#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d s ALA 7 N 0.00 -0.21 0.00 1.98 0.00 -1.26 -4.76 121.76 117.52 1s4d s ALA 7 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1s4d s ALA 7 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1s4d s ALA 7 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1s4d n GLY 8 N -0.10 1.32 3.78 0.00 0.00 -1.26 -5.10 105.19 103.83 1s4d n GLY 8 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 3.34 0.53 0.99 1.43 -1.26 -4.99 118.68 118.71 1s4d s LEU 9 Ca 0.00 1.91 -0.21 0.00 -1.03 0.00 0.00 54.13 54.79 1s4d s LEU 9 Cb 0.00 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 1s4d s LEU 9 CO 0.00 -1.59 1.26 -2.84 0.23 0.00 0.00 176.35 173.41 1s4d s PRO 10 N -4.29 3.27 0.47 1.29 0.02 -1.26 -5.01 135.00 129.51 1s4d s PRO 10 Ca 0.65 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 63.47 1s4d s PRO 10 Cb -0.19 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 1s4d s PRO 10 CO 0.44 -1.01 0.98 0.00 -0.33 0.00 0.00 177.00 177.08 1s4d s ALA 11 N -1.44 2.99 -0.93 -1.55 0.00 -1.26 -4.98 121.76 114.59 1s4d s ALA 11 Ca 0.71 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 1s4d s ALA 11 Cb -0.34 -3.17 0.11 0.00 0.00 0.00 0.00 23.12 19.71 1s4d s ALA 11 CO 0.40 -0.12 1.19 -1.17 0.00 0.00 0.00 175.76 176.06 1s4d s LEU 12 N -3.55 4.65 0.53 0.00 0.20 -1.26 -5.02 118.68 114.24 1s4d s LEU 12 Ca 0.63 -1.83 -0.22 0.00 0.69 0.00 0.00 54.13 53.40 1s4d s LEU 12 Cb -0.11 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 43.16 1s4d s LEU 12 CO 0.20 -1.19 1.31 -1.61 -0.29 0.00 0.00 176.35 174.77 1s4d s GLU 13 N 3.31 3.26 0.40 1.98 2.02 -1.26 -4.79 118.70 123.61 1s4d s GLU 13 Ca 0.35 2.13 -0.27 0.00 0.02 0.00 0.00 54.97 57.20 1s4d s GLU 13 Cb -0.05 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 31.81 1s4d s GLU 13 CO -0.08 -1.06 1.37 0.36 0.02 0.00 0.00 175.26 175.87 1s4d n LYS 14 N -0.94 2.26 -1.00 1.61 0.00 -1.26 -2.86 118.16 115.96 1s4d n LYS 14 Ca 0.10 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 1s4d n LYS 14 Cb 0.46 -2.51 0.00 0.00 -0.00 0.00 0.00 35.03 32.98 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 0.65 0.75 3.57 2.58 0.00 0.33 -4.95 105.19 108.11 1s4d n GLY 15 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.50 4.11 -0.10 1.61 1.04 -1.14 -4.39 113.70 112.33 1s4d s SER 16 Ca 0.00 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.61 1s4d s SER 16 Cb 0.00 -0.58 0.01 0.00 0.10 0.00 0.00 66.02 65.54 1s4d s SER 16 CO 0.00 -0.01 -0.21 -0.69 0.98 0.00 0.00 173.24 173.31 1s4d s VAL 17 N -2.42 1.84 -0.22 5.02 1.01 -0.84 -2.34 120.40 122.45 1s4d s VAL 17 Ca 0.31 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1s4d s VAL 17 Cb -0.05 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1s4d s VAL 17 CO 0.18 0.51 0.14 0.26 0.00 0.00 0.00 175.10 176.19 1s4d s TRP 18 N 0.57 3.36 -0.42 5.22 0.52 -0.83 -2.30 118.94 125.06 1s4d s TRP 18 Ca -0.14 0.27 -0.19 0.00 0.02 0.00 0.00 56.10 56.05 1s4d s TRP 18 Cb -0.17 -2.21 0.02 0.00 -1.15 0.00 0.00 33.47 29.96 1s4d s TRP 18 CO 0.05 0.17 0.56 -0.51 0.02 0.00 0.00 176.95 177.24 1s4d s LEU 19 N 0.71 4.61 -0.10 2.99 1.02 -0.19 -1.06 118.68 126.66 1s4d s LEU 19 Ca 0.08 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.83 1s4d s LEU 19 Cb -0.12 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.50 1s4d s LEU 19 CO 0.01 -0.68 -0.20 -0.69 0.02 0.00 0.00 176.35 174.81 1s4d s VAL 20 N 2.54 1.81 -0.04 -1.59 1.01 -0.28 0.06 120.40 123.90 1s4d s VAL 20 Ca 0.19 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1s4d s VAL 20 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1s4d s VAL 20 CO 0.16 0.50 1.35 -0.83 0.00 0.00 0.00 175.10 176.29 1s4d s GLY 21 N 0.53 1.87 0.00 4.51 0.00 -0.38 -0.52 107.32 113.34 1s4d s GLY 21 Ca -0.15 0.77 0.26 0.00 0.00 0.00 0.00 44.72 45.60 1s4d s GLY 21 CO 0.05 2.47 1.54 0.00 0.00 0.00 0.00 173.10 177.16 1s4d n ALA 22 N 5.59 3.27 -0.21 3.20 0.00 0.22 -4.63 120.51 127.94 1s4d n ALA 22 Ca 0.13 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1s4d n ALA 22 Cb 0.44 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 1.49 -2.20 0.00 0.00 0.00 -0.59 -4.40 105.19 99.49 1s4d n GLY 23 Ca 0.06 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.42 0.61 0.00 1.61 -0.04 -1.22 -1.68 135.00 132.85 1s4d n PRO 24 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1s4d n PRO 24 Cb 0.09 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.93 2.09 3.62 0.55 0.00 -1.26 -4.77 105.19 106.35 1s4d n GLY 25 Ca 0.17 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 3.64 -4.68 1.61 2.03 -0.35 -4.26 116.55 114.53 1s4d n ASP 26 Ca 0.00 0.51 -0.30 0.00 0.52 0.00 0.00 54.79 55.52 1s4d n ASP 26 Cb 0.00 -1.54 0.15 0.00 -0.72 0.00 0.00 41.12 39.01 1s4d n ASP 26 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1s4d s PRO 27 N 5.53 1.10 0.00 -0.67 0.04 -1.26 -1.57 135.00 138.18 1s4d s PRO 27 Ca 0.96 1.12 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1s4d s PRO 27 Cb -0.39 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1s4d s PRO 27 CO 0.39 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1s4d n GLY 28 N -0.47 3.06 0.29 0.56 0.00 -1.26 -4.63 105.19 102.73 1s4d n GLY 28 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 1.30 -4.70 0.99 4.77 -0.61 -4.92 117.00 113.83 1s4d n LEU 29 Ca 0.00 -0.41 -0.39 0.00 -0.03 0.00 0.00 56.01 55.18 1s4d n LEU 29 Cb 0.00 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1s4d n LEU 29 CO 0.00 0.25 0.86 0.18 -1.33 0.00 0.00 177.39 177.35 1s4d n LEU 30 N -0.58 4.77 -4.84 2.23 4.77 -1.26 -4.52 117.00 117.57 1s4d n LEU 30 Ca 0.10 0.97 -0.32 0.00 -0.03 0.00 0.00 56.01 56.73 1s4d n LEU 30 Cb 0.38 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 1s4d n LEU 30 CO 0.29 -0.89 0.69 0.42 -1.33 0.00 0.00 177.39 176.57 1s4d s THR 31 N -1.31 4.47 0.21 -5.08 -4.23 -1.26 -4.93 115.64 103.51 1s4d s THR 31 Ca 0.70 1.09 -0.09 0.00 -1.18 0.00 0.00 61.69 62.22 1s4d s THR 31 Cb -0.44 -3.70 0.17 0.00 1.34 0.00 0.00 72.50 69.87 1s4d s THR 31 CO 0.51 -0.76 1.71 -0.07 -0.54 0.00 0.00 174.62 175.47 1s4d h LEU 32 N 0.57 0.07 -0.67 4.79 3.38 -1.98 -0.80 115.31 120.67 1s4d h LEU 32 Ca -0.46 0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.75 1s4d h LEU 32 Cb 1.19 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 1s4d h LEU 32 CO 0.61 0.04 0.10 0.45 0.09 0.00 0.00 178.44 179.73 1s4d h HIS 33 N 0.30 0.14 0.36 1.13 3.86 -1.97 0.55 115.15 119.53 1s4d h HIS 33 Ca 0.32 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1s4d h HIS 33 Cb 0.47 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 1s4d h HIS 33 CO -0.23 -0.10 -0.52 0.00 0.86 0.00 0.00 177.93 177.94 1s4d h ALA 34 N 1.57 -1.09 -0.81 2.45 0.00 -1.51 0.11 119.26 119.98 1s4d h ALA 34 Ca 0.36 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1s4d h ALA 34 Cb 0.59 0.80 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1s4d h ALA 34 CO -0.50 -1.17 0.41 0.00 0.00 0.00 0.00 179.25 178.00 1s4d h ALA 35 N -0.74 1.19 -0.12 0.00 0.00 -0.79 0.23 119.26 119.03 1s4d h ALA 35 Ca -0.04 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1s4d h ALA 35 Cb 0.84 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1s4d h ALA 35 CO -0.15 -0.08 -0.09 -0.97 0.00 0.00 0.00 179.25 177.96 1s4d h ASN 36 N 0.61 -0.30 -0.43 0.00 -0.00 -0.65 -0.43 115.58 114.38 1s4d h ASN 36 Ca 0.43 0.06 0.01 0.00 -0.00 0.00 0.00 56.30 56.80 1s4d h ASN 36 Cb 0.57 0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 39.02 1s4d h ASN 36 CO -0.34 -0.13 0.28 0.00 -0.00 0.00 0.00 177.43 177.24 1s4d h ALA 37 N 0.99 0.55 -0.89 1.57 0.00 0.11 -2.70 119.26 118.89 1s4d h ALA 37 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1s4d h ALA 37 Cb 0.22 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1s4d h ALA 37 CO -0.18 -0.02 0.56 -0.07 0.00 0.00 0.00 179.25 179.54 1s4d h LEU 38 N 0.57 0.89 0.00 0.00 -0.00 -0.35 -0.92 115.31 115.50 1s4d h LEU 38 Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1s4d h LEU 38 Cb -0.05 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 1s4d h LEU 38 CO -0.05 0.58 0.00 -1.14 -0.00 0.00 0.00 178.44 177.83 1s4d n ARG 39 N -4.58 0.22 0.00 1.13 0.63 -0.20 -3.63 116.66 110.24 1s4d n ARG 39 Ca 0.13 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1s4d n ARG 39 Cb 0.16 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1s4d n ARG 39 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s4d n GLN 40 N -1.33 -0.05 -2.12 -0.14 10.64 -0.89 -4.26 117.38 119.22 1s4d n GLN 40 Ca 0.09 -0.12 -0.38 0.00 -1.83 0.00 0.00 57.00 54.76 1s4d n GLN 40 Cb 0.18 -0.55 -0.00 0.00 -0.86 0.00 0.00 30.24 29.00 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s4d s ALA 41 N -0.01 3.08 -0.12 2.61 0.00 -0.40 -4.89 121.76 122.03 1s4d s ALA 41 Ca 0.00 1.10 0.15 0.00 0.00 0.00 0.00 51.96 53.22 1s4d s ALA 41 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1s4d s ALA 41 CO 0.00 -0.80 1.07 -0.44 0.00 0.00 0.00 175.76 175.59 1s4d h ASP 42 N 2.29 0.00 -3.56 0.00 3.32 -0.84 -3.44 116.42 114.18 1s4d h ASP 42 Ca -0.50 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 1s4d h ASP 42 Cb 1.25 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.59 1s4d h ASP 42 CO 0.61 0.59 0.02 0.54 -1.72 0.00 0.00 179.24 179.28 1s4d s VAL 43 N -2.92 -0.00 -0.24 -1.35 0.11 -1.16 -3.22 120.40 111.63 1s4d s VAL 43 Ca -0.00 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1s4d s VAL 43 Cb 0.08 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1s4d s VAL 43 CO 0.79 0.00 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.87 1s4d s ILE 44 N 0.90 3.02 -0.35 7.04 1.01 -0.84 -1.61 121.20 130.38 1s4d s ILE 44 Ca -0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1s4d s ILE 44 Cb -0.05 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1s4d s ILE 44 CO -0.08 0.30 0.31 -0.69 0.00 0.00 0.00 174.94 174.78 1s4d s VAL 45 N 1.38 5.22 0.16 2.92 1.01 0.49 -1.95 120.40 129.64 1s4d s VAL 45 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1s4d s VAL 45 Cb -0.16 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1s4d s VAL 45 CO -0.05 -0.09 -0.12 -1.38 0.00 0.00 0.00 175.10 173.46 1s4d s HIS 46 N 1.87 1.44 0.79 5.22 -0.00 -1.07 -0.95 115.29 122.59 1s4d s HIS 46 Ca 0.09 -0.66 -0.05 0.00 -0.00 0.00 0.00 55.06 54.43 1s4d s HIS 46 Cb -0.17 -0.71 0.15 0.00 -0.00 0.00 0.00 32.58 31.85 1s4d s HIS 46 CO 0.11 0.19 1.09 -0.51 -0.00 0.00 0.00 174.74 175.62 1s4d s ASP 47 N -3.09 4.00 -0.21 7.38 -0.00 -1.18 -0.53 116.67 123.05 1s4d s ASP 47 Ca 0.17 -0.16 -0.02 0.00 -0.00 0.00 0.00 52.55 52.53 1s4d s ASP 47 Cb 0.00 -0.13 -0.07 0.00 -0.00 0.00 0.00 42.92 42.73 1s4d s ASP 47 CO 0.03 -2.11 0.46 0.00 -0.00 0.00 0.00 175.17 173.55 1s4d n ALA 48 N -3.11 0.22 -2.81 5.23 0.00 -1.26 -4.89 120.51 113.90 1s4d n ALA 48 Ca 0.15 -0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1s4d n ALA 48 Cb 0.60 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 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 0.22 3.84 0.40 0.00 1.43 -1.26 -4.81 118.68 118.49 1s4d s LEU 49 Ca 0.28 0.03 0.16 0.00 -1.03 0.00 0.00 54.13 53.57 1s4d s LEU 49 Cb -0.19 -2.00 0.84 0.00 0.03 0.00 0.00 46.19 44.87 1s4d s LEU 49 CO 0.12 0.10 1.85 0.58 0.23 0.00 0.00 176.35 179.23 1s4d h VAL 50 N 5.05 1.08 -3.19 -1.59 2.07 -1.91 -3.39 116.25 114.38 1s4d h VAL 50 Ca -0.37 -1.19 -0.57 0.00 0.82 0.00 0.00 66.70 65.39 1s4d h VAL 50 Cb 1.17 1.67 -0.37 0.00 -1.52 0.00 0.00 31.29 32.24 1s4d h VAL 50 CO 0.66 0.32 -0.82 0.20 0.02 0.00 0.00 177.57 177.96 1s4d s ASN 51 N -6.72 2.59 -0.04 0.57 -0.87 -1.26 -4.96 114.94 104.25 1s4d s ASN 51 Ca -0.02 -0.48 0.01 0.00 -1.57 0.00 0.00 52.86 50.81 1s4d s ASN 51 Cb 0.14 -1.04 0.10 0.00 -0.02 0.00 0.00 41.25 40.43 1s4d s ASN 51 CO 0.69 -0.10 0.80 -0.62 -2.57 0.00 0.00 177.10 175.30 1s4d n GLU 52 N 4.83 1.40 0.07 -0.60 1.02 -1.26 -4.12 120.64 121.98 1s4d n GLU 52 Ca -0.15 -0.39 -0.22 0.00 -0.02 0.00 0.00 57.16 56.38 1s4d n GLU 52 Cb 0.49 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.30 1s4d n GLU 52 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1s4d h ASP 53 N 0.39 0.59 1.14 1.62 5.19 -1.93 -3.36 116.42 120.06 1s4d h ASP 53 Ca 0.02 -0.86 0.00 0.00 -0.62 0.00 0.00 57.03 55.58 1s4d h ASP 53 Cb 0.85 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1s4d h ASP 53 CO 0.09 1.72 0.00 0.00 -3.12 0.00 0.00 179.24 177.93 1s4d h LEU 55 N 0.00 0.00 0.00 0.00 3.38 -1.86 -2.27 115.31 114.55 1s4d h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s4d h LEU 55 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1s4d h LEU 55 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1s4d n LYS 56 N -2.92 0.95 0.00 1.13 4.76 -0.68 -2.34 118.16 119.06 1s4d n LYS 56 Ca -0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.55 1s4d n LYS 56 Cb 0.21 -1.32 0.20 0.00 -1.84 0.00 0.00 35.03 32.28 1s4d n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1s4d n LEU 57 N -0.82 0.99 -4.77 -0.35 7.99 -0.85 -4.97 117.00 114.22 1s4d n LEU 57 Ca 0.15 -0.28 -0.38 0.00 -0.01 0.00 0.00 56.01 55.48 1s4d n LEU 57 Cb 0.07 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.23 1s4d n LEU 57 CO 0.11 0.21 0.84 0.00 -1.51 0.00 0.00 177.39 177.04 1s4d s ALA 58 N -2.75 3.20 0.53 -1.18 0.00 -0.99 -3.57 121.76 117.00 1s4d s ALA 58 Ca 0.16 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 1s4d s ALA 58 Cb 0.18 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 1s4d s ALA 58 CO 0.64 -0.50 1.27 2.89 0.00 0.00 0.00 175.76 180.06 1s4d n ARG 59 N 0.21 1.60 -0.04 0.00 1.85 -1.25 -4.91 116.66 114.13 1s4d n ARG 59 Ca 0.04 0.59 0.11 0.00 -1.00 0.00 0.00 57.85 57.59 1s4d n ARG 59 Cb 0.46 -2.46 0.49 0.00 -1.05 0.00 0.00 32.46 29.90 1s4d n ARG 59 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1s4d n PRO 60 N -0.77 1.52 -2.92 2.89 -0.04 -1.26 -2.83 135.00 131.58 1s4d n PRO 60 Ca 0.10 -0.77 -0.33 0.00 -0.04 0.00 0.00 63.50 62.46 1s4d n PRO 60 Cb 0.44 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1s4d n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s4d n GLY 61 N 1.07 5.63 3.03 0.55 0.00 -1.26 -5.01 105.19 109.20 1s4d n GLY 61 Ca 0.17 -2.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.17 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 -3.54 1.94 0.37 4.61 0.00 -1.13 -4.91 121.76 119.10 1s4d s ALA 62 Ca 0.43 -1.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 1s4d s ALA 62 Cb 0.22 -1.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.11 1s4d s ALA 62 CO -0.10 -0.46 1.45 0.28 0.00 0.00 0.00 175.76 176.94 1s4d n VAL 63 N 4.74 1.96 -3.53 0.00 0.31 -1.20 -4.89 118.33 115.72 1s4d n VAL 63 Ca -0.17 -0.49 -0.27 0.00 -0.01 0.00 0.00 64.34 63.40 1s4d n VAL 63 Cb 0.49 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 1s4d n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1s4d n LEU 64 N 0.59 2.66 -4.76 7.52 4.32 -1.26 -1.98 117.00 124.09 1s4d n LEU 64 Ca 0.02 -5.17 -0.41 0.00 -0.02 0.00 0.00 56.01 50.43 1s4d n LEU 64 Cb 0.38 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 1s4d n LEU 64 CO 0.64 1.95 0.95 -1.61 -1.22 0.00 0.00 177.39 178.10 1s4d s GLU 65 N -1.76 4.41 -0.38 3.23 2.02 -0.82 -4.99 118.70 120.40 1s4d s GLU 65 Ca 0.34 2.12 -0.13 0.00 0.02 0.00 0.00 54.97 57.32 1s4d s GLU 65 Cb 0.08 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 31.22 1s4d s GLU 65 CO -0.09 -0.14 0.24 0.12 0.02 0.00 0.00 175.26 175.41 1s4d s PHE 66 N -0.84 3.24 0.18 1.61 5.36 -1.26 -2.58 117.98 123.69 1s4d s PHE 66 Ca 0.50 -0.73 -0.11 0.00 -0.96 0.00 0.00 56.93 55.63 1s4d s PHE 66 Cb -0.38 -2.50 0.09 0.00 -0.34 0.00 0.00 43.02 39.90 1s4d s PHE 66 CO 0.47 -0.59 1.73 0.00 -1.46 0.00 0.00 175.22 175.38 1s4d h ALA 67 N 8.51 0.84 -3.00 11.12 0.00 -1.15 -3.47 119.26 132.12 1s4d h ALA 67 Ca -0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1s4d h ALA 67 Cb 1.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1s4d h ALA 67 CO 0.69 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1s4d n GLY 68 N -0.81 0.67 3.60 0.00 0.00 -1.26 -4.78 105.19 102.61 1s4d n GLY 68 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1s4d n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s4d n LYS 69 N 0.00 1.93 0.00 1.61 2.85 -1.26 -4.57 118.16 118.72 1s4d n LYS 69 Ca 0.00 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 1s4d n LYS 69 Cb 0.00 -3.23 0.00 0.00 -0.65 0.00 0.00 35.03 31.15 1s4d n LYS 69 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1s4d n PRO 74 N 8.77 0.00 -3.43 -1.58 -0.02 -1.26 -5.04 135.00 132.45 1s4d n PRO 74 Ca 0.30 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 1s4d n PRO 74 Cb 0.45 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.82 1s4d n PRO 74 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s4d s SER 75 N 0.00 2.20 0.30 2.55 0.15 -1.26 -5.14 113.70 112.49 1s4d s SER 75 Ca 0.00 -1.50 -0.29 0.00 0.70 0.00 0.00 55.95 54.86 1s4d s SER 75 Cb 0.00 0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 64.34 1s4d s SER 75 CO 0.00 -0.34 1.35 -2.16 1.20 0.00 0.00 173.24 173.29 1s4d s PRO 76 N 1.67 4.33 0.26 5.44 0.04 -1.26 -5.02 135.00 140.46 1s4d s PRO 76 Ca 0.14 2.24 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 1s4d s PRO 76 Cb -0.17 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 1s4d s PRO 76 CO -0.15 -0.27 0.68 0.21 0.04 0.00 0.00 177.00 177.51 1s4d s LYS 77 N -1.30 4.03 0.14 4.56 2.47 -1.26 -4.96 119.74 123.42 1s4d s LYS 77 Ca 0.52 0.64 0.00 0.00 -1.56 0.00 0.00 55.97 55.58 1s4d s LYS 77 Cb -0.40 -2.64 0.32 0.00 -1.46 0.00 0.00 37.83 33.65 1s4d s LYS 77 CO 0.50 0.28 0.69 0.94 0.16 0.00 0.00 175.35 177.92 1s4d n GLN 78 N 0.09 -0.04 -0.20 4.03 -0.06 -1.26 -0.33 117.38 119.62 1s4d n GLN 78 Ca 0.00 0.66 0.00 0.00 -2.00 0.00 0.00 57.00 55.67 1s4d n GLN 78 Cb 0.52 -1.04 0.09 0.00 -4.06 0.00 0.00 30.24 25.75 1s4d n GLN 78 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1s4d h ARG 79 N 0.00 0.12 -0.42 3.69 2.43 -1.99 0.19 114.38 118.41 1s4d h ARG 79 Ca 0.26 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.29 1s4d h ARG 79 Cb 0.53 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1s4d h ARG 79 CO -0.42 0.08 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.41 1s4d h ASP 80 N 0.13 0.93 0.29 -3.80 3.32 -1.06 -0.41 116.42 115.81 1s4d h ASP 80 Ca 0.31 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1s4d h ASP 80 Cb 0.49 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1s4d h ASP 80 CO -0.50 1.14 -0.14 0.40 -1.72 0.00 0.00 179.24 178.42 1s4d h ILE 81 N 0.76 0.75 -0.29 0.35 2.04 -1.37 -0.17 117.51 119.58 1s4d h ILE 81 Ca 0.09 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1s4d h ILE 81 Cb 0.83 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1s4d h ILE 81 CO 0.07 0.10 -0.15 0.28 0.00 0.00 0.00 178.15 178.46 1s4d h SER 82 N -0.66 -0.49 -0.61 1.72 0.02 -0.58 -0.97 113.55 111.98 1s4d h SER 82 Ca -0.04 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1s4d h SER 82 Cb 0.46 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1s4d h SER 82 CO 0.06 -0.18 0.35 -0.07 -1.14 0.00 0.00 176.83 175.85 1s4d h LEU 83 N -0.11 0.74 -0.68 5.07 3.38 -1.08 -1.90 115.31 120.75 1s4d h LEU 83 Ca 0.15 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1s4d h LEU 83 Cb 0.34 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 1s4d h LEU 83 CO -0.36 0.60 -0.46 -0.09 0.09 0.00 0.00 178.44 178.22 1s4d h ARG 84 N 0.82 -0.17 -0.41 1.13 9.65 -0.41 0.71 114.38 125.69 1s4d h ARG 84 Ca 0.22 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.19 1s4d h ARG 84 Cb 0.01 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.54 1s4d h ARG 84 CO -0.04 -0.12 -0.20 -0.07 2.80 0.00 0.00 179.97 182.35 1s4d h LEU 85 N -0.18 -0.67 -0.89 3.80 3.38 -0.43 -0.29 115.31 120.02 1s4d h LEU 85 Ca 0.19 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1s4d h LEU 85 Cb 0.55 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1s4d h LEU 85 CO -0.75 -0.23 0.37 1.62 0.09 0.00 0.00 178.44 179.54 1s4d h VAL 86 N -0.12 1.25 -0.33 1.22 3.04 -0.76 -1.14 116.25 119.42 1s4d h VAL 86 Ca 0.20 -0.74 -0.06 0.00 -1.01 0.00 0.00 66.70 65.09 1s4d h VAL 86 Cb 0.43 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 29.93 1s4d h VAL 86 CO -0.49 0.31 -0.07 -0.08 -1.01 0.00 0.00 177.57 176.23 1s4d h GLU 87 N 1.15 0.54 -0.54 4.17 4.81 -0.08 -1.77 114.58 122.86 1s4d h GLU 87 Ca 0.28 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1s4d h GLU 87 Cb 0.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1s4d h GLU 87 CO -0.03 0.62 0.04 -0.07 -0.73 0.00 0.00 179.01 178.84 1s4d h LEU 88 N 0.51 0.89 -0.26 1.64 4.07 -0.68 -3.19 115.31 118.30 1s4d h LEU 88 Ca 0.10 -0.29 -0.07 0.00 0.08 0.00 0.00 57.88 57.70 1s4d h LEU 88 Cb 0.44 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1s4d h LEU 88 CO 0.02 0.96 -0.11 0.00 -1.08 0.00 0.00 178.44 178.23 1s4d h ALA 89 N 0.97 0.36 0.00 1.53 0.00 -0.58 -2.87 119.26 118.67 1s4d h ALA 89 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1s4d h ALA 89 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s4d h ALA 89 CO 0.02 0.22 -0.12 0.07 0.00 0.00 0.00 179.25 179.43 1s4d h ARG 90 N 0.27 0.00 -0.23 0.00 0.11 -1.45 -0.49 114.38 112.59 1s4d h ARG 90 Ca 0.06 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.10 1s4d h ARG 90 Cb 0.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.68 1s4d h ARG 90 CO 0.04 0.12 -0.04 0.00 0.10 0.00 0.00 179.97 180.19 1s4d h ALA 91 N 1.88 1.51 0.00 0.08 0.00 -1.49 -3.47 119.26 117.77 1s4d h ALA 91 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s4d h ALA 91 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s4d h ALA 91 CO 0.02 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1s4d n GLY 92 N -0.97 1.19 3.72 0.00 0.00 -0.19 -5.02 105.19 103.92 1s4d n GLY 92 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.38 3.90 -0.49 1.61 -0.87 -1.19 -3.49 114.94 113.02 1s4d s ASN 93 Ca 0.00 2.18 -0.22 0.00 -1.57 0.00 0.00 52.86 53.25 1s4d s ASN 93 Cb 0.00 -2.57 0.04 0.00 -0.02 0.00 0.00 41.25 38.70 1s4d s ASN 93 CO 0.00 -2.45 0.76 -0.13 -2.57 0.00 0.00 177.10 172.71 1s4d s ARG 94 N -4.34 3.29 -0.02 -0.60 0.52 -1.26 -0.51 118.95 116.02 1s4d s ARG 94 Ca 0.69 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 55.45 1s4d s ARG 94 Cb -0.24 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.17 1s4d s ARG 94 CO 0.51 -1.23 0.21 0.08 0.02 0.00 0.00 175.30 174.89 1s4d s VAL 95 N 3.23 5.40 -0.11 3.52 1.01 -0.99 -0.08 120.40 132.38 1s4d s VAL 95 Ca 0.25 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1s4d s VAL 95 Cb -0.14 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1s4d s VAL 95 CO 0.18 0.40 0.07 -0.22 0.00 0.00 0.00 175.10 175.54 1s4d s LEU 96 N -1.69 0.26 -0.49 3.92 2.96 -0.63 -1.97 118.68 121.03 1s4d s LEU 96 Ca 0.25 -0.28 -0.17 0.00 -0.22 0.00 0.00 54.13 53.71 1s4d s LEU 96 Cb -0.13 -0.20 0.07 0.00 0.50 0.00 0.00 46.19 46.43 1s4d s LEU 96 CO 0.15 -0.30 0.51 -0.60 -1.32 0.00 0.00 176.35 174.79 1s4d s ARG 97 N 2.15 3.05 -0.46 1.98 6.06 -0.23 -0.38 118.95 131.12 1s4d s ARG 97 Ca 0.03 -1.14 -0.18 0.00 -2.50 0.00 0.00 55.73 51.95 1s4d s ARG 97 Cb -0.14 -4.12 0.04 0.00 0.06 0.00 0.00 34.95 30.79 1s4d s ARG 97 CO -0.06 -1.14 0.53 -1.17 -2.50 0.00 0.00 175.30 170.96 1s4d s LEU 98 N 2.14 4.92 0.07 -0.88 0.20 -0.12 -1.13 118.68 123.88 1s4d s LEU 98 Ca 0.09 -0.77 0.01 0.00 0.69 0.00 0.00 54.13 54.15 1s4d s LEU 98 Cb -0.22 -2.44 -0.04 0.00 -0.43 0.00 0.00 46.19 43.06 1s4d s LEU 98 CO 0.09 -0.73 0.22 -0.54 -0.29 0.00 0.00 176.35 175.10 1s4d s LYS 99 N 2.37 3.42 0.48 1.98 -0.14 0.32 -3.10 119.74 125.07 1s4d s LYS 99 Ca 0.14 -0.47 -0.23 0.00 -1.36 0.00 0.00 55.97 54.05 1s4d s LYS 99 Cb -0.18 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 32.89 1s4d s LYS 99 CO 0.13 0.59 1.25 0.20 -0.76 0.00 0.00 175.35 176.76 1s4d s GLY 100 N -2.62 2.83 0.00 -3.33 0.00 -1.26 -0.61 107.32 102.33 1s4d s GLY 100 Ca 0.35 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1s4d s GLY 100 CO 0.28 1.60 0.00 0.61 0.00 0.00 0.00 173.10 175.59 1s4d n GLY 101 N 0.57 3.56 3.30 0.20 0.00 -0.67 -4.58 105.19 107.56 1s4d n GLY 101 Ca 0.08 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 2.92 0.59 1.61 2.15 -1.25 -1.54 116.67 117.14 1s4d s ASP 102 Ca 0.00 -0.51 0.33 0.00 0.43 0.00 0.00 52.55 52.80 1s4d s ASP 102 Cb 0.00 -0.29 1.84 0.00 -0.30 0.00 0.00 42.92 44.17 1s4d s ASP 102 CO 0.00 0.27 2.22 -0.65 -0.17 0.00 0.00 175.17 176.83 1s4d h PRO 103 N 5.17 0.00 -0.05 4.34 0.11 -1.82 -2.98 132.00 136.78 1s4d h PRO 103 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s4d h PRO 103 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1s4d h PRO 103 CO 0.45 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.47 1s4d n PHE 104 N -3.55 0.04 -3.35 0.65 0.99 -1.26 -2.20 117.46 108.77 1s4d n PHE 104 Ca -0.02 -0.03 -0.40 0.00 -0.00 0.00 0.00 57.45 57.01 1s4d n PHE 104 Cb 0.14 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.59 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 0.94 4.05 -1.72 -4.37 0.31 -1.12 -4.64 118.33 111.77 1s4d n VAL 105 Ca 0.10 -5.44 0.00 0.00 -0.01 0.00 0.00 64.34 58.99 1s4d n VAL 105 Cb 0.42 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 1.97 0.00 -0.71 3.52 0.99 -1.26 -4.74 117.46 117.23 1s4d n PHE 106 Ca 0.25 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.75 1s4d n PHE 106 Cb 0.37 -0.86 0.08 0.00 -1.00 0.00 0.00 39.48 38.06 1s4d n PHE 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s4d n GLY 107 N -1.09 3.80 2.51 1.37 0.00 -1.26 -4.98 105.19 105.54 1s4d n GLY 107 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.99 -1.08 -0.35 1.61 1.74 -1.26 -4.91 116.66 111.41 1s4d n ARG 108 Ca 0.09 0.57 0.01 0.00 -0.77 0.00 0.00 57.85 57.75 1s4d n ARG 108 Cb 0.49 -4.54 0.16 0.00 -1.02 0.00 0.00 32.46 27.55 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 1.42 1.02 -0.13 0.00 -1.81 -2.32 103.07 101.25 1s4d h GLY 109 Ca -0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1s4d h GLY 109 CO 0.16 0.32 0.31 -1.33 0.00 0.00 0.00 176.54 176.00 1s4d h GLY 110 N 1.11 1.13 0.79 4.60 0.00 -1.91 -0.66 103.07 108.14 1s4d h GLY 110 Ca 0.40 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1s4d h GLY 110 CO -0.16 0.56 -0.20 0.83 0.00 0.00 0.00 176.54 177.56 1s4d h GLU 111 N 1.02 -0.43 0.04 4.80 5.08 -1.88 0.13 114.58 123.33 1s4d h GLU 111 Ca 0.24 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1s4d h GLU 111 Cb 0.17 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1s4d h GLU 111 CO -0.02 -0.29 -0.02 0.93 -1.00 0.00 0.00 179.01 178.61 1s4d h GLU 112 N -0.45 -0.05 -0.50 2.33 5.08 -1.28 0.12 114.58 119.83 1s4d h GLU 112 Ca -0.01 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1s4d h GLU 112 Cb 0.41 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1s4d h GLU 112 CO -0.03 -0.01 -0.07 0.00 -1.00 0.00 0.00 179.01 177.90 1s4d h ALA 113 N 0.89 0.40 -0.53 3.43 0.00 -1.04 0.18 119.26 122.59 1s4d h ALA 113 Ca -0.00 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1s4d h ALA 113 Cb 0.06 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1s4d h ALA 113 CO 0.01 -0.42 0.14 -0.07 0.00 0.00 0.00 179.25 178.91 1s4d h LEU 114 N 0.05 0.08 -0.30 0.00 -0.00 0.12 0.70 115.31 115.96 1s4d h LEU 114 Ca 0.25 0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 58.19 1s4d h LEU 114 Cb 0.38 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1s4d h LEU 114 CO -0.47 0.07 0.10 0.74 -0.00 0.00 0.00 178.44 178.88 1s4d h THR 115 N 0.30 1.20 -0.24 0.22 2.02 0.52 -1.48 112.91 115.44 1s4d h THR 115 Ca 0.26 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.88 1s4d h THR 115 Cb 0.34 1.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 1s4d h THR 115 CO -0.31 0.21 -0.41 -0.07 0.37 0.00 0.00 175.52 175.31 1s4d h LEU 116 N 0.34 -1.32 -0.04 2.58 4.07 -0.10 -1.92 115.31 118.92 1s4d h LEU 116 Ca 0.10 0.19 0.03 0.00 0.08 0.00 0.00 57.88 58.28 1s4d h LEU 116 Cb 0.23 0.56 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 1s4d h LEU 116 CO -0.00 -0.39 -0.19 0.58 -1.08 0.00 0.00 178.44 177.35 1s4d h VAL 117 N -0.41 0.53 0.00 1.22 2.07 -0.50 0.99 116.25 120.15 1s4d h VAL 117 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1s4d h VAL 117 Cb 0.60 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1s4d h VAL 117 CO -0.46 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 176.77 1s4d h GLU 118 N -0.29 0.00 -0.02 1.57 5.08 -1.12 0.45 114.58 120.25 1s4d h GLU 118 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1s4d h GLU 118 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1s4d h GLU 118 CO -0.21 0.03 -0.28 0.72 -1.00 0.00 0.00 179.01 178.27 1s4d n HIS 119 N -3.78 0.00 -1.99 4.33 8.25 -0.62 -4.97 115.22 116.43 1s4d n HIS 119 Ca -0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1s4d n HIS 119 Cb 0.11 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1s4d n HIS 119 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s4d n GLN 120 N 0.03 -0.45 -2.81 -0.41 6.02 0.25 -5.01 117.38 114.99 1s4d n GLN 120 Ca 0.12 0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 1s4d n GLN 120 Cb 0.44 -4.15 -0.03 0.00 1.02 0.00 0.00 30.24 27.52 1s4d n GLN 120 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s4d s VAL 121 N -2.28 4.80 0.44 5.09 1.01 -0.67 -5.01 120.40 123.79 1s4d s VAL 121 Ca 0.00 1.74 -0.25 0.00 0.00 0.00 0.00 61.98 63.47 1s4d s VAL 121 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1s4d s VAL 121 CO 0.00 -0.08 1.35 -2.84 0.00 0.00 0.00 175.10 173.54 1s4d s PRO 122 N 2.73 3.74 0.22 2.72 0.02 -1.26 -4.27 135.00 138.90 1s4d s PRO 122 Ca 0.39 2.25 -0.05 0.00 0.02 0.00 0.00 61.00 63.60 1s4d s PRO 122 Cb -0.16 -2.63 -0.03 0.00 0.02 0.00 0.00 34.50 31.71 1s4d s PRO 122 CO 0.09 -0.72 0.27 -0.59 -0.33 0.00 0.00 177.00 175.72 1s4d s PHE 123 N -1.26 0.86 0.01 6.54 -0.12 -1.26 -1.98 117.98 120.77 1s4d s PHE 123 Ca 0.61 -1.13 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 1s4d s PHE 123 Cb -0.40 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 41.71 1s4d s PHE 123 CO 0.51 -0.78 -0.05 0.50 -0.05 0.00 0.00 175.22 175.35 1s4d s ARG 124 N -4.09 0.35 -0.24 1.99 3.52 -0.97 -4.97 118.95 114.54 1s4d s ARG 124 Ca 0.33 -0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.42 1s4d s ARG 124 Cb 0.04 -0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 1s4d s ARG 124 CO 0.11 0.05 0.28 0.42 -0.81 0.00 0.00 175.30 175.35 1s4d s ILE 125 N -0.65 5.26 -0.40 4.11 -1.09 -1.26 -1.02 121.20 126.15 1s4d s ILE 125 Ca -0.04 0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 58.69 1s4d s ILE 125 Cb -0.05 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1s4d s ILE 125 CO -0.00 0.26 0.24 -0.69 -1.23 0.00 0.00 174.94 173.52 1s4d s VAL 126 N 1.45 4.47 0.77 2.92 1.01 0.11 -4.97 120.40 126.16 1s4d s VAL 126 Ca 0.13 -1.09 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1s4d s VAL 126 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1s4d s VAL 126 CO 0.08 -0.37 0.80 -2.65 0.00 0.00 0.00 175.10 172.96 1s4d n PRO 127 N 4.98 0.26 -4.31 2.72 -0.02 -1.26 -1.25 135.00 136.12 1s4d n PRO 127 Ca -0.11 0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.35 1s4d n PRO 127 Cb 0.45 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.73 1.62 -0.02 -1.23 0.00 -1.26 -4.28 107.32 100.41 1s4d s GLY 128 Ca 0.69 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.30 1s4d s GLY 128 CO 0.55 -1.61 1.13 -0.42 0.00 0.00 0.00 173.10 172.75 1s4d s ILE 129 N -3.63 4.39 0.24 0.90 -1.09 -1.25 -4.42 121.20 116.33 1s4d s ILE 129 Ca 0.33 1.71 -0.08 0.00 -2.23 0.00 0.00 60.65 60.38 1s4d s ILE 129 Cb 0.07 -4.09 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1s4d s ILE 129 CO 0.11 0.06 0.54 0.28 -1.23 0.00 0.00 174.94 174.70 1s4d s THR 130 N 1.63 4.98 0.24 2.92 -1.32 -1.26 -3.46 115.64 119.37 1s4d s THR 130 Ca 0.55 0.32 -0.06 0.00 -1.21 0.00 0.00 61.69 61.29 1s4d s THR 130 Cb -0.24 -3.65 0.18 0.00 -1.51 0.00 0.00 72.50 67.27 1s4d s THR 130 CO 0.25 -0.14 1.82 0.00 -2.21 0.00 0.00 174.62 174.34 1s4d h ALA 131 N 2.31 1.14 0.00 11.08 0.00 -1.94 -1.87 119.26 129.97 1s4d h ALA 131 Ca -0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1s4d h ALA 131 Cb 1.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1s4d h ALA 131 CO 0.69 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.98 1s4d n GLY 132 N -0.98 -0.56 1.50 0.00 0.00 -1.26 -1.68 105.19 102.22 1s4d n GLY 132 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1s4d n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s4d n ILE 133 N -1.45 0.55 -0.05 -0.61 5.41 -1.07 -4.63 119.36 117.51 1s4d n ILE 133 Ca 0.01 0.18 -0.13 0.00 1.00 0.00 0.00 62.75 63.81 1s4d n ILE 133 Cb 0.03 -1.07 -0.08 0.00 -0.71 0.00 0.00 39.64 37.82 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 0.00 0.30 -0.12 7.39 0.00 -1.47 -2.29 103.07 106.88 1s4d h GLY 134 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.08 1s4d h GLY 134 CO 0.00 0.27 -0.41 -1.33 0.00 0.00 0.00 176.54 175.08 1s4d h GLY 135 N -0.11 -0.58 1.20 4.60 0.00 -1.31 -1.60 103.07 105.28 1s4d h GLY 135 Ca 0.02 0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1s4d h GLY 135 CO 0.03 -0.20 0.42 1.41 0.00 0.00 0.00 176.54 178.19 1s4d h LEU 136 N -0.39 0.61 -1.32 3.11 3.38 -1.44 0.21 115.31 119.47 1s4d h LEU 136 Ca 0.11 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1s4d h LEU 136 Cb 0.59 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1s4d h LEU 136 CO -0.48 0.41 0.50 0.00 0.09 0.00 0.00 178.44 178.95 1s4d h ALA 137 N 1.64 1.62 0.00 1.53 0.00 -0.71 0.88 119.26 124.22 1s4d h ALA 137 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1s4d h ALA 137 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s4d h ALA 137 CO -0.08 0.28 0.00 1.88 0.00 0.00 0.00 179.25 181.33 1s4d h TYR 138 N 0.85 0.00 -0.02 0.00 -1.99 0.23 0.95 116.97 116.99 1s4d h TYR 138 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1s4d h TYR 138 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1s4d h TYR 138 CO -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 178.03 1s4d n ALA 139 N -2.00 2.81 -2.56 3.88 0.00 -0.28 -4.50 120.51 117.85 1s4d n ALA 139 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 1s4d n ALA 139 Cb 0.22 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 1.28 0.15 2.97 0.00 0.00 0.33 -4.55 105.19 105.37 1s4d n GLY 140 Ca 0.15 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.79 1.93 0.22 -0.61 1.01 0.15 -3.50 121.20 117.61 1s4d s ILE 141 Ca 0.12 -1.89 -0.30 0.00 0.00 0.00 0.00 60.65 58.58 1s4d s ILE 141 Cb -0.05 -2.31 -0.09 0.00 0.01 0.00 0.00 42.46 40.01 1s4d s ILE 141 CO 0.15 -0.42 1.20 -2.16 0.00 0.00 0.00 174.94 173.71 1s4d s PRO 142 N 1.13 4.50 0.49 2.79 0.04 -1.26 -3.69 135.00 138.99 1s4d s PRO 142 Ca 0.04 1.91 0.27 0.00 0.04 0.00 0.00 61.00 63.27 1s4d s PRO 142 Cb -0.19 -3.21 1.20 0.00 0.04 0.00 0.00 34.50 32.34 1s4d s PRO 142 CO -0.10 -0.05 1.94 -0.39 0.04 0.00 0.00 177.00 178.45 1s4d h VAL 143 N 3.54 0.46 -3.95 -0.36 -1.51 -1.88 -3.44 116.25 109.12 1s4d h VAL 143 Ca -0.45 -0.82 -0.30 0.00 -1.23 0.00 0.00 66.70 63.89 1s4d h VAL 143 Cb 1.21 1.58 -0.21 0.00 -2.13 0.00 0.00 31.29 31.74 1s4d h VAL 143 CO 0.72 0.15 -0.74 0.42 -1.23 0.00 0.00 177.57 176.89 1s4d s THR 144 N -3.83 0.67 -0.30 7.19 -4.23 -1.26 -4.81 115.64 109.07 1s4d s THR 144 Ca -0.01 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1s4d s THR 144 Cb 0.11 -0.77 0.13 0.00 1.34 0.00 0.00 72.50 73.31 1s4d s THR 144 CO 0.60 -0.38 0.68 -2.28 -0.54 0.00 0.00 174.62 172.70 1s4d s HIS 145 N -1.50 -1.27 -0.74 3.99 5.04 -1.26 -5.04 115.29 114.50 1s4d s HIS 145 Ca -0.07 2.23 -0.04 0.00 -1.54 0.00 0.00 55.06 55.64 1s4d s HIS 145 Cb -0.09 0.76 0.09 0.00 0.04 0.00 0.00 32.58 33.38 1s4d s HIS 145 CO 0.00 -0.63 2.62 -2.13 -2.34 0.00 0.00 174.74 172.26 1s4d n ARG 146 N 5.30 3.16 -3.70 2.88 0.63 -1.26 0.20 116.66 123.86 1s4d n ARG 146 Ca -0.13 -2.77 -0.17 0.00 -0.92 0.00 0.00 57.85 53.87 1s4d n ARG 146 Cb 0.50 -2.30 -0.16 0.00 0.45 0.00 0.00 32.46 30.95 1s4d n ARG 146 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1s4d s GLU 147 N -1.66 -0.01 0.00 -0.14 2.02 -1.26 -5.00 118.70 112.66 1s4d s GLU 147 Ca 0.57 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.96 1s4d s GLU 147 Cb 0.32 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1s4d s GLU 147 CO -0.19 -0.26 0.00 0.28 0.02 0.00 0.00 175.26 175.11 1s4d n VAL 148 N 4.91 0.00 -3.71 2.63 0.31 0.53 -5.05 118.33 117.94 1s4d n VAL 148 Ca -0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.07 1s4d n VAL 148 Cb 0.50 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.30 -0.28 0.00 4.52 4.22 -0.93 -4.85 114.94 116.32 1s4d s ASN 149 Ca 0.00 0.21 0.06 0.00 -2.14 0.00 0.00 52.86 50.98 1s4d s ASN 149 Cb 0.00 0.36 0.06 0.00 1.28 0.00 0.00 41.25 42.94 1s4d s ASN 149 CO 0.00 -0.48 0.73 1.41 -2.04 0.00 0.00 177.10 176.72 1s4d n HIS 150 N 1.21 0.03 -3.93 1.54 8.25 -1.26 -4.25 115.22 116.80 1s4d n HIS 150 Ca -0.21 -0.06 -0.10 0.00 -0.26 0.00 0.00 57.72 57.09 1s4d n HIS 150 Cb 0.56 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.53 -0.06 -0.01 -1.41 0.00 -1.26 -5.13 121.76 113.36 1s4d s ALA 151 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1s4d s ALA 151 Cb 0.05 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1s4d s ALA 151 CO 0.07 -0.17 -0.00 0.08 0.00 0.00 0.00 175.76 175.74 1s4d s VAL 152 N -1.37 0.09 -0.17 0.00 1.01 -1.26 -3.91 120.40 114.78 1s4d s VAL 152 Ca -0.15 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1s4d s VAL 152 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 1s4d s VAL 152 CO 0.00 0.06 -0.05 -0.89 0.00 0.00 0.00 175.10 174.22 1s4d s THR 153 N 0.37 3.63 -0.19 3.92 2.01 -0.47 -5.02 115.64 119.89 1s4d s THR 153 Ca -0.03 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.44 1s4d s THR 153 Cb -0.05 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1s4d s THR 153 CO -0.01 0.47 0.11 -0.36 -0.69 0.00 0.00 174.62 174.15 1s4d s PHE 154 N 0.71 3.39 0.10 4.92 0.40 -1.26 0.78 117.98 127.02 1s4d s PHE 154 Ca -0.02 0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1s4d s PHE 154 Cb -0.15 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 1s4d s PHE 154 CO 0.02 0.31 0.07 -0.48 0.70 0.00 0.00 175.22 175.84 1s4d s LEU 155 N 0.21 1.89 -0.14 -0.37 -0.00 0.06 -4.96 118.68 115.37 1s4d s LEU 155 Ca 0.08 -1.01 -0.06 0.00 -0.00 0.00 0.00 54.13 53.14 1s4d s LEU 155 Cb -0.11 0.48 -0.04 0.00 -0.00 0.00 0.00 46.19 46.52 1s4d s LEU 155 CO -0.01 -0.70 0.06 0.28 -0.00 0.00 0.00 176.35 175.98 1s4d s THR 156 N -3.96 4.80 -1.47 5.48 -1.32 -1.26 -0.87 115.64 117.03 1s4d s THR 156 Ca 0.14 -0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.83 1s4d s THR 156 Cb 0.07 -3.11 0.17 0.00 -1.51 0.00 0.00 72.50 68.12 1s4d s THR 156 CO -0.05 0.53 1.50 0.61 -2.21 0.00 0.00 174.62 175.01 1s4d n GLY 157 N 2.83 -0.85 3.56 6.08 0.00 0.14 -4.83 105.19 112.12 1s4d n GLY 157 Ca -0.18 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1s4d n GLY 157 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s4d s HIS 158 N -2.69 2.39 0.38 1.61 2.46 -0.92 -4.78 115.29 113.75 1s4d s HIS 158 Ca 0.19 0.13 -0.27 0.00 0.47 0.00 0.00 55.06 55.58 1s4d s HIS 158 Cb 0.19 -4.58 -0.10 0.00 -0.13 0.00 0.00 32.58 27.95 1s4d s HIS 158 CO 0.59 -1.90 1.39 -0.51 -2.47 0.00 0.00 174.74 171.84 1s4d s ASP 159 N 3.49 6.38 -0.03 9.88 1.01 -1.26 -5.15 116.67 131.00 1s4d s ASP 159 Ca 0.38 2.85 -0.36 0.00 0.71 0.00 0.00 52.55 56.14 1s4d s ASP 159 Cb -0.08 -2.65 -0.14 0.00 1.01 0.00 0.00 42.92 41.06 1s4d s ASP 159 CO 0.19 -0.82 1.67 -1.14 0.21 0.00 0.00 175.17 175.28 1s4d n ARG 167 N 0.38 1.78 -3.67 8.23 3.00 -1.26 -5.25 116.66 119.87 1s4d n ARG 167 Ca 0.02 0.65 -0.13 0.00 -0.00 0.00 0.00 57.85 58.39 1s4d n ARG 167 Cb 0.41 -2.40 -0.13 0.00 0.00 0.00 0.00 32.46 30.34 1s4d n ARG 167 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1s4d s ILE 168 N 2.44 -0.38 -0.97 5.15 1.01 -1.26 -5.08 121.20 122.11 1s4d s ILE 168 Ca 0.88 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.55 1s4d s ILE 168 Cb -0.81 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.20 1s4d s ILE 168 CO 0.50 0.10 1.69 0.21 0.00 0.00 0.00 174.94 177.44 1s4d s ASN 169 N 2.27 5.85 0.20 3.58 2.47 -1.26 -4.80 114.94 123.26 1s4d s ASN 169 Ca -0.01 -1.09 -0.09 0.00 0.42 0.00 0.00 52.86 52.09 1s4d s ASN 169 Cb -0.12 -2.57 0.13 0.00 -1.45 0.00 0.00 41.25 37.25 1s4d s ASN 169 CO -0.09 -2.10 1.76 -0.50 -3.72 0.00 0.00 177.10 172.45 1s4d h TRP 170 N 10.48 1.11 -0.70 0.43 4.06 -1.98 -1.54 115.95 127.82 1s4d h TRP 170 Ca 0.15 -0.09 0.03 0.00 2.06 0.00 0.00 58.89 61.04 1s4d h TRP 170 Cb 1.01 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 28.79 1s4d h TRP 170 CO 1.25 0.86 0.44 0.37 -3.56 0.00 0.00 178.44 177.80 1s4d h GLN 171 N 1.05 0.84 -0.65 0.49 5.75 -1.90 0.16 115.11 120.84 1s4d h GLN 171 Ca 0.24 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 1s4d h GLN 171 Cb 0.22 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1s4d h GLN 171 CO -0.02 0.56 0.32 0.78 -2.65 0.00 0.00 178.83 177.81 1s4d h GLY 172 N 0.86 1.00 1.03 2.39 0.00 -1.75 -1.80 103.07 104.81 1s4d h GLY 172 Ca 0.28 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1s4d h GLY 172 CO -0.10 0.47 0.21 -2.22 0.00 0.00 0.00 176.54 174.90 1s4d h ILE 173 N 0.90 1.25 0.36 2.60 2.04 -0.76 -3.32 117.51 120.57 1s4d h ILE 173 Ca 0.22 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1s4d h ILE 173 Cb 0.11 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1s4d h ILE 173 CO -0.03 0.33 -0.17 0.00 0.00 0.00 0.00 178.15 178.28 1s4d h ALA 174 N 1.09 -0.48 -2.43 1.87 0.00 -0.09 -2.58 119.26 116.64 1s4d h ALA 174 Ca 0.22 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.49 1s4d h ALA 174 Cb 0.29 0.19 0.12 0.00 0.00 0.00 0.00 17.79 18.38 1s4d h ALA 174 CO -0.01 -0.69 0.33 -1.12 0.00 0.00 0.00 179.25 177.77 1s4d s SER 175 N -4.90 4.25 0.00 0.00 0.01 -0.73 -4.26 113.70 108.08 1s4d s SER 175 Ca -0.15 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1s4d s SER 175 Cb 0.03 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1s4d s SER 175 CO 0.59 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.74 1s4d n GLY 176 N -2.15 1.56 2.89 3.44 0.00 -1.26 -4.71 105.19 104.97 1s4d n GLY 176 Ca 0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.23 0.22 1.61 0.01 -0.97 -4.80 113.70 114.00 1s4d s SER 177 Ca 0.00 -3.10 0.20 0.00 1.31 0.00 0.00 55.95 54.36 1s4d s SER 177 Cb 0.00 -1.51 0.91 0.00 0.21 0.00 0.00 66.02 65.63 1s4d s SER 177 CO 0.00 -0.21 1.61 -2.65 0.41 0.00 0.00 173.24 172.40 1s4d n PRO 178 N 2.97 0.14 -4.55 12.44 -0.02 -1.26 -4.22 135.00 140.50 1s4d n PRO 178 Ca 0.09 0.47 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 1s4d n PRO 178 Cb 0.33 -1.82 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 1s4d n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s4d s VAL 179 N -3.32 1.22 -0.10 -1.45 1.01 -1.25 -4.34 120.40 112.17 1s4d s VAL 179 Ca 0.02 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1s4d s VAL 179 Cb 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1s4d s VAL 179 CO 0.29 0.38 -0.22 -0.63 0.00 0.00 0.00 175.10 174.91 1s4d s ILE 180 N 0.76 1.94 -0.12 2.22 1.01 -0.46 -1.37 121.20 125.18 1s4d s ILE 180 Ca -0.12 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.61 1s4d s ILE 180 Cb -0.16 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1s4d s ILE 180 CO 0.03 0.53 -0.22 -0.69 0.00 0.00 0.00 174.94 174.59 1s4d s VAL 181 N 0.41 2.17 -0.12 2.92 1.01 0.23 -0.26 120.40 126.76 1s4d s VAL 181 Ca -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1s4d s VAL 181 Cb -0.18 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1s4d s VAL 181 CO 0.08 0.55 -0.11 -0.04 0.00 0.00 0.00 175.10 175.58 1s4d s MET 182 N 0.51 1.87 -0.00 2.72 -1.94 0.11 -0.76 119.30 121.81 1s4d s MET 182 Ca -0.14 -0.39 -0.09 0.00 -1.71 0.00 0.00 55.69 53.36 1s4d s MET 182 Cb -0.17 -1.79 -0.05 0.00 2.01 0.00 0.00 34.83 34.83 1s4d s MET 182 CO 0.05 -0.23 0.29 0.71 -0.01 0.00 0.00 175.02 175.84 1s4d s TYR 183 N 1.52 3.61 -1.37 -0.03 1.51 -0.05 -1.78 117.35 120.76 1s4d s TYR 183 Ca 0.03 0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 56.71 1s4d s TYR 183 Cb -0.13 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1s4d s TYR 183 CO -0.08 0.62 0.91 -1.33 -1.11 0.00 0.00 175.55 174.56 1s4d n MET 184 N 1.34 -5.81 -0.04 -0.62 2.81 -1.26 0.23 117.12 113.77 1s4d n MET 184 Ca -0.13 0.67 0.02 0.00 -1.81 0.00 0.00 57.70 56.46 1s4d n MET 184 Cb 0.53 -5.48 0.04 0.00 -0.71 0.00 0.00 33.22 27.60 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 -4.50 2.15 0.12 3.04 0.00 -1.26 -2.17 120.51 117.88 1s4d n ALA 185 Ca -0.14 -0.94 -0.20 0.00 0.00 0.00 0.00 53.44 52.16 1s4d n ALA 185 Cb 0.61 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 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 0.65 0.40 0.00 0.00 2.86 -1.93 -1.60 114.93 115.30 1s4d h MET 186 Ca 0.00 -0.68 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 1s4d h MET 186 Cb 0.48 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1s4d h MET 186 CO 0.00 1.32 0.00 0.87 1.06 0.00 0.00 176.91 180.16 1s4d h LYS 187 N 0.11 0.00 0.00 1.72 1.79 -1.96 -3.17 116.57 115.06 1s4d h LYS 187 Ca -0.21 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1s4d h LYS 187 Cb 2.07 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.69 1s4d h LYS 187 CO 0.23 0.00 -0.29 0.72 -1.08 0.00 0.00 179.45 179.04 1s4d n HIS 188 N -2.72 0.00 -0.28 -1.35 8.25 -1.20 -4.84 115.22 113.08 1s4d n HIS 188 Ca 0.01 -0.85 0.06 0.00 -0.26 0.00 0.00 57.72 56.68 1s4d n HIS 188 Cb 0.26 -0.15 0.29 0.00 1.12 0.00 0.00 29.99 31.50 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 2.21 0.99 -0.33 1.59 6.09 -1.26 0.21 117.51 127.02 1s4d h ILE 189 Ca -0.02 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 63.14 1s4d h ILE 189 Cb 1.16 0.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 1s4d h ILE 189 CO 0.01 0.17 0.11 1.23 -3.07 0.00 0.00 178.15 176.60 1s4d h GLY 190 N 0.91 0.54 1.14 8.18 0.00 -1.87 -1.02 103.07 110.94 1s4d h GLY 190 Ca 0.40 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 1s4d h GLY 190 CO -0.17 0.29 -0.28 0.00 0.00 0.00 0.00 176.54 176.38 1s4d h ALA 191 N 0.95 0.66 0.00 3.60 0.00 -1.78 -2.57 119.26 120.13 1s4d h ALA 191 Ca 0.11 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s4d h ALA 191 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s4d h ALA 191 CO -0.01 0.68 -0.00 0.82 0.00 0.00 0.00 179.25 180.74 1s4d h ILE 192 N 0.82 1.08 -0.06 0.00 2.04 -0.87 -1.55 117.51 118.96 1s4d h ILE 192 Ca 0.09 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1s4d h ILE 192 Cb 0.86 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1s4d h ILE 192 CO 0.08 0.06 0.03 0.71 0.00 0.00 0.00 178.15 179.03 1s4d h THR 193 N -0.11 1.12 -0.92 -0.27 1.35 -1.21 -1.93 112.91 110.94 1s4d h THR 193 Ca -0.00 -0.37 0.20 0.00 -0.55 0.00 0.00 66.41 65.70 1s4d h THR 193 Cb 0.11 1.25 -0.12 0.00 -1.73 0.00 0.00 68.15 67.66 1s4d h THR 193 CO 0.00 0.10 0.47 0.00 -0.25 0.00 0.00 175.52 175.85 1s4d h ALA 194 N 0.89 1.50 -0.63 6.62 0.00 -1.46 0.14 119.26 126.32 1s4d h ALA 194 Ca 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1s4d h ALA 194 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1s4d h ALA 194 CO -0.00 -0.23 0.24 -0.97 0.00 0.00 0.00 179.25 178.28 1s4d h ASN 195 N 0.53 0.85 -0.03 0.00 -1.24 -0.77 -1.03 115.58 113.90 1s4d h ASN 195 Ca 0.56 -0.12 -0.03 0.00 0.71 0.00 0.00 56.30 57.41 1s4d h ASN 195 Cb 0.98 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.81 1s4d h ASN 195 CO -0.46 0.77 -0.10 -0.07 -1.29 0.00 0.00 177.43 176.28 1s4d h LEU 196 N 0.91 0.14 -0.57 0.34 3.38 -0.20 -2.59 115.31 116.71 1s4d h LEU 196 Ca 0.21 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1s4d h LEU 196 Cb 0.20 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1s4d h LEU 196 CO -0.02 0.75 0.20 0.40 0.09 0.00 0.00 178.44 179.87 1s4d h ILE 197 N -0.46 0.78 0.00 1.22 2.04 -0.75 -0.35 117.51 119.98 1s4d h ILE 197 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s4d h ILE 197 Cb 0.74 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1s4d h ILE 197 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.24 1s4d n ALA 198 N -2.47 1.85 1.31 1.87 0.00 -0.40 -1.39 120.51 121.29 1s4d n ALA 198 Ca 0.08 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1s4d n ALA 198 Cb 0.25 -1.40 0.47 0.00 0.00 0.00 0.00 19.45 18.78 1s4d n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 199 N 0.40 -0.73 0.00 0.00 0.00 -0.22 -4.90 105.19 99.74 1s4d n GLY 199 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.31 1.09 3.77 -0.02 0.00 -0.48 -4.68 105.19 106.17 1s4d n GLY 200 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1s4d n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4d s ARG 201 N -0.15 3.92 0.12 1.61 1.81 -0.76 -4.96 118.95 120.54 1s4d s ARG 201 Ca 0.00 1.86 -0.30 0.00 -1.72 0.00 0.00 55.73 55.56 1s4d s ARG 201 Cb 0.00 -2.58 -0.07 0.00 -0.45 0.00 0.00 34.95 31.85 1s4d s ARG 201 CO 0.00 -0.44 1.17 0.45 -0.68 0.00 0.00 175.30 175.80 1s4d s SER 202 N -1.17 7.13 0.53 0.23 0.15 -1.26 -4.13 113.70 115.17 1s4d s SER 202 Ca 0.60 2.09 0.37 0.00 0.70 0.00 0.00 55.95 59.70 1s4d s SER 202 Cb -0.31 -2.59 1.53 0.00 -1.71 0.00 0.00 66.02 62.94 1s4d s SER 202 CO 0.38 -0.38 1.77 -0.65 1.20 0.00 0.00 173.24 175.56 1s4d h PRO 203 N 5.98 0.04 -0.07 5.44 0.11 -1.93 -1.19 132.00 140.38 1s4d h PRO 203 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1s4d h PRO 203 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s4d h PRO 203 CO 0.77 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 1s4d n ASP 204 N -4.21 2.08 -4.71 -2.05 8.00 -1.26 -1.63 116.55 112.77 1s4d n ASP 204 Ca 0.28 -1.70 -0.43 0.00 0.71 0.00 0.00 54.79 53.65 1s4d n ASP 204 Cb 1.31 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.36 1s4d n ASP 204 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1s4d n GLU 205 N 0.62 2.36 -1.88 -1.24 2.13 -0.45 -4.72 120.64 117.46 1s4d n GLU 205 Ca 0.17 0.84 -0.40 0.00 0.66 0.00 0.00 57.16 58.43 1s4d n GLU 205 Cb 0.44 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1s4d n GLU 205 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1s4d s PRO 206 N -0.65 3.93 0.03 5.31 0.02 -1.26 -1.53 135.00 140.84 1s4d s PRO 206 Ca 0.65 2.39 0.01 0.00 0.02 0.00 0.00 61.00 64.07 1s4d s PRO 206 Cb -0.57 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 1s4d s PRO 206 CO 0.51 -0.61 -0.05 0.14 -0.33 0.00 0.00 177.00 176.65 1s4d s VAL 207 N -1.18 0.36 -0.02 3.83 -7.23 -0.47 -2.16 120.40 113.52 1s4d s VAL 207 Ca 0.57 -0.80 0.07 0.00 -1.81 0.00 0.00 61.98 60.00 1s4d s VAL 207 Cb -0.43 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 1s4d s VAL 207 CO 0.56 -0.30 -0.23 0.00 -0.31 0.00 0.00 175.10 174.83 1s4d s ALA 208 N -1.08 1.90 -0.22 1.32 0.00 -0.25 -0.60 121.76 122.83 1s4d s ALA 208 Ca -0.09 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1s4d s ALA 208 Cb -0.08 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1s4d s ALA 208 CO -0.00 0.45 0.04 -0.06 0.00 0.00 0.00 175.76 176.19 1s4d s PHE 209 N -0.45 3.09 -0.35 0.00 0.08 -0.42 -0.84 117.98 119.10 1s4d s PHE 209 Ca 0.06 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.78 1s4d s PHE 209 Cb -0.10 -2.16 0.10 0.00 -0.57 0.00 0.00 43.02 40.29 1s4d s PHE 209 CO -0.00 -0.24 0.06 0.08 -0.10 0.00 0.00 175.22 175.03 1s4d s VAL 210 N 1.20 2.48 0.08 -0.44 1.01 -0.10 -0.76 120.40 123.88 1s4d s VAL 210 Ca 0.04 -2.21 -0.20 0.00 0.00 0.00 0.00 61.98 59.61 1s4d s VAL 210 Cb -0.14 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 1s4d s VAL 210 CO 0.03 -0.56 0.59 0.00 0.00 0.00 0.00 175.10 175.16 1s4d n ASN 212 N 1.78 -0.07 -4.53 0.00 4.13 -0.38 -1.50 115.26 114.69 1s4d n ASN 212 Ca -0.10 -1.08 -0.43 0.00 1.68 0.00 0.00 54.58 54.65 1s4d n ASN 212 Cb 0.51 -2.67 -0.00 0.00 -1.54 0.00 0.00 39.78 36.07 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 -0.83 -3.30 5.41 0.00 -1.26 -2.88 120.51 113.20 1s4d n ALA 213 Ca -0.31 0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1s4d n ALA 213 Cb 0.69 -1.91 0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.30 -1.11 -2.13 0.00 0.00 -1.26 -4.51 120.51 111.20 1s4d n ALA 214 Ca 0.11 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.76 1s4d n ALA 214 Cb 0.35 -4.34 -0.10 0.00 0.00 0.00 0.00 19.45 15.36 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 -3.21 0.36 0.45 0.00 -4.23 -1.14 -1.21 115.64 106.65 1s4d s THR 215 Ca 0.43 -1.86 0.27 0.00 -1.18 0.00 0.00 61.69 59.34 1s4d s THR 215 Cb -0.20 -1.66 0.29 0.00 1.34 0.00 0.00 72.50 72.28 1s4d s THR 215 CO 0.53 -0.88 2.10 -0.65 -0.54 0.00 0.00 174.62 175.18 1s4d h PRO 216 N 3.04 0.00 -0.24 3.99 0.11 -1.95 -0.35 132.00 136.61 1s4d h PRO 216 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1s4d h PRO 216 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s4d h PRO 216 CO 0.65 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.54 1s4d n GLN 217 N -3.74 1.59 -1.52 1.05 0.00 -1.26 -4.96 117.38 108.53 1s4d n GLN 217 Ca -0.02 -0.91 -0.48 0.00 0.00 0.00 0.00 57.00 55.59 1s4d n GLN 217 Cb 0.21 -1.22 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 1s4d n GLN 217 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1s4d n GLN 218 N 0.23 0.77 -3.96 2.61 7.27 -0.14 -4.82 117.38 119.34 1s4d n GLN 218 Ca 0.09 0.27 -0.14 0.00 0.07 0.00 0.00 57.00 57.30 1s4d n GLN 218 Cb 0.22 -1.60 -0.14 0.00 2.41 0.00 0.00 30.24 31.13 1s4d n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 219 N -0.63 0.15 -0.04 1.69 0.00 -0.56 -4.99 121.76 117.37 1s4d s ALA 219 Ca 0.69 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1s4d s ALA 219 Cb -0.88 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1s4d s ALA 219 CO 0.56 0.02 -0.13 0.08 0.00 0.00 0.00 175.76 176.29 1s4d s VAL 220 N 0.06 1.12 -0.19 0.00 1.01 -1.26 -0.53 120.40 120.61 1s4d s VAL 220 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1s4d s VAL 220 Cb -0.02 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.41 1s4d s VAL 220 CO -0.00 0.34 -0.12 -0.22 0.00 0.00 0.00 175.10 175.10 1s4d s LEU 221 N 0.30 2.27 -0.41 3.92 0.20 0.06 -4.97 118.68 120.05 1s4d s LEU 221 Ca -0.07 -0.85 -0.20 0.00 0.69 0.00 0.00 54.13 53.69 1s4d s LEU 221 Cb -0.12 -1.27 0.02 0.00 -0.43 0.00 0.00 46.19 44.39 1s4d s LEU 221 CO 0.02 -0.13 0.62 -1.61 -0.29 0.00 0.00 176.35 174.96 1s4d s GLU 222 N 1.38 3.39 0.00 1.98 2.02 -1.26 -1.30 118.70 124.91 1s4d s GLU 222 Ca -0.00 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1s4d s GLU 222 Cb -0.16 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1s4d s GLU 222 CO -0.09 -0.90 0.00 2.41 0.02 0.00 0.00 175.26 176.70 1s4d n THR 223 N 5.73 0.00 -3.73 3.63 -1.04 0.23 -5.00 114.28 114.11 1s4d n THR 223 Ca -0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.88 1s4d n THR 223 Cb 0.48 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.92 1s4d n THR 223 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1s4d s THR 224 N 1.90 0.08 0.26 12.58 -1.32 -1.26 -1.36 115.64 126.52 1s4d s THR 224 Ca 0.00 -0.68 -0.03 0.00 -1.21 0.00 0.00 61.69 59.77 1s4d s THR 224 Cb 0.00 -1.03 0.25 0.00 -1.51 0.00 0.00 72.50 70.21 1s4d s THR 224 CO 0.00 -0.38 1.85 -0.07 -2.21 0.00 0.00 174.62 173.81 1s4d h LEU 225 N 2.98 0.88 0.13 9.08 3.38 -1.20 -1.06 115.31 129.50 1s4d h LEU 225 Ca -0.32 0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.39 1s4d h LEU 225 Cb 1.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1s4d h LEU 225 CO 0.47 0.53 -1.34 0.00 0.09 0.00 0.00 178.44 178.19 1s4d h ALA 226 N 1.46 0.15 0.00 1.53 0.00 -1.62 -3.31 119.26 117.47 1s4d h ALA 226 Ca 0.43 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1s4d h ALA 226 Cb 0.29 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s4d h ALA 226 CO -0.21 1.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.91 1s4d h ARG 227 N 0.07 0.00 -0.56 0.00 3.08 -1.78 -3.42 114.38 111.77 1s4d h ARG 227 Ca -0.17 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.93 1s4d h ARG 227 Cb 1.99 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.97 1s4d h ARG 227 CO 0.19 0.00 -0.38 0.00 -1.07 0.00 0.00 179.97 178.71 1s4d h ALA 228 N 2.03 -0.41 -0.69 0.04 0.00 -1.28 0.23 119.26 119.17 1s4d h ALA 228 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1s4d h ALA 228 Cb 0.99 1.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.88 1s4d h ALA 228 CO 0.00 -0.66 0.26 1.49 0.00 0.00 0.00 179.25 180.34 1s4d h GLU 229 N -0.06 0.41 -0.42 0.00 4.22 -1.84 0.64 114.58 117.54 1s4d h GLU 229 Ca 0.09 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.39 1s4d h GLU 229 Cb 0.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1s4d h GLU 229 CO -0.56 0.27 -0.20 0.00 -2.18 0.00 0.00 179.01 176.34 1s4d h ALA 230 N 1.49 0.59 -0.25 2.92 0.00 -1.52 -2.79 119.26 119.70 1s4d h ALA 230 Ca 0.36 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1s4d h ALA 230 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s4d h ALA 230 CO -0.36 0.56 -0.12 -0.44 0.00 0.00 0.00 179.25 178.89 1s4d h ASP 231 N 0.70 0.54 -0.69 0.00 5.19 -0.18 -2.01 116.42 119.97 1s4d h ASP 231 Ca 0.09 -0.40 0.08 0.00 -0.62 0.00 0.00 57.03 56.18 1s4d h ASP 231 Cb 0.77 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.06 1s4d h ASP 231 CO 0.06 0.83 0.36 0.58 -3.12 0.00 0.00 179.24 177.94 1s4d h VAL 232 N 0.26 0.89 -0.18 -1.35 2.07 -0.96 0.11 116.25 117.09 1s4d h VAL 232 Ca 0.06 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1s4d h VAL 232 Cb 0.62 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1s4d h VAL 232 CO 0.04 0.11 -0.45 0.00 0.02 0.00 0.00 177.57 177.29 1s4d h ALA 233 N 1.40 0.89 0.00 1.67 0.00 -1.33 -2.27 119.26 119.62 1s4d h ALA 233 Ca 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s4d h ALA 233 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s4d h ALA 233 CO -0.24 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1s4d h ALA 234 N 1.16 1.00 0.00 0.00 0.00 -0.84 -2.95 119.26 117.63 1s4d h ALA 234 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s4d h ALA 234 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1s4d h ALA 234 CO 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 179.25 178.86 1s4d n ALA 235 N -2.07 2.81 -0.86 0.00 0.00 0.32 -4.93 120.51 115.78 1s4d n ALA 235 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1s4d n ALA 235 Cb 0.44 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.34 0.51 3.73 0.00 0.00 -0.89 -4.95 105.19 104.93 1s4d n GLY 236 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1s4d n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s4d n LEU 237 N 0.00 5.10 -4.14 0.99 4.32 -1.12 -5.02 117.00 117.12 1s4d n LEU 237 Ca 0.00 1.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.85 1s4d n LEU 237 Cb 0.06 -1.55 -0.11 0.00 -1.62 0.00 0.00 43.42 40.20 1s4d n LEU 237 CO 0.00 -0.66 -0.42 -1.61 -1.22 0.00 0.00 177.39 173.49 1s4d s GLU 238 N -2.72 0.75 0.71 3.23 0.41 -1.26 -4.91 118.70 114.90 1s4d s GLU 238 Ca 0.69 -1.02 -0.16 0.00 -0.41 0.00 0.00 54.97 54.06 1s4d s GLU 238 Cb -0.43 -0.47 -0.04 0.00 -1.78 0.00 0.00 34.13 31.41 1s4d s GLU 238 CO 0.51 0.08 0.58 -2.30 -0.49 0.00 0.00 175.26 173.64 1s4d n PRO 239 N 0.88 0.34 -2.93 0.39 -0.02 -1.26 -4.36 135.00 128.04 1s4d n PRO 239 Ca -0.18 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 1s4d n PRO 239 Cb 0.57 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.77 4.56 0.10 0.52 0.04 -1.26 -4.95 135.00 131.25 1s4d s PRO 240 Ca 0.67 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.91 1s4d s PRO 240 Cb -0.36 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1s4d s PRO 240 CO 0.57 0.35 -0.10 0.00 0.04 0.00 0.00 177.00 177.86 1s4d s ALA 241 N -0.34 1.13 -0.14 8.56 0.00 -1.26 -1.25 121.76 128.46 1s4d s ALA 241 Ca 0.39 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1s4d s ALA 241 Cb -0.22 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1s4d s ALA 241 CO 0.25 -0.07 -0.12 0.42 0.00 0.00 0.00 175.76 176.24 1s4d s ILE 242 N -2.69 3.04 -0.23 0.00 -1.09 0.18 -4.39 121.20 116.02 1s4d s ILE 242 Ca 0.07 -0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 57.72 1s4d s ILE 242 Cb -0.01 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.53 1s4d s ILE 242 CO -0.01 0.51 0.22 -0.69 -1.23 0.00 0.00 174.94 173.75 1s4d s VAL 243 N 0.53 5.32 -0.06 2.92 1.01 -0.73 -0.92 120.40 128.47 1s4d s VAL 243 Ca -0.08 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1s4d s VAL 243 Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1s4d s VAL 243 CO 0.04 0.33 -0.21 0.54 0.00 0.00 0.00 175.10 175.80 1s4d s VAL 244 N 1.05 2.43 -0.10 2.92 0.11 -0.02 0.05 120.40 126.84 1s4d s VAL 244 Ca 0.11 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 1s4d s VAL 244 Cb -0.14 -1.92 -0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1s4d s VAL 244 CO 0.05 0.57 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.53 1s4d s VAL 245 N -0.29 2.72 0.00 2.04 1.01 0.64 -1.09 120.40 125.42 1s4d s VAL 245 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1s4d s VAL 245 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1s4d s VAL 245 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1s4d n GLY 246 N 3.30 3.19 0.31 4.51 0.00 -0.92 -1.36 105.19 114.23 1s4d n GLY 246 Ca -0.18 -1.83 0.20 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 1.61 4.39 -1.85 -1.81 114.58 116.92 1s4d h GLU 247 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s4d h GLU 247 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s4d h GLU 247 CO 0.00 0.00 0.00 -0.39 -1.16 0.00 0.00 179.01 177.46 1s4d h VAL 248 N 0.00 0.00 -0.33 3.13 -1.51 -1.90 -1.43 116.25 114.21 1s4d h VAL 248 Ca 0.00 -0.08 -0.13 0.00 -1.23 0.00 0.00 66.70 65.26 1s4d h VAL 248 Cb 0.11 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1s4d h VAL 248 CO 0.00 0.00 -0.33 0.58 -1.23 0.00 0.00 177.57 176.59 1s4d h VAL 249 N 0.00 1.28 -0.67 7.19 2.07 -1.67 -2.65 116.25 121.80 1s4d h VAL 249 Ca 0.00 -1.48 0.19 0.00 0.82 0.00 0.00 66.70 66.24 1s4d h VAL 249 Cb 0.11 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1s4d h VAL 249 CO 0.00 0.48 0.60 0.03 0.02 0.00 0.00 177.57 178.70 1s4d h ARG 250 N 0.61 0.00 0.00 1.57 3.08 -1.48 -1.30 114.38 116.86 1s4d h ARG 250 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1s4d h ARG 250 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1s4d h ARG 250 CO 0.07 0.00 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.75 1s4d h LEU 251 N 0.00 0.00 -0.58 3.04 3.38 -1.62 -3.28 115.31 116.25 1s4d h LEU 251 Ca 0.32 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.40 1s4d h LEU 251 Cb 1.52 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.16 1s4d h LEU 251 CO -0.00 0.15 -0.15 -0.09 0.09 0.00 0.00 178.44 178.44 1s4d h ARG 252 N 0.00 -0.01 -0.92 1.13 2.43 -1.27 0.24 114.38 115.98 1s4d h ARG 252 Ca -0.00 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.42 1s4d h ARG 252 Cb 0.64 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 1s4d h ARG 252 CO 0.02 -0.00 0.64 0.00 -1.51 0.00 0.00 179.97 179.12 1s4d h ALA 253 N 1.56 2.64 0.01 2.80 0.00 -1.78 -0.60 119.26 123.89 1s4d h ALA 253 Ca 0.28 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.86 1s4d h ALA 253 Cb 0.43 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1s4d h ALA 253 CO -0.60 -0.92 -1.94 0.00 0.00 0.00 0.00 179.25 175.79 1s4d n ALA 254 N -2.64 1.46 -0.37 0.00 0.00 0.58 -3.63 120.51 115.91 1s4d n ALA 254 Ca 0.20 -0.93 0.06 0.00 0.00 0.00 0.00 53.44 52.76 1s4d n ALA 254 Cb 0.90 -0.63 0.17 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.99 3.12 -4.56 0.00 4.77 0.24 -4.61 117.00 112.97 1s4d n LEU 255 Ca -0.23 -2.25 -0.29 0.00 -0.03 0.00 0.00 56.01 53.21 1s4d n LEU 255 Cb 1.08 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.82 1s4d n LEU 255 CO 0.44 0.71 1.39 -0.62 -1.33 0.00 0.00 177.39 177.98 1s4d s ASP 256 N -1.24 5.30 0.11 -1.43 3.68 -0.31 -4.24 116.67 118.55 1s4d s ASP 256 Ca 0.27 -0.93 0.16 0.00 2.13 0.00 0.00 52.55 54.19 1s4d s ASP 256 Cb 0.17 -2.57 -0.09 0.00 -1.45 0.00 0.00 42.92 38.98 1s4d s ASP 256 CO 0.13 -2.63 0.96 4.11 0.13 0.00 0.00 175.17 177.87 1s4d h TRP 257 N 10.85 0.00 -0.29 -5.34 5.08 -1.88 -3.08 115.95 121.30 1s4d h TRP 257 Ca 0.13 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.95 1s4d h TRP 257 Cb 0.99 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1s4d h TRP 257 CO 1.23 0.55 -0.43 0.82 -1.28 0.00 0.00 178.44 179.33 1s4d h ILE 258 N 0.00 1.29 0.32 0.12 1.08 -1.84 -2.67 117.51 115.81 1s4d h ILE 258 Ca -0.12 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 62.72 1s4d h ILE 258 Cb 1.53 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.79 1s4d h ILE 258 CO 0.05 0.52 -0.48 1.23 -0.69 0.00 0.00 178.15 178.79 1s4d h GLY 259 N 0.93 -1.21 -7.69 5.37 0.00 -1.88 -3.01 103.07 95.59 1s4d h GLY 259 Ca 0.04 0.60 -0.77 0.00 0.00 0.00 0.00 47.33 47.20 1s4d h GLY 259 CO 0.09 -0.33 0.44 0.00 0.00 0.00 0.00 176.54 176.74 1s4d s ALA 260 N -5.61 4.08 -1.20 3.60 0.00 -1.16 0.10 121.76 121.57 1s4d s ALA 260 Ca -0.16 -3.34 -0.10 0.00 0.00 0.00 0.00 51.96 48.37 1s4d s ALA 260 Cb 0.05 -3.69 0.21 0.00 0.00 0.00 0.00 23.12 19.68 1s4d s ALA 260 CO 0.55 -2.45 1.55 1.47 0.00 0.00 0.00 175.76 176.89 1s4d n LEU 261 N 4.35 5.96 0.00 0.00 -0.00 -1.01 -4.68 117.00 121.62 1s4d n LEU 261 Ca 0.20 -4.73 0.00 0.00 -0.00 0.00 0.00 56.01 51.49 1s4d n LEU 261 Cb 0.45 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1s4d n LEU 261 CO 0.42 1.20 0.00 0.47 -0.00 0.00 0.00 177.39 179.48 1s4d n ASP 262 N 3.92 3.31 -2.01 1.45 8.00 0.12 -5.04 116.55 126.29 1s4d n ASP 262 Ca 0.34 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 1s4d n ASP 262 Cb 0.38 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.63 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 4.07 3.31 0.44 0.00 -1.26 -4.93 105.19 106.82 1s4d n GLY 263 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.71 3.06 -0.01 1.61 3.52 -1.26 -5.05 118.95 118.11 1s4d s ARG 264 Ca 0.47 -0.86 -0.22 0.00 -0.13 0.00 0.00 55.73 54.98 1s4d s ARG 264 Cb 0.39 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 1s4d s ARG 264 CO 0.09 -0.41 0.67 -1.59 -0.81 0.00 0.00 175.30 173.25 1s4d s LYS 265 N 1.45 4.40 -0.14 5.12 0.00 -1.26 -4.30 119.74 125.02 1s4d s LYS 265 Ca 0.02 0.85 -0.15 0.00 0.00 0.00 0.00 55.97 56.69 1s4d s LYS 265 Cb -0.17 -3.38 -0.05 0.00 0.00 0.00 0.00 37.83 34.24 1s4d s LYS 265 CO 0.00 0.25 0.36 -0.51 0.00 0.00 0.00 175.35 175.45 1s4d s LEU 266 N 0.15 4.27 -0.37 2.77 1.02 -1.26 -4.97 118.68 120.29 1s4d s LEU 266 Ca 0.35 0.63 -0.09 0.00 0.02 0.00 0.00 54.13 55.03 1s4d s LEU 266 Cb -0.19 -2.49 0.04 0.00 0.02 0.00 0.00 46.19 43.58 1s4d s LEU 266 CO 0.19 0.08 0.18 0.00 0.02 0.00 0.00 176.35 176.82 1s4d s ALA 267 N 0.42 3.20 -2.00 4.21 0.00 -1.24 -4.98 121.76 121.38 1s4d s ALA 267 Ca 0.20 -1.77 0.22 0.00 0.00 0.00 0.00 51.96 50.61 1s4d s ALA 267 Cb -0.14 -2.50 1.33 0.00 0.00 0.00 0.00 23.12 21.81 1s4d s ALA 267 CO 0.06 -1.40 1.70 0.00 0.00 0.00 0.00 175.76 176.13