11 4.82 -0.28 0.00 1.01 -0.57 -4.98 120.40 120.29 1s4d s VAL 63 Ca 0.50 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 1s4d s VAL 63 Cb -0.29 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1s4d s VAL 63 CO 0.34 -0.18 0.14 -0.76 0.00 0.00 0.00 175.10 174.64 1s4d s LEU 64 N 2.89 3.86 -0.25 3.92 1.02 -1.26 -1.04 118.68 127.83 1s4d s LEU 64 Ca 0.32 -0.21 -0.06 0.00 0.02 0.00 0.00 54.13 54.21 1s4d s LEU 64 Cb -0.14 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 1s4d s LEU 64 CO 0.11 -0.08 0.02 -1.61 0.02 0.00 0.00 176.35 174.81 1s4d s GLU 65 N 1.68 3.41 0.61 1.70 2.02 0.54 -4.97 118.70 123.68 1s4d s GLU 65 Ca 0.06 -0.62 -0.16 0.00 0.02 0.00 0.00 54.97 54.26 1s4d s GLU 65 Cb -0.16 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 1s4d s GLU 65 CO 0.07 -0.25 1.09 0.12 0.02 0.00 0.00 175.26 176.32 1s4d s PHE 66 N 1.53 2.77 -0.23 1.61 5.36 -1.26 -1.89 117.98 125.87 1s4d s PHE 66 Ca 0.05 1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 57.52 1s4d s PHE 66 Cb -0.15 -3.14 0.12 0.00 -0.34 0.00 0.00 43.02 39.51 1s4d s PHE 66 CO 0.00 -1.44 0.41 0.00 -1.46 0.00 0.00 175.22 172.74 1s4d s ALA 67 N -2.24 -1.21 0.00 11.12 0.00 -0.90 -4.84 121.76 123.68 1s4d s ALA 67 Ca 0.67 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1s4d s ALA 67 Cb -0.19 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1s4d s ALA 67 CO 0.36 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1s4d n GLY 68 N 5.38 -0.52 3.87 0.00 0.00 -1.26 -3.85 105.19 108.81 1s4d n GLY 68 Ca -0.05 0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1s4d n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4d s LYS 69 N 0.00 3.38 -0.30 1.61 0.00 -1.26 -4.65 119.74 118.52 1s4d s LYS 69 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 55.97 55.56 1s4d s LYS 69 Cb 0.00 -3.10 0.17 0.00 0.00 0.00 0.00 37.83 34.91 1s4d s LYS 69 CO 0.00 0.72 1.04 0.21 0.00 0.00 0.00 175.35 177.32 1s4d s LYS 73 N -1.49 0.23 -0.56 1.78 2.20 -1.26 -4.40 119.74 116.25 1s4d s LYS 73 Ca 0.21 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 56.11 1s4d s LYS 73 Cb -0.12 0.32 -0.23 0.00 -1.51 0.00 0.00 37.83 36.29 1s4d s LYS 73 CO 0.11 -0.12 1.82 -2.30 -0.36 0.00 0.00 175.35 174.50 1s4d n PRO 74 N 5.02 0.93 -0.98 4.03 -0.02 -1.26 -4.96 135.00 137.76 1s4d n PRO 74 Ca -0.08 -1.60 -0.34 0.00 -2.02 0.00 0.00 63.50 59.46 1s4d n PRO 74 Cb 0.53 -2.90 0.12 0.00 -0.02 0.00 0.00 33.50 31.23 1s4d n PRO 74 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s4d n SER 75 N 9.24 -0.56 -4.66 2.55 2.88 -1.26 -5.06 113.62 116.75 1s4d n SER 75 Ca 0.48 0.48 -0.35 0.00 -1.33 0.00 0.00 58.87 58.15 1s4d n SER 75 Cb 0.42 -1.34 -0.10 0.00 -0.75 0.00 0.00 64.21 62.44 1s4d n SER 75 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1s4d s PRO 76 N -3.73 3.28 0.79 -1.46 0.05 -1.26 -5.11 135.00 127.56 1s4d s PRO 76 Ca 0.65 -0.39 -0.12 0.00 0.05 0.00 0.00 61.00 61.19 1s4d s PRO 76 Cb -0.27 -2.91 0.07 0.00 0.05 0.00 0.00 34.50 31.44 1s4d s PRO 76 CO 0.59 0.57 1.12 0.15 0.05 0.00 0.00 177.00 179.47 1s4d s LYS 77 N -0.50 2.12 0.19 4.56 -0.14 -1.26 -4.90 119.74 119.82 1s4d s LYS 77 Ca 0.09 0.46 -0.12 0.00 -1.36 0.00 0.00 55.97 55.04 1s4d s LYS 77 Cb -0.12 -1.94 0.21 0.00 -1.68 0.00 0.00 37.83 34.30 1s4d s LYS 77 CO 0.02 -1.55 1.74 0.37 -0.76 0.00 0.00 175.35 175.17 1s4d h GLN 78 N -1.03 0.35 -0.86 1.68 5.75 -2.01 -2.59 115.11 116.40 1s4d h GLN 78 Ca -0.47 -0.02 0.23 0.00 -0.15 0.00 0.00 58.65 58.24 1s4d h GLN 78 Cb 1.28 -0.08 -0.14 0.00 1.07 0.00 0.00 27.48 29.61 1s4d h GLN 78 CO 0.62 0.23 0.19 -0.09 -2.65 0.00 0.00 178.83 177.12 1s4d h ARG 79 N 0.36 0.17 0.34 1.69 2.43 -1.99 0.24 114.38 117.62 1s4d h ARG 79 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1s4d h ARG 79 Cb 0.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1s4d h ARG 79 CO -0.28 0.11 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.69 1s4d h ASP 80 N 0.18 -0.39 -0.36 -3.80 3.32 -1.84 -0.50 116.42 113.02 1s4d h ASP 80 Ca 0.53 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.56 1s4d h ASP 80 Cb 1.06 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 1s4d h ASP 80 CO -0.67 -0.14 -0.03 0.40 -1.72 0.00 0.00 179.24 177.07 1s4d h ILE 81 N -0.64 0.70 0.14 0.35 2.04 -1.21 0.55 117.51 119.44 1s4d h ILE 81 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1s4d h ILE 81 Cb 0.46 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1s4d h ILE 81 CO 0.08 0.01 -0.12 0.28 0.00 0.00 0.00 178.15 178.40 1s4d h SER 82 N 0.06 -0.32 0.34 1.72 0.02 -0.47 -1.85 113.55 113.05 1s4d h SER 82 Ca 0.17 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1s4d h SER 82 Cb 0.25 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1s4d h SER 82 CO -0.32 -0.19 -0.17 -0.07 -1.14 0.00 0.00 176.83 174.94 1s4d h LEU 83 N -0.28 0.00 -1.17 5.07 3.38 -0.83 -0.63 115.31 120.85 1s4d h LEU 83 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1s4d h LEU 83 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1s4d h LEU 83 CO -0.02 0.17 -0.20 -0.09 0.09 0.00 0.00 178.44 178.39 1s4d h ARG 84 N 0.00 0.34 -0.25 1.13 9.65 -0.29 -0.38 114.38 124.57 1s4d h ARG 84 Ca -0.00 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.71 1s4d h ARG 84 Cb 0.38 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1s4d h ARG 84 CO 0.02 0.53 -0.11 -0.07 2.80 0.00 0.00 179.97 183.14 1s4d h LEU 85 N 0.31 0.54 -0.15 3.80 3.38 -0.33 -2.24 115.31 120.62 1s4d h LEU 85 Ca 0.05 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1s4d h LEU 85 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1s4d h LEU 85 CO 0.04 0.82 0.01 -0.37 0.09 0.00 0.00 178.44 179.02 1s4d h VAL 86 N 0.26 1.24 -1.01 1.22 -1.51 -1.16 0.41 116.25 115.70 1s4d h VAL 86 Ca 0.06 -0.80 0.02 0.00 -1.23 0.00 0.00 66.70 64.75 1s4d h VAL 86 Cb 0.61 1.49 -0.05 0.00 -2.13 0.00 0.00 31.29 31.21 1s4d h VAL 86 CO 0.04 0.24 0.67 -0.08 -1.23 0.00 0.00 177.57 177.20 1s4d h GLU 87 N 0.01 1.30 -0.10 5.19 4.81 -1.15 0.98 114.58 125.63 1s4d h GLU 87 Ca 0.04 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1s4d h GLU 87 Cb 0.35 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1s4d h GLU 87 CO 0.01 0.86 -0.00 1.25 -0.73 0.00 0.00 179.01 180.39 1s4d h LEU 88 N 1.34 0.17 -0.47 1.64 5.85 -1.25 -2.68 115.31 119.91 1s4d h LEU 88 Ca 0.38 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1s4d h LEU 88 Cb -0.11 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1s4d h LEU 88 CO -0.10 0.44 0.28 0.00 -0.34 0.00 0.00 178.44 178.73 1s4d h ALA 89 N 0.73 0.60 0.00 1.25 0.00 -0.55 -2.63 119.26 118.66 1s4d h ALA 89 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s4d h ALA 89 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s4d h ALA 89 CO 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1s4d h ARG 90 N 0.56 0.00 -0.00 0.00 3.08 -0.78 0.01 114.38 117.24 1s4d h ARG 90 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1s4d h ARG 90 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1s4d h ARG 90 CO -0.09 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.66 1s4d n ALA 91 N -2.05 2.73 0.00 0.04 0.00 -1.00 -4.95 120.51 115.29 1s4d n ALA 91 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s4d n ALA 91 Cb 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1s4d n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 92 N 1.45 1.09 3.83 0.00 0.00 -0.01 -5.03 105.19 106.52 1s4d n GLY 92 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1s4d n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4d s ASN 93 N -2.00 6.78 -0.42 1.61 -0.87 -1.19 -3.97 114.94 114.88 1s4d s ASN 93 Ca 0.00 1.60 -0.29 0.00 -1.57 0.00 0.00 52.86 52.60 1s4d s ASN 93 Cb 0.00 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.74 1s4d s ASN 93 CO 0.00 -0.46 1.16 -0.13 -2.57 0.00 0.00 177.10 175.10 1s4d s ARG 94 N -3.60 3.80 -0.25 -0.60 0.52 -1.26 -1.06 118.95 116.50 1s4d s ARG 94 Ca 0.60 0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 56.51 1s4d s ARG 94 Cb -0.09 -3.88 -0.02 0.00 0.52 0.00 0.00 34.95 31.48 1s4d s ARG 94 CO 0.22 -1.27 0.05 0.08 0.02 0.00 0.00 175.30 174.40 1s4d s VAL 95 N 4.36 4.07 -0.24 3.52 1.01 -0.76 -1.07 120.40 131.29 1s4d s VAL 95 Ca 0.49 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1s4d s VAL 95 Cb -0.10 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1s4d s VAL 95 CO 0.27 0.31 0.07 -0.22 0.00 0.00 0.00 175.10 175.53 1s4d s LEU 96 N 1.57 3.47 -0.44 3.92 2.96 -0.23 -1.14 118.68 128.79 1s4d s LEU 96 Ca 0.06 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.63 1s4d s LEU 96 Cb -0.15 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.65 1s4d s LEU 96 CO 0.02 -0.01 0.40 -0.60 -1.32 0.00 0.00 176.35 174.84 1s4d s ARG 97 N 1.48 3.03 -0.54 1.98 6.06 0.15 -0.82 118.95 130.29 1s4d s ARG 97 Ca 0.06 -1.00 -0.18 0.00 -2.50 0.00 0.00 55.73 52.11 1s4d s ARG 97 Cb -0.15 -4.02 0.09 0.00 0.06 0.00 0.00 34.95 30.93 1s4d s ARG 97 CO 0.04 -0.89 0.59 -1.17 -2.50 0.00 0.00 175.30 171.37 1s4d s LEU 98 N 1.90 5.46 -0.04 -0.88 0.20 -0.11 -0.98 118.68 124.23 1s4d s LEU 98 Ca 0.08 -1.33 -0.05 0.00 0.69 0.00 0.00 54.13 53.52 1s4d s LEU 98 Cb -0.20 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.22 1s4d s LEU 98 CO 0.11 -0.93 0.19 -0.54 -0.29 0.00 0.00 176.35 174.89 1s4d s LYS 99 N 2.29 3.47 0.41 1.98 -0.14 0.23 -2.36 119.74 125.63 1s4d s LYS 99 Ca 0.10 -0.20 -0.27 0.00 -1.36 0.00 0.00 55.97 54.24 1s4d s LYS 99 Cb -0.24 -3.12 -0.09 0.00 -1.68 0.00 0.00 37.83 32.69 1s4d s LYS 99 CO 0.07 0.70 1.43 0.20 -0.76 0.00 0.00 175.35 176.99 1s4d s GLY 100 N -1.60 2.94 0.00 -3.33 0.00 -1.26 0.57 107.32 104.63 1s4d s GLY 100 Ca 0.23 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.42 1s4d s GLY 100 CO 0.14 2.11 0.00 0.61 0.00 0.00 0.00 173.10 175.96 1s4d n GLY 101 N 0.56 2.73 3.62 0.20 0.00 -0.20 -4.57 105.19 107.53 1s4d n GLY 101 Ca 0.03 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1s4d n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4d s ASP 102 N -4.00 4.94 0.62 1.61 2.15 -1.24 -1.30 116.67 119.45 1s4d s ASP 102 Ca 0.00 0.05 0.35 0.00 0.43 0.00 0.00 52.55 53.38 1s4d s ASP 102 Cb 0.00 -1.37 2.04 0.00 -0.30 0.00 0.00 42.92 43.29 1s4d s ASP 102 CO 0.00 0.35 2.30 -0.65 -0.17 0.00 0.00 175.17 177.00 1s4d h PRO 103 N 5.35 0.00 -0.14 4.34 0.11 -1.81 -3.02 132.00 136.82 1s4d h PRO 103 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1s4d h PRO 103 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s4d h PRO 103 CO 0.54 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.53 1s4d n PHE 104 N -3.56 0.17 -3.13 0.65 0.99 -1.26 -2.33 117.46 109.00 1s4d n PHE 104 Ca -0.03 -0.16 -0.37 0.00 -0.00 0.00 0.00 57.45 56.89 1s4d n PHE 104 Cb 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 38.53 1s4d n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1s4d n VAL 105 N 0.71 4.33 -1.38 -4.37 0.31 -1.14 -4.70 118.33 112.10 1s4d n VAL 105 Ca 0.09 -5.70 0.00 0.00 -0.01 0.00 0.00 64.34 58.72 1s4d n VAL 105 Cb 0.37 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1s4d n VAL 105 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1s4d n PHE 106 N 1.06 0.00 -0.85 3.52 3.01 -1.26 -4.82 117.46 118.11 1s4d n PHE 106 Ca 0.28 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.81 1s4d n PHE 106 Cb 0.36 -0.63 0.10 0.00 -0.01 0.00 0.00 39.48 39.29 1s4d n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4d n GLY 107 N -0.76 4.08 2.96 1.37 0.00 -1.26 -4.98 105.19 106.61 1s4d n GLY 107 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.23 1s4d n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4d n ARG 108 N -1.12 -1.92 -0.19 1.61 1.74 -1.26 -4.86 116.66 110.66 1s4d n ARG 108 Ca 0.11 0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 57.67 1s4d n ARG 108 Cb 0.55 -4.93 0.10 0.00 -1.02 0.00 0.00 32.46 27.15 1s4d n ARG 108 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1s4d h GLY 109 N 0.00 0.79 0.71 -0.13 0.00 -1.84 -1.03 103.07 101.57 1s4d h GLY 109 Ca -0.00 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.30 1s4d h GLY 109 CO 0.00 -0.03 0.64 -1.33 0.00 0.00 0.00 176.54 175.83 1s4d h GLY 110 N 0.37 1.52 0.90 4.60 0.00 -1.89 0.34 103.07 108.90 1s4d h GLY 110 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1s4d h GLY 110 CO -0.31 0.31 0.06 0.83 0.00 0.00 0.00 176.54 177.43 1s4d h GLU 111 N 1.13 0.20 0.67 4.80 5.08 -1.62 -1.24 114.58 123.61 1s4d h GLU 111 Ca 0.44 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1s4d h GLU 111 Cb 0.22 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1s4d h GLU 111 CO -0.18 0.27 -0.32 0.93 -1.00 0.00 0.00 179.01 178.70 1s4d h GLU 112 N 0.08 -0.86 -0.83 2.33 5.08 -0.88 -2.01 114.58 117.50 1s4d h GLU 112 Ca 0.05 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.67 1s4d h GLU 112 Cb 0.14 0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.45 1s4d h GLU 112 CO -0.01 -0.58 0.21 0.00 -1.00 0.00 0.00 179.01 177.64 1s4d h ALA 113 N -0.55 1.15 0.00 3.43 0.00 -0.97 -0.04 119.26 122.26 1s4d h ALA 113 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s4d h ALA 113 Cb 0.69 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1s4d h ALA 113 CO 0.15 -0.41 0.00 1.37 0.00 0.00 0.00 179.25 180.36 1s4d h LEU 114 N 0.24 0.00 -0.08 0.00 8.10 -0.94 -0.94 115.31 121.68 1s4d h LEU 114 Ca 0.50 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 58.33 1s4d h LEU 114 Cb 0.94 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.17 1s4d h LEU 114 CO -0.60 0.00 -0.57 0.74 -4.11 0.00 0.00 178.44 173.89 1s4d h THR 115 N 0.00 1.36 -0.35 0.15 2.02 -0.60 -2.61 112.91 112.88 1s4d h THR 115 Ca 0.00 -1.91 0.06 0.00 0.77 0.00 0.00 66.41 65.33 1s4d h THR 115 Cb 0.85 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 69.46 1s4d h THR 115 CO 0.00 0.57 0.02 -0.07 0.37 0.00 0.00 175.52 176.41 1s4d h LEU 116 N 0.13 -0.11 -0.71 2.58 -0.00 -0.72 -2.72 115.31 113.77 1s4d h LEU 116 Ca -0.05 0.07 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1s4d h LEU 116 Cb 1.23 0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.97 1s4d h LEU 116 CO 0.12 -0.02 0.46 0.58 -0.00 0.00 0.00 178.44 179.58 1s4d h VAL 117 N 0.12 1.13 0.00 1.22 2.07 -1.25 0.62 116.25 120.17 1s4d h VAL 117 Ca 0.17 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1s4d h VAL 117 Cb 0.22 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1s4d h VAL 117 CO -0.27 0.17 0.01 1.21 0.02 0.00 0.00 177.57 178.71 1s4d n GLU 118 N -4.63 0.00 -0.75 1.57 2.13 -0.98 -4.19 120.64 113.79 1s4d n GLU 118 Ca 0.07 0.40 0.05 0.00 0.66 0.00 0.00 57.16 58.34 1s4d n GLU 118 Cb 0.06 -1.51 0.09 0.00 0.27 0.00 0.00 31.44 30.35 1s4d n GLU 118 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1s4d n HIS 119 N -1.40 0.00 -2.80 4.31 8.25 -0.28 -4.95 115.22 118.35 1s4d n HIS 119 Ca 0.00 -0.77 -0.43 0.00 -0.26 0.00 0.00 57.72 56.27 1s4d n HIS 119 Cb 0.01 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 1s4d n HIS 119 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s4d s GLN 120 N -1.46 3.41 -0.17 -0.41 -1.52 -1.25 -5.00 119.66 113.25 1s4d s GLN 120 Ca 0.27 -1.23 -0.15 0.00 -1.95 0.00 0.00 55.36 52.30 1s4d s GLN 120 Cb 0.28 -4.73 -0.04 0.00 -0.22 0.00 0.00 33.01 28.30 1s4d s GLN 120 CO -0.07 -1.90 0.36 0.08 -0.25 0.00 0.00 175.29 173.51 1s4d s VAL 121 N 3.80 5.25 0.34 1.09 1.01 0.20 -4.97 120.40 127.13 1s4d s VAL 121 Ca 0.32 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1s4d s VAL 121 Cb -0.08 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1s4d s VAL 121 CO -0.02 0.32 1.43 -2.84 0.00 0.00 0.00 175.10 174.00 1s4d s PRO 122 N 0.85 4.21 0.05 2.72 0.02 -1.26 -4.20 135.00 137.39 1s4d s PRO 122 Ca 0.19 2.43 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 1s4d s PRO 122 Cb -0.14 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1s4d s PRO 122 CO 0.07 -0.41 0.06 -0.59 -0.33 0.00 0.00 177.00 175.79 1s4d s PHE 123 N -0.95 0.32 0.15 6.54 -0.12 -1.26 -1.69 117.98 120.97 1s4d s PHE 123 Ca 0.53 -0.76 0.09 0.00 -0.05 0.00 0.00 56.93 56.74 1s4d s PHE 123 Cb -0.44 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1s4d s PHE 123 CO 0.57 -0.40 -0.20 0.50 -0.05 0.00 0.00 175.22 175.63 1s4d s ARG 124 N -3.39 1.27 -0.16 1.99 3.52 -0.80 -4.97 118.95 116.41 1s4d s ARG 124 Ca 0.02 -1.35 0.01 0.00 -0.13 0.00 0.00 55.73 54.27 1s4d s ARG 124 Cb 0.04 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.99 1s4d s ARG 124 CO -0.08 0.31 -0.17 0.42 -0.81 0.00 0.00 175.30 174.96 1s4d s ILE 125 N -1.71 2.43 -0.37 4.11 -1.09 -1.26 -1.52 121.20 121.79 1s4d s ILE 125 Ca 0.14 -0.84 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 1s4d s ILE 125 Cb -0.07 -2.02 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 1s4d s ILE 125 CO 0.06 0.52 0.19 -0.69 -1.23 0.00 0.00 174.94 173.80 1s4d s VAL 126 N 0.91 4.47 0.58 2.92 1.01 -0.57 -4.98 120.40 124.73 1s4d s VAL 126 Ca -0.04 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1s4d s VAL 126 Cb -0.15 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1s4d s VAL 126 CO -0.02 -0.22 0.76 -2.65 0.00 0.00 0.00 175.10 172.97 1s4d n PRO 127 N 4.97 0.72 -4.39 2.72 -0.02 -1.26 -1.74 135.00 136.00 1s4d n PRO 127 Ca -0.12 0.28 -0.19 0.00 -2.02 0.00 0.00 63.50 61.45 1s4d n PRO 127 Cb 0.46 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 1s4d n PRO 127 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s4d s GLY 128 N -1.20 1.82 0.09 -1.23 0.00 -1.26 -4.38 107.32 101.16 1s4d s GLY 128 Ca 0.72 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 43.22 1s4d s GLY 128 CO 0.51 -1.75 1.21 -0.42 0.00 0.00 0.00 173.10 172.65 1s4d s ILE 129 N -3.34 3.90 0.01 0.90 -1.09 -1.26 -4.17 121.20 116.16 1s4d s ILE 129 Ca 0.33 1.40 -0.04 0.00 -2.23 0.00 0.00 60.65 60.11 1s4d s ILE 129 Cb 0.07 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1s4d s ILE 129 CO 0.12 0.13 0.23 0.28 -1.23 0.00 0.00 174.94 174.48 1s4d s THR 130 N 0.84 5.36 0.37 2.92 -1.32 -1.26 -3.30 115.64 119.25 1s4d s THR 130 Ca 0.58 -0.04 0.07 0.00 -1.21 0.00 0.00 61.69 61.09 1s4d s THR 130 Cb -0.31 -3.56 0.18 0.00 -1.51 0.00 0.00 72.50 67.30 1s4d s THR 130 CO 0.31 0.30 1.93 0.00 -2.21 0.00 0.00 174.62 174.95 1s4d h ALA 131 N 3.74 1.49 0.00 11.08 0.00 -1.95 -0.69 119.26 132.94 1s4d h ALA 131 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1s4d h ALA 131 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1s4d h ALA 131 CO 0.69 0.37 0.00 0.78 0.00 0.00 0.00 179.25 181.08 1s4d h GLY 132 N 0.73 0.00 0.00 0.00 0.00 -1.96 -2.09 103.07 99.75 1s4d h GLY 132 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1s4d h GLY 132 CO 0.01 0.00 -0.07 1.39 0.00 0.00 0.00 176.54 177.87 1s4d n ILE 133 N -2.47 1.17 -0.05 2.60 5.41 -0.37 -4.60 119.36 121.05 1s4d n ILE 133 Ca -0.02 0.36 -0.15 0.00 1.00 0.00 0.00 62.75 63.95 1s4d n ILE 133 Cb 0.06 -1.60 -0.07 0.00 -0.71 0.00 0.00 39.64 37.32 1s4d n ILE 133 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s4d h GLY 134 N -0.07 0.65 -0.43 7.39 0.00 -1.42 -1.69 103.07 107.51 1s4d h GLY 134 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 47.33 46.60 1s4d h GLY 134 CO 0.00 0.73 -0.45 -1.33 0.00 0.00 0.00 176.54 175.48 1s4d h GLY 135 N 0.25 -0.57 1.35 4.60 0.00 -1.37 -1.12 103.07 106.20 1s4d h GLY 135 Ca -0.01 0.58 0.02 0.00 0.00 0.00 0.00 47.33 47.93 1s4d h GLY 135 CO 0.09 -0.16 0.39 1.41 0.00 0.00 0.00 176.54 178.27 1s4d h LEU 136 N -0.28 0.61 -1.03 3.11 3.38 -1.40 -2.17 115.31 117.54 1s4d h LEU 136 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1s4d h LEU 136 Cb 0.57 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1s4d h LEU 136 CO -0.65 0.43 0.53 0.00 0.09 0.00 0.00 178.44 178.85 1s4d h ALA 137 N 1.65 1.27 0.00 1.53 0.00 -0.26 -0.21 119.26 123.25 1s4d h ALA 137 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1s4d h ALA 137 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1s4d h ALA 137 CO -0.06 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.48 1s4d n TYR 138 N -4.36 0.25 0.77 0.00 4.02 -0.64 -0.10 117.16 117.09 1s4d n TYR 138 Ca 0.10 0.10 0.11 0.00 -0.01 0.00 0.00 57.90 58.20 1s4d n TYR 138 Cb 0.06 -0.67 0.11 0.00 -0.02 0.00 0.00 39.34 38.82 1s4d n TYR 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s4d n ALA 139 N -1.59 2.45 -1.91 -0.72 0.00 -0.21 -4.61 120.51 113.93 1s4d n ALA 139 Ca 0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 1s4d n ALA 139 Cb 0.15 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1s4d n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 140 N 1.21 0.30 3.22 0.00 0.00 0.86 -4.59 105.19 106.18 1s4d n GLY 140 Ca 0.13 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1s4d n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4d s ILE 141 N -2.38 3.24 0.24 -0.61 1.01 -0.47 -3.58 121.20 118.65 1s4d s ILE 141 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 60.65 59.24 1s4d s ILE 141 Cb 0.00 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.60 1s4d s ILE 141 CO 0.00 -0.03 0.83 -2.16 0.00 0.00 0.00 174.94 173.59 1s4d s PRO 142 N 1.33 4.51 0.48 2.79 0.04 -1.26 -3.45 135.00 139.44 1s4d s PRO 142 Ca -0.02 1.16 0.27 0.00 0.04 0.00 0.00 61.00 62.45 1s4d s PRO 142 Cb -0.19 -2.99 0.98 0.00 0.04 0.00 0.00 34.50 32.35 1s4d s PRO 142 CO -0.01 0.41 1.84 -0.39 0.04 0.00 0.00 177.00 178.90 1s4d h VAL 143 N 2.88 0.27 -3.94 -0.36 -1.51 -1.88 -3.45 116.25 108.26 1s4d h VAL 143 Ca -0.47 -0.91 -0.27 0.00 -1.23 0.00 0.00 66.70 63.82 1s4d h VAL 143 Cb 1.20 1.73 -0.23 0.00 -2.13 0.00 0.00 31.29 31.85 1s4d h VAL 143 CO 0.66 0.11 -0.73 0.42 -1.23 0.00 0.00 177.57 176.80 1s4d s THR 144 N -3.57 0.44 -0.29 7.19 -4.23 -1.26 -4.77 115.64 109.16 1s4d s THR 144 Ca 0.02 -0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 59.59 1s4d s THR 144 Cb 0.09 -0.49 0.11 0.00 1.34 0.00 0.00 72.50 73.56 1s4d s THR 144 CO 0.61 -0.27 0.64 -2.28 -0.54 0.00 0.00 174.62 172.78 1s4d s HIS 145 N -1.06 -1.24 0.30 3.99 5.04 -1.26 -5.02 115.29 116.05 1s4d s HIS 145 Ca -0.08 2.23 0.06 0.00 -1.54 0.00 0.00 55.06 55.73 1s4d s HIS 145 Cb -0.08 0.73 0.77 0.00 0.04 0.00 0.00 32.58 34.04 1s4d s HIS 145 CO 0.00 -0.62 1.74 -0.09 -2.34 0.00 0.00 174.74 173.43 1s4d h ARG 146 N 7.76 0.58 0.00 2.88 1.12 -2.02 0.58 114.38 125.29 1s4d h ARG 146 Ca -0.21 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 1s4d h ARG 146 Cb 1.13 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1s4d h ARG 146 CO 0.12 0.38 0.00 0.39 -3.11 0.00 0.00 179.97 177.75 1s4d n GLU 147 N -4.89 0.02 0.00 0.20 1.02 -1.26 -4.11 120.64 111.63 1s4d n GLU 147 Ca 0.24 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1s4d n GLU 147 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1s4d n GLU 147 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1s4d n VAL 148 N -1.48 0.00 -3.66 2.62 0.31 0.18 -5.12 118.33 111.18 1s4d n VAL 148 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.22 1s4d n VAL 148 Cb 0.19 -0.69 -0.08 0.00 -0.91 0.00 0.00 33.84 32.36 1s4d n VAL 148 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s4d s ASN 149 N -4.18 -0.41 0.00 4.52 4.22 -0.08 -4.80 114.94 114.21 1s4d s ASN 149 Ca 0.00 0.45 0.00 0.00 -2.14 0.00 0.00 52.86 51.18 1s4d s ASN 149 Cb 0.00 0.50 0.01 0.00 1.28 0.00 0.00 41.25 43.04 1s4d s ASN 149 CO 0.00 -0.47 0.82 1.41 -2.04 0.00 0.00 177.10 176.82 1s4d n HIS 150 N 1.36 0.01 -3.78 1.54 8.25 -1.26 -4.06 115.22 117.28 1s4d n HIS 150 Ca -0.19 -0.31 -0.13 0.00 -0.26 0.00 0.00 57.72 56.83 1s4d n HIS 150 Cb 0.56 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.53 1s4d n HIS 150 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4d s ALA 151 N -0.63 -0.66 0.04 -1.41 0.00 -1.26 -5.14 121.76 112.70 1s4d s ALA 151 Ca 0.01 0.68 0.07 0.00 0.00 0.00 0.00 51.96 52.71 1s4d s ALA 151 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1s4d s ALA 151 CO 0.01 -0.14 -0.20 0.08 0.00 0.00 0.00 175.76 175.51 1s4d s VAL 152 N -0.05 1.58 -0.11 0.00 1.01 -1.26 -4.09 120.40 117.47 1s4d s VAL 152 Ca -0.02 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1s4d s VAL 152 Cb -0.02 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1s4d s VAL 152 CO 0.01 0.21 -0.21 -0.89 0.00 0.00 0.00 175.10 174.22 1s4d s THR 153 N -0.76 2.32 -0.03 3.92 2.01 -0.87 -5.00 115.64 117.23 1s4d s THR 153 Ca 0.07 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1s4d s THR 153 Cb -0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1s4d s THR 153 CO 0.01 0.55 0.13 -0.36 -0.69 0.00 0.00 174.62 174.26 1s4d s PHE 154 N 0.41 3.44 0.28 4.92 0.40 -1.26 0.06 117.98 126.24 1s4d s PHE 154 Ca -0.15 0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 56.35 1s4d s PHE 154 Cb -0.17 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.56 1s4d s PHE 154 CO 0.07 0.62 0.59 -0.48 0.70 0.00 0.00 175.22 176.72 1s4d s LEU 155 N -1.66 0.16 -0.07 -0.37 -0.00 0.11 -4.93 118.68 111.91 1s4d s LEU 155 Ca 0.23 -0.90 0.05 0.00 -0.00 0.00 0.00 54.13 53.50 1s4d s LEU 155 Cb -0.12 2.17 -0.01 0.00 -0.00 0.00 0.00 46.19 48.23 1s4d s LEU 155 CO 0.14 -1.28 -0.23 0.28 -0.00 0.00 0.00 176.35 175.25 1s4d s THR 156 N -3.71 2.24 0.82 5.48 -1.32 -1.26 0.09 115.64 117.98 1s4d s THR 156 Ca 0.19 -0.99 -0.12 0.00 -1.21 0.00 0.00 61.69 59.56 1s4d s THR 156 Cb -0.03 -1.84 0.10 0.00 -1.51 0.00 0.00 72.50 69.23 1s4d s THR 156 CO 0.10 0.56 1.18 -0.83 -2.21 0.00 0.00 174.62 173.42 1s4d s GLY 157 N -0.04 1.65 0.00 6.08 0.00 -0.45 -4.96 107.32 109.60 1s4d s GLY 157 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1s4d s GLY 157 CO 0.05 -0.31 0.00 1.57 0.00 0.00 0.00 173.10 174.41 1s4d n HIS 158 N -3.34 0.00 0.00 1.90 -0.00 -1.25 -4.76 115.22 107.77 1s4d n HIS 158 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1s4d n HIS 158 Cb 0.61 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 1s4d n HIS 158 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1s4d n VAL 164 N 0.00 0.00 -2.70 3.57 0.31 -1.26 -5.08 118.33 113.18 1s4d n VAL 164 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1s4d n VAL 164 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1s4d n VAL 164 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1s4d s PRO 165 N -2.23 4.53 -0.28 5.55 0.04 -1.26 -5.03 135.00 136.32 1s4d s PRO 165 Ca 0.00 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 1s4d s PRO 165 Cb 0.00 -3.47 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1s4d s PRO 165 CO 0.00 -0.10 0.01 0.34 0.04 0.00 0.00 177.00 177.29 1s4d s ASP 166 N 1.03 4.78 0.00 6.66 3.68 -1.26 -4.96 116.67 126.60 1s4d s ASP 166 Ca 0.52 -0.98 0.10 0.00 2.13 0.00 0.00 52.55 54.32 1s4d s ASP 166 Cb -0.21 -1.75 0.49 0.00 -1.45 0.00 0.00 42.92 40.00 1s4d s ASP 166 CO 0.26 -0.20 1.21 -2.11 0.13 0.00 0.00 175.17 174.46 1s4d n ARG 167 N 4.72 0.13 -2.94 4.34 1.85 -1.26 -4.80 116.66 118.70 1s4d n ARG 167 Ca -0.15 0.20 -0.40 0.00 -1.00 0.00 0.00 57.85 56.51 1s4d n ARG 167 Cb 0.46 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 1s4d n ARG 167 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1s4d s ILE 168 N -2.59 4.55 -0.80 8.89 1.01 -1.26 -5.03 121.20 125.97 1s4d s ILE 168 Ca 0.09 1.73 -0.20 0.00 0.00 0.00 0.00 60.65 62.27 1s4d s ILE 168 Cb 0.07 -4.16 0.11 0.00 0.01 0.00 0.00 42.46 38.49 1s4d s ILE 168 CO 0.15 0.42 1.02 0.21 0.00 0.00 0.00 174.94 176.74 1s4d s ASN 169 N -0.47 6.43 0.15 3.58 3.04 -1.26 -4.95 114.94 121.46 1s4d s ASN 169 Ca 0.39 -1.65 -0.14 0.00 0.04 0.00 0.00 52.86 51.50 1s4d s ASN 169 Cb -0.22 -2.39 0.02 0.00 -1.54 0.00 0.00 41.25 37.12 1s4d s ASN 169 CO 0.25 -1.18 1.66 -0.50 -3.04 0.00 0.00 177.10 174.30 1s4d h TRP 170 N 9.09 0.78 -0.55 0.43 4.06 -1.95 -0.77 115.95 127.03 1s4d h TRP 170 Ca -0.04 -0.08 0.11 0.00 2.06 0.00 0.00 58.89 60.93 1s4d h TRP 170 Cb 1.05 -0.22 -0.08 0.00 -1.00 0.00 0.00 29.16 28.90 1s4d h TRP 170 CO 1.06 0.69 0.06 0.37 -3.56 0.00 0.00 178.44 177.06 1s4d h GLN 171 N 0.64 0.18 -0.06 0.49 5.75 -1.90 0.14 115.11 120.34 1s4d h GLN 171 Ca 0.15 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 1s4d h GLN 171 Cb 0.29 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1s4d h GLN 171 CO -0.00 0.12 -0.19 0.78 -2.65 0.00 0.00 178.83 176.89 1s4d h GLY 172 N 0.18 -0.21 1.00 2.39 0.00 -1.78 0.14 103.07 104.81 1s4d h GLY 172 Ca 0.28 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1s4d h GLY 172 CO -0.41 -0.17 0.44 -2.22 0.00 0.00 0.00 176.54 174.17 1s4d h ILE 173 N -0.27 1.18 -0.75 2.60 5.03 -0.77 -2.30 117.51 122.23 1s4d h ILE 173 Ca 0.08 -0.36 0.05 0.00 -0.12 0.00 0.00 64.86 64.51 1s4d h ILE 173 Cb 0.38 0.20 -0.06 0.00 -3.03 0.00 0.00 36.82 34.31 1s4d h ILE 173 CO -0.22 0.18 0.45 0.00 -0.68 0.00 0.00 178.15 177.88 1s4d h ALA 174 N 1.24 1.01 -2.64 1.87 0.00 -0.37 -3.36 119.26 117.02 1s4d h ALA 174 Ca 0.25 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.62 1s4d h ALA 174 Cb -0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1s4d h ALA 174 CO -0.05 0.17 0.19 -1.12 0.00 0.00 0.00 179.25 178.45 1s4d s SER 175 N -5.70 7.24 0.00 0.00 0.01 0.47 -4.49 113.70 111.23 1s4d s SER 175 Ca -0.13 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1s4d s SER 175 Cb 0.17 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1s4d s SER 175 CO 0.77 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 175.01 1s4d n GLY 176 N 2.45 0.00 3.11 3.44 0.00 -1.26 -4.85 105.19 108.08 1s4d n GLY 176 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1s4d n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4d s SER 177 N -0.01 3.37 0.64 1.61 0.01 -1.26 -5.00 113.70 113.06 1s4d s SER 177 Ca 0.00 -0.78 0.37 0.00 1.31 0.00 0.00 55.95 56.85 1s4d s SER 177 Cb 0.00 -1.50 2.06 0.00 0.21 0.00 0.00 66.02 66.80 1s4d s SER 177 CO 0.00 -0.03 2.24 -0.65 0.41 0.00 0.00 173.24 175.21 1s4d h PRO 178 N 7.91 0.00 -6.06 12.44 0.11 -1.87 -3.40 132.00 141.12 1s4d h PRO 178 Ca -0.41 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.02 1s4d h PRO 178 Cb 1.12 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.04 1s4d h PRO 178 CO 0.61 0.00 -0.69 0.08 -0.21 0.00 0.00 178.00 177.78 1s4d s VAL 179 N -4.34 3.70 -0.08 3.15 1.01 -1.26 -4.39 120.40 118.19 1s4d s VAL 179 Ca -0.05 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1s4d s VAL 179 Cb 0.13 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1s4d s VAL 179 CO 0.45 0.59 -0.05 -0.63 0.00 0.00 0.00 175.10 175.45 1s4d s ILE 180 N -0.70 0.76 -0.23 2.22 1.01 -0.60 -2.05 121.20 121.61 1s4d s ILE 180 Ca 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1s4d s ILE 180 Cb -0.11 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 1s4d s ILE 180 CO 0.02 0.31 -0.02 -0.69 0.00 0.00 0.00 174.94 174.55 1s4d s VAL 181 N 1.51 3.53 -0.14 2.92 1.01 0.11 -0.79 120.40 128.54 1s4d s VAL 181 Ca -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1s4d s VAL 181 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1s4d s VAL 181 CO -0.04 0.41 -0.18 -0.04 0.00 0.00 0.00 175.10 175.25 1s4d s MET 182 N 1.50 3.16 -0.09 2.72 -1.94 0.21 -0.71 119.30 124.15 1s4d s MET 182 Ca 0.06 -0.78 -0.06 0.00 -1.71 0.00 0.00 55.69 53.20 1s4d s MET 182 Cb -0.14 -2.55 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 1s4d s MET 182 CO -0.02 0.04 0.14 0.71 -0.01 0.00 0.00 175.02 175.87 1s4d s TYR 183 N 0.74 3.55 -1.34 -0.03 1.51 0.11 -1.91 117.35 119.99 1s4d s TYR 183 Ca -0.07 0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 56.41 1s4d s TYR 183 Cb -0.16 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1s4d s TYR 183 CO 0.01 0.70 0.90 -1.33 -1.11 0.00 0.00 175.55 174.71 1s4d n MET 184 N 1.75 -5.88 -0.00 -0.62 2.81 -1.26 -1.34 117.12 112.58 1s4d n MET 184 Ca -0.18 0.70 0.09 0.00 -1.81 0.00 0.00 57.70 56.50 1s4d n MET 184 Cb 0.54 -5.50 -0.12 0.00 -0.71 0.00 0.00 33.22 27.43 1s4d n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s4d n ALA 185 N -4.44 4.35 0.05 3.04 0.00 -1.26 -2.98 120.51 119.26 1s4d n ALA 185 Ca -0.18 -0.55 -0.04 0.00 0.00 0.00 0.00 53.44 52.67 1s4d n ALA 185 Cb 0.63 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1s4d n ALA 185 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1s4d h MET 186 N 0.00 -0.19 -1.03 0.00 2.86 -1.91 -0.26 114.93 114.41 1s4d h MET 186 Ca 0.00 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.93 1s4d h MET 186 Cb 0.52 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 1s4d h MET 186 CO 0.00 -0.12 0.70 -0.22 1.06 0.00 0.00 176.91 178.33 1s4d h LYS 187 N -0.19 0.21 -0.32 1.72 3.11 -2.01 -1.26 116.57 117.82 1s4d h LYS 187 Ca -0.01 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1s4d h LYS 187 Cb 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1s4d h LYS 187 CO -0.03 0.14 0.00 0.72 -2.81 0.00 0.00 179.45 177.46 1s4d n HIS 188 N -4.42 0.68 -0.27 1.91 8.25 -1.13 -4.75 115.22 115.48 1s4d n HIS 188 Ca 0.23 -0.65 0.27 0.00 -0.26 0.00 0.00 57.72 57.32 1s4d n HIS 188 Cb 0.96 -0.14 0.63 0.00 1.12 0.00 0.00 29.99 32.56 1s4d n HIS 188 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1s4d h ILE 189 N 2.01 0.52 0.08 1.59 6.09 0.21 -1.57 117.51 126.44 1s4d h ILE 189 Ca 0.00 -0.06 -0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1s4d h ILE 189 Cb 1.03 0.32 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1s4d h ILE 189 CO 0.09 0.03 -0.04 1.23 -3.07 0.00 0.00 178.15 176.40 1s4d h GLY 190 N 0.19 -0.11 1.32 8.18 0.00 -1.85 -1.09 103.07 109.71 1s4d h GLY 190 Ca 0.52 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1s4d h GLY 190 CO -0.13 -0.04 0.14 0.00 0.00 0.00 0.00 176.54 176.52 1s4d h ALA 191 N 0.42 1.20 -0.02 3.60 0.00 -1.79 -1.79 119.26 120.88 1s4d h ALA 191 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1s4d h ALA 191 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s4d h ALA 191 CO 0.02 0.55 -0.00 0.82 0.00 0.00 0.00 179.25 180.64 1s4d h ILE 192 N 0.83 1.28 -0.11 0.00 2.04 -1.20 -0.57 117.51 119.77 1s4d h ILE 192 Ca 0.18 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 1s4d h ILE 192 Cb 0.29 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1s4d h ILE 192 CO -0.00 0.22 -0.25 0.71 0.00 0.00 0.00 178.15 178.82 1s4d h THR 193 N -0.30 1.23 -0.70 -0.27 1.35 -1.22 -1.26 112.91 111.73 1s4d h THR 193 Ca 0.00 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.78 1s4d h THR 193 Cb 0.35 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1s4d h THR 193 CO 0.00 0.32 0.33 0.00 -0.25 0.00 0.00 175.52 175.92 1s4d h ALA 194 N 1.58 0.91 -0.21 6.62 0.00 -1.11 -0.89 119.26 126.16 1s4d h ALA 194 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1s4d h ALA 194 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1s4d h ALA 194 CO 0.04 0.48 -0.02 -0.91 0.00 0.00 0.00 179.25 178.84 1s4d h ASN 195 N 0.98 0.38 -0.51 0.00 -0.26 -0.36 0.20 115.58 116.01 1s4d h ASN 195 Ca 0.24 -0.34 0.04 0.00 -0.56 0.00 0.00 56.30 55.68 1s4d h ASN 195 Cb 0.14 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1s4d h ASN 195 CO -0.03 0.63 0.27 -0.07 -1.06 0.00 0.00 177.43 177.17 1s4d h LEU 196 N 0.13 0.39 -0.60 1.61 3.38 -1.21 -0.68 115.31 118.34 1s4d h LEU 196 Ca 0.06 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1s4d h LEU 196 Cb 0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1s4d h LEU 196 CO 0.02 0.27 0.12 0.40 0.09 0.00 0.00 178.44 179.33 1s4d h ILE 197 N 0.52 1.26 -0.45 1.22 2.04 -0.95 -1.35 117.51 119.79 1s4d h ILE 197 Ca 0.22 -0.97 0.10 0.00 1.00 0.00 0.00 64.86 65.21 1s4d h ILE 197 Cb 0.12 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1s4d h ILE 197 CO -0.15 0.36 0.31 0.00 0.00 0.00 0.00 178.15 178.67 1s4d h ALA 198 N 1.02 2.18 -0.45 1.87 0.00 -0.08 -1.48 119.26 122.33 1s4d h ALA 198 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s4d h ALA 198 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s4d h ALA 198 CO 0.01 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1s4d n GLY 199 N -1.57 1.78 0.00 0.00 0.00 -0.31 -4.91 105.19 100.19 1s4d n GLY 199 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1s4d n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4d n GLY 200 N 0.93 0.72 3.74 -0.02 0.00 -0.56 -4.69 105.19 105.31 1s4d n GLY 200 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1s4d n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4d n ARG 201 N -1.44 2.42 -2.17 1.61 5.12 -1.02 -4.94 116.66 116.23 1s4d n ARG 201 Ca 0.00 0.85 -0.42 0.00 -1.93 0.00 0.00 57.85 56.35 1s4d n ARG 201 Cb 0.00 -2.52 -0.03 0.00 -1.16 0.00 0.00 32.46 28.75 1s4d n ARG 201 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1s4d s SER 202 N -0.13 6.81 0.41 0.55 0.15 -1.26 -4.46 113.70 115.77 1s4d s SER 202 Ca 0.56 2.20 0.25 0.00 0.70 0.00 0.00 55.95 59.65 1s4d s SER 202 Cb -0.52 -2.56 1.31 0.00 -1.71 0.00 0.00 66.02 62.53 1s4d s SER 202 CO 0.61 -0.73 1.64 -0.65 1.20 0.00 0.00 173.24 175.31 1s4d h PRO 203 N 7.75 0.15 -0.07 5.44 0.11 -1.93 0.32 132.00 143.77 1s4d h PRO 203 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1s4d h PRO 203 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1s4d h PRO 203 CO 0.90 0.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.54 1s4d n ASP 204 N -4.82 1.14 -4.73 -2.05 8.00 -1.26 -1.36 116.55 111.47 1s4d n ASP 204 Ca 0.35 -1.51 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 1s4d n ASP 204 Cb 1.26 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 1s4d n ASP 204 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s4d s GLU 205 N -1.91 4.13 0.23 -1.24 2.12 0.11 -4.74 118.70 117.41 1s4d s GLU 205 Ca 0.35 2.58 -0.32 0.00 0.36 0.00 0.00 54.97 57.94 1s4d s GLU 205 Cb 0.18 -3.07 -0.13 0.00 0.26 0.00 0.00 34.13 31.37 1s4d s GLU 205 CO 0.29 -0.71 1.45 -2.30 -0.54 0.00 0.00 175.26 173.45 1s4d n PRO 206 N 3.60 2.11 -4.17 4.30 -0.02 -1.26 -1.59 135.00 137.97 1s4d n PRO 206 Ca 0.14 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 62.20 1s4d n PRO 206 Cb 0.36 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 1s4d n PRO 206 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1s4d s VAL 207 N 0.10 0.90 -0.04 -1.45 -7.23 -0.60 -0.87 120.40 111.21 1s4d s VAL 207 Ca 0.69 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.79 1s4d s VAL 207 Cb -0.64 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 1s4d s VAL 207 CO 0.48 -0.21 -0.20 0.00 -0.31 0.00 0.00 175.10 174.86 1s4d s ALA 208 N -1.17 1.70 -0.17 1.32 0.00 0.36 0.01 121.76 123.81 1s4d s ALA 208 Ca -0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1s4d s ALA 208 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1s4d s ALA 208 CO 0.01 0.34 0.10 -0.06 0.00 0.00 0.00 175.76 176.16 1s4d s PHE 209 N -0.12 3.39 -0.24 0.00 0.08 0.85 -0.46 117.98 121.48 1s4d s PHE 209 Ca -0.01 0.29 -0.01 0.00 0.12 0.00 0.00 56.93 57.32 1s4d s PHE 209 Cb -0.11 -2.06 0.07 0.00 -0.57 0.00 0.00 43.02 40.34 1s4d s PHE 209 CO 0.02 0.36 -0.00 0.08 -0.10 0.00 0.00 175.22 175.58 1s4d s VAL 210 N -0.03 1.14 -0.11 -0.44 1.01 -0.01 -1.36 120.40 120.60 1s4d s VAL 210 Ca 0.08 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 1s4d s VAL 210 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1s4d s VAL 210 CO 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 175.10 174.96 1s4d n ASN 212 N 2.10 -0.39 -4.67 0.00 4.13 -0.17 -2.06 115.26 114.20 1s4d n ASN 212 Ca -0.19 -1.08 -0.43 0.00 1.68 0.00 0.00 54.58 54.56 1s4d n ASN 212 Cb 0.54 -2.69 -0.01 0.00 -1.54 0.00 0.00 39.78 36.09 1s4d n ASN 212 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s4d n ALA 213 N -4.45 0.93 -3.35 5.41 0.00 -1.26 -3.13 120.51 114.65 1s4d n ALA 213 Ca -0.30 0.37 -0.19 0.00 0.00 0.00 0.00 53.44 53.33 1s4d n ALA 213 Cb 0.68 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 18.00 1s4d n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 214 N 0.35 -1.09 -2.15 0.00 0.00 -1.26 -4.47 120.51 111.89 1s4d n ALA 214 Ca 0.06 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 1s4d n ALA 214 Cb 0.35 -4.27 -0.10 0.00 0.00 0.00 0.00 19.45 15.42 1s4d n ALA 214 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4d s THR 215 N -3.26 0.33 0.40 0.00 -4.23 -1.18 -1.22 115.64 106.47 1s4d s THR 215 Ca 0.42 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 59.22 1s4d s THR 215 Cb -0.19 -1.82 0.39 0.00 1.34 0.00 0.00 72.50 72.22 1s4d s THR 215 CO 0.58 -0.71 1.80 1.55 -0.54 0.00 0.00 174.62 177.29 1s4d h PRO 216 N 2.95 0.40 -0.81 3.99 0.13 -1.96 -2.36 132.00 134.34 1s4d h PRO 216 Ca -0.35 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1s4d h PRO 216 Cb 1.17 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1s4d h PRO 216 CO 0.63 0.27 0.01 0.00 -0.23 0.00 0.00 178.00 178.67 1s4d n GLN 217 N -4.59 2.76 -1.86 0.86 0.00 -1.26 -4.93 117.38 108.37 1s4d n GLN 217 Ca 0.23 -1.45 -0.42 0.00 0.00 0.00 0.00 57.00 55.37 1s4d n GLN 217 Cb 0.82 -1.85 -0.02 0.00 0.00 0.00 0.00 30.24 29.19 1s4d n GLN 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1s4d s GLN 218 N -1.80 4.17 -0.01 2.61 0.74 -0.89 -4.76 119.66 119.72 1s4d s GLN 218 Ca 0.25 2.48 0.02 0.00 0.05 0.00 0.00 55.36 58.17 1s4d s GLN 218 Cb 0.19 -3.06 -0.00 0.00 1.10 0.00 0.00 33.01 31.24 1s4d s GLN 218 CO 0.07 -0.57 -0.08 0.00 -0.55 0.00 0.00 175.29 174.16 1s4d s ALA 219 N 0.14 0.70 -0.08 1.58 0.00 -0.88 -5.01 121.76 118.22 1s4d s ALA 219 Ca 0.63 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1s4d s ALA 219 Cb -0.46 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1s4d s ALA 219 CO 0.44 0.15 -0.17 0.08 0.00 0.00 0.00 175.76 176.27 1s4d s VAL 220 N -0.07 1.50 -0.18 0.00 1.01 -1.26 -1.11 120.40 120.29 1s4d s VAL 220 Ca 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1s4d s VAL 220 Cb -0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1s4d s VAL 220 CO -0.00 0.44 -0.11 -0.22 0.00 0.00 0.00 175.10 175.21 1s4d s LEU 221 N 0.59 2.68 -0.14 3.92 0.20 -0.47 -4.97 118.68 120.49 1s4d s LEU 221 Ca -0.15 -0.42 -0.12 0.00 0.69 0.00 0.00 54.13 54.13 1s4d s LEU 221 Cb -0.16 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 43.91 1s4d s LEU 221 CO 0.05 0.05 0.25 -1.61 -0.29 0.00 0.00 176.35 174.81 1s4d s GLU 222 N 1.02 4.05 0.00 1.98 2.02 -1.26 -0.11 118.70 126.40 1s4d s GLU 222 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1s4d s GLU 222 Cb -0.15 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1s4d s GLU 222 CO -0.02 0.41 0.00 2.41 0.02 0.00 0.00 175.26 178.08 1s4d n THR 223 N 3.03 0.00 -3.58 3.63 -1.04 0.10 -5.00 114.28 111.42 1s4d n THR 223 Ca -0.14 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.70 1s4d n THR 223 Cb 0.53 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 1s4d n THR 223 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1s4d s THR 224 N -0.18 0.00 0.14 12.58 2.01 -1.26 -1.55 115.64 127.39 1s4d s THR 224 Ca 0.00 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1s4d s THR 224 Cb 0.00 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1s4d s THR 224 CO 0.00 -0.02 1.71 -0.07 -0.69 0.00 0.00 174.62 175.55 1s4d h LEU 225 N 3.75 -0.14 -0.63 4.42 3.38 -0.90 -1.37 115.31 123.82 1s4d h LEU 225 Ca -0.28 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1s4d h LEU 225 Cb 1.15 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1s4d h LEU 225 CO 0.29 -0.04 0.40 0.00 0.09 0.00 0.00 178.44 179.18 1s4d h ALA 226 N 1.24 0.79 -0.00 1.53 0.00 -1.51 -3.14 119.26 118.18 1s4d h ALA 226 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1s4d h ALA 226 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s4d h ALA 226 CO -0.23 0.24 -0.20 0.54 0.00 0.00 0.00 179.25 179.60 1s4d n ARG 227 N -4.63 0.19 -0.11 0.00 1.74 -0.98 -4.45 116.66 108.41 1s4d n ARG 227 Ca 0.05 -0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.01 1s4d n ARG 227 Cb 0.03 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 1s4d n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4d h ALA 228 N 3.17 0.41 -0.40 7.54 0.00 -1.21 0.29 119.26 129.06 1s4d h ALA 228 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1s4d h ALA 228 Cb 0.46 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1s4d h ALA 228 CO 0.00 -0.32 0.05 1.49 0.00 0.00 0.00 179.25 180.48 1s4d h GLU 229 N 0.21 0.67 -0.00 0.00 4.81 -1.81 -1.59 114.58 116.87 1s4d h GLU 229 Ca 0.18 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s4d h GLU 229 Cb 0.20 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1s4d h GLU 229 CO -0.23 0.73 0.00 0.00 -0.73 0.00 0.00 179.01 178.78 1s4d h ALA 230 N 0.92 0.00 -0.16 2.92 0.00 -1.82 -2.98 119.26 118.15 1s4d h ALA 230 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1s4d h ALA 230 Cb 0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1s4d h ALA 230 CO 0.01 -0.46 0.02 -0.44 0.00 0.00 0.00 179.25 178.38 1s4d h ASP 231 N -0.07 0.26 -0.47 0.00 3.32 -0.73 -0.18 116.42 118.54 1s4d h ASP 231 Ca 0.00 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 56.88 1s4d h ASP 231 Cb 0.08 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 1s4d h ASP 231 CO -0.00 0.46 -0.11 1.62 -1.72 0.00 0.00 179.24 179.49 1s4d h VAL 232 N 0.05 0.53 0.06 -1.35 3.04 -1.39 0.36 116.25 117.55 1s4d h VAL 232 Ca 0.05 -0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.76 1s4d h VAL 232 Cb 0.31 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 30.09 1s4d h VAL 232 CO 0.00 0.00 -0.18 0.00 -1.01 0.00 0.00 177.57 176.39 1s4d h ALA 233 N 1.47 -0.26 -0.50 3.17 0.00 -1.34 -1.75 119.26 120.06 1s4d h ALA 233 Ca 0.23 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1s4d h ALA 233 Cb 0.35 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1s4d h ALA 233 CO -0.49 -0.69 0.16 0.00 0.00 0.00 0.00 179.25 178.23 1s4d h ALA 234 N 0.55 0.60 0.00 0.00 0.00 -0.11 -1.38 119.26 118.92 1s4d h ALA 234 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s4d h ALA 234 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s4d h ALA 234 CO -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1s4d n ALA 235 N -2.45 1.76 -1.05 0.00 0.00 0.12 -4.89 120.51 114.00 1s4d n ALA 235 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 1s4d n ALA 235 Cb 0.22 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1s4d n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 236 N 0.21 0.51 3.78 0.00 0.00 -0.52 -5.01 105.19 104.16 1s4d n GLY 236 Ca 0.03 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1s4d n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 237 N -0.36 3.86 0.05 0.99 1.02 -1.03 -5.05 118.68 118.15 1s4d s LEU 237 Ca 0.00 2.12 0.03 0.00 0.02 0.00 0.00 54.13 56.30 1s4d s LEU 237 Cb 0.00 -4.48 -0.03 0.00 0.02 0.00 0.00 46.19 41.70 1s4d s LEU 237 CO 0.00 -0.98 -0.09 -1.61 0.02 0.00 0.00 176.35 173.69 1s4d s GLU 238 N -3.10 0.59 0.71 1.70 0.41 -1.26 -4.87 118.70 112.88 1s4d s GLU 238 Ca 0.68 -0.80 -0.17 0.00 -0.41 0.00 0.00 54.97 54.28 1s4d s GLU 238 Cb -0.22 -0.41 -0.06 0.00 -1.78 0.00 0.00 34.13 31.65 1s4d s GLU 238 CO 0.26 0.08 0.33 -2.30 -0.49 0.00 0.00 175.26 173.14 1s4d n PRO 239 N 1.42 0.24 -2.77 0.39 -0.02 -1.26 -4.36 135.00 128.64 1s4d n PRO 239 Ca -0.22 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 60.96 1s4d n PRO 239 Cb 0.54 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 1s4d n PRO 239 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s4d s PRO 240 N -2.43 4.63 0.08 0.52 0.04 -1.26 -4.92 135.00 131.67 1s4d s PRO 240 Ca 0.62 1.38 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1s4d s PRO 240 Cb -0.36 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1s4d s PRO 240 CO 0.61 0.16 -0.13 0.00 0.04 0.00 0.00 177.00 177.68 1s4d s ALA 241 N 0.25 1.17 -0.14 8.56 0.00 -1.26 -1.00 121.76 129.34 1s4d s ALA 241 Ca 0.47 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1s4d s ALA 241 Cb -0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1s4d s ALA 241 CO 0.28 0.12 -0.03 0.42 0.00 0.00 0.00 175.76 176.55 1s4d s ILE 242 N -1.57 3.96 -0.25 0.00 -1.09 0.22 -4.30 121.20 118.17 1s4d s ILE 242 Ca 0.00 -0.34 -0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1s4d s ILE 242 Cb -0.08 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1s4d s ILE 242 CO 0.02 0.51 0.05 -0.69 -1.23 0.00 0.00 174.94 173.61 1s4d s VAL 243 N 0.12 4.11 -0.16 2.92 1.01 -0.80 -0.83 120.40 126.77 1s4d s VAL 243 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1s4d s VAL 243 Cb -0.13 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1s4d s VAL 243 CO 0.03 0.32 -0.07 0.54 0.00 0.00 0.00 175.10 175.91 1s4d s VAL 244 N 1.58 3.42 -0.15 2.92 0.11 0.39 -0.62 120.40 128.05 1s4d s VAL 244 Ca 0.06 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.55 1s4d s VAL 244 Cb -0.15 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 1s4d s VAL 244 CO 0.02 0.48 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.57 1s4d s VAL 245 N 0.67 4.10 0.00 2.04 1.01 0.03 -0.49 120.40 127.77 1s4d s VAL 245 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1s4d s VAL 245 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1s4d s VAL 245 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1s4d n GLY 246 N 3.40 3.08 0.35 4.51 0.00 -0.05 -1.55 105.19 114.93 1s4d n GLY 246 Ca -0.17 -1.96 0.17 0.00 0.00 0.00 0.00 46.02 44.06 1s4d n GLY 246 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4d h GLU 247 N 0.00 0.00 -0.19 1.61 4.39 -1.84 -0.33 114.58 118.22 1s4d h GLU 247 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1s4d h GLU 247 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1s4d h GLU 247 CO 0.00 0.00 0.16 -0.39 -1.16 0.00 0.00 179.01 177.62 1s4d h VAL 248 N 0.00 0.75 -0.88 3.13 -1.51 -1.89 0.67 116.25 116.52 1s4d h VAL 248 Ca 0.06 0.00 0.18 0.00 -1.23 0.00 0.00 66.70 65.70 1s4d h VAL 248 Cb 0.71 0.89 -0.07 0.00 -2.13 0.00 0.00 31.29 30.69 1s4d h VAL 248 CO -0.00 0.00 0.58 0.58 -1.23 0.00 0.00 177.57 177.50 1s4d h VAL 249 N 0.00 0.75 0.00 7.19 2.07 -1.40 0.06 116.25 124.92 1s4d h VAL 249 Ca 0.09 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1s4d h VAL 249 Cb 0.40 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1s4d h VAL 249 CO -0.00 0.10 0.00 0.03 0.02 0.00 0.00 177.57 177.71 1s4d h ARG 250 N 0.52 0.00 0.00 1.57 3.08 -1.08 -2.31 114.38 116.17 1s4d h ARG 250 Ca 0.46 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.45 1s4d h ARG 250 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1s4d h ARG 250 CO -0.19 0.00 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.37 1s4d h LEU 251 N 0.00 0.00 -0.61 3.04 3.38 -1.09 -3.30 115.31 116.73 1s4d h LEU 251 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1s4d h LEU 251 Cb 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1s4d h LEU 251 CO 0.00 0.26 0.06 -0.09 0.09 0.00 0.00 178.44 178.77 1s4d h ARG 252 N 0.00 0.17 -0.27 1.13 2.43 -1.47 0.16 114.38 116.54 1s4d h ARG 252 Ca -0.00 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1s4d h ARG 252 Cb 0.91 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1s4d h ARG 252 CO 0.03 0.11 0.28 0.00 -1.51 0.00 0.00 179.97 178.89 1s4d h ALA 253 N 1.53 1.96 0.00 2.80 0.00 -1.79 -0.41 119.26 123.34 1s4d h ALA 253 Ca 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1s4d h ALA 253 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1s4d h ALA 253 CO -0.47 -0.42 -1.95 0.00 0.00 0.00 0.00 179.25 176.40 1s4d n ALA 254 N -2.37 2.70 0.30 0.00 0.00 0.29 -1.32 120.51 120.10 1s4d n ALA 254 Ca 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 52.99 1s4d n ALA 254 Cb 0.43 -0.67 0.03 0.00 0.00 0.00 0.00 19.45 19.23 1s4d n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4d n LEU 255 N -2.24 1.56 -4.57 0.00 4.77 0.31 -4.61 117.00 112.22 1s4d n LEU 255 Ca -0.05 -0.99 -0.21 0.00 -0.03 0.00 0.00 56.01 54.74 1s4d n LEU 255 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1s4d n LEU 255 CO 0.43 0.32 1.28 -0.62 -1.33 0.00 0.00 177.39 177.47 1s4d s ASP 256 N -0.62 4.29 0.32 -1.43 3.68 -0.21 -4.44 116.67 118.26 1s4d s ASP 256 Ca 0.08 -0.95 0.17 0.00 2.13 0.00 0.00 52.55 53.98 1s4d s ASP 256 Cb 0.06 -2.58 0.14 0.00 -1.45 0.00 0.00 42.92 39.09 1s4d s ASP 256 CO 0.09 -3.75 1.48 4.11 0.13 0.00 0.00 175.17 177.23 1s4d h TRP 257 N 11.17 0.00 0.00 -5.34 5.08 -1.89 -3.16 115.95 121.81 1s4d h TRP 257 Ca 0.09 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.92 1s4d h TRP 257 Cb 0.98 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.12 1s4d h TRP 257 CO 1.14 0.35 -0.64 0.82 -1.28 0.00 0.00 178.44 178.83 1s4d h ILE 258 N 0.00 1.16 -1.05 0.12 2.04 -1.84 -3.14 117.51 114.80 1s4d h ILE 258 Ca -0.00 -2.46 -0.53 0.00 1.00 0.00 0.00 64.86 62.86 1s4d h ILE 258 Cb 1.27 2.45 -0.16 0.00 -0.74 0.00 0.00 36.82 39.64 1s4d h ILE 258 CO 0.05 0.62 0.74 0.61 0.00 0.00 0.00 178.15 180.17 1s4d n GLY 259 N 1.03 4.46 1.82 5.37 0.00 -1.19 -4.37 105.19 112.32 1s4d n GLY 259 Ca 0.01 -1.90 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 1s4d n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d n ALA 260 N 1.09 2.80 0.00 4.61 0.00 -1.19 -2.49 120.51 125.33 1s4d n ALA 260 Ca 0.51 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1s4d n ALA 260 Cb 0.51 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1s4d n ALA 260 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s4d n ASP 262 N -0.11 0.00 -0.12 0.00 8.00 -1.26 -4.10 116.55 118.96 1s4d n ASP 262 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1s4d n ASP 262 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 1s4d n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s4d n GLY 263 N 0.00 0.73 2.97 0.44 0.00 -1.26 -5.12 105.19 102.95 1s4d n GLY 263 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1s4d n GLY 263 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s4d s ARG 264 N -2.02 1.90 -0.64 1.61 3.52 -1.04 -5.09 118.95 117.20 1s4d s ARG 264 Ca 0.00 -0.41 -0.26 0.00 -0.13 0.00 0.00 55.73 54.93 1s4d s ARG 264 Cb 0.00 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 1s4d s ARG 264 CO 0.00 -0.22 1.92 0.21 -0.81 0.00 0.00 175.30 176.40 1s4d s LYS 265 N 1.50 2.57 0.17 5.12 2.20 -1.26 -4.72 119.74 125.31 1s4d s LYS 265 Ca 0.03 0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 55.89 1s4d s LYS 265 Cb -0.13 -4.49 -0.09 0.00 -1.51 0.00 0.00 37.83 31.61 1s4d s LYS 265 CO -0.08 -2.87 1.43 -0.51 -0.36 0.00 0.00 175.35 172.96 1s4d s LEU 266 N 9.50 4.38 0.00 5.43 1.02 -1.26 -5.03 118.68 132.71 1s4d s LEU 266 Ca 0.70 2.48 -0.05 0.00 0.02 0.00 0.00 54.13 57.28 1s4d s LEU 266 Cb -0.12 -3.60 0.07 0.00 0.02 0.00 0.00 46.19 42.55 1s4d s LEU 266 CO 0.18 -0.68 0.27 0.00 0.02 0.00 0.00 176.35 176.14 1s4d n ALA 267 N 3.39 -0.66 -3.60 4.21 0.00 -0.44 -4.94 120.51 118.47 1s4d n ALA 267 Ca 0.10 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 1s4d n ALA 267 Cb 0.41 -0.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 1s4d n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d s ALA 268 N -3.30 0.79 0.00 0.00 0.00 -1.26 -4.47 121.76 113.52 1s4d s ALA 268 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1s4d s ALA 268 Cb -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1s4d s ALA 268 CO 0.13 -0.01 0.00 -3.47 0.00 0.00 0.00 175.76 172.41