#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d s ILE 2 N 0.00 1.44 0.46 2.02 1.09 0.16 -4.89 121.20 121.48 3d5d s ILE 2 Ca 0.00 -0.57 0.03 0.00 -1.10 0.00 0.00 60.65 59.00 3d5d s ILE 2 Cb 0.00 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 40.03 3d5d s ILE 2 CO 0.00 0.43 0.05 0.00 -0.10 0.00 0.00 174.94 175.32 3d5d s GLN 3 N 1.29 2.07 0.73 2.79 -2.07 -1.26 -1.02 119.66 122.18 3d5d s GLN 3 Ca -0.01 -2.29 -0.16 0.00 -1.82 0.00 0.00 55.36 51.09 3d5d s GLN 3 Cb -0.14 -1.22 -0.00 0.00 -1.09 0.00 0.00 33.01 30.56 3d5d s GLN 3 CO -0.06 -0.37 0.84 -0.35 -1.32 0.00 0.00 175.29 174.03 3d5d n PRO 4 N -1.11 0.42 -1.07 9.60 -0.04 -1.26 -2.54 135.00 139.00 3d5d n PRO 4 Ca -0.13 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 3d5d n PRO 4 Cb 0.66 -2.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.01 3d5d n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3d5d n GLN 5 N -1.57 -0.80 -3.62 0.54 -0.06 0.11 -4.92 117.38 107.07 3d5d n GLN 5 Ca 0.12 0.38 -0.36 0.00 -2.00 0.00 0.00 57.00 55.13 3d5d n GLN 5 Cb 0.50 -4.09 -0.07 0.00 -4.06 0.00 0.00 30.24 22.52 3d5d n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3d5d s THR 6 N -1.78 5.32 -0.15 1.69 2.01 -1.05 -4.80 115.64 116.87 3d5d s THR 6 Ca 0.00 0.48 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 3d5d s THR 6 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 3d5d s THR 6 CO 0.00 0.46 0.73 -0.31 -0.69 0.00 0.00 174.62 174.80 3d5d s TYR 7 N 0.02 3.45 0.12 4.92 1.51 -1.26 0.21 117.35 126.32 3d5d s TYR 7 Ca 0.16 1.14 0.09 0.00 -1.01 0.00 0.00 57.07 57.45 3d5d s TYR 7 Cb -0.13 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 3d5d s TYR 7 CO 0.04 -0.13 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.68 3d5d s LEU 8 N 1.71 2.76 0.77 -1.29 2.01 0.38 -4.84 118.68 120.18 3d5d s LEU 8 Ca 0.35 -0.54 -0.08 0.00 0.01 0.00 0.00 54.13 53.86 3d5d s LEU 8 Cb -0.17 -1.58 0.10 0.00 0.01 0.00 0.00 46.19 44.55 3d5d s LEU 8 CO 0.13 0.17 1.10 -0.70 1.01 0.00 0.00 176.35 178.06 3d5d s GLU 9 N -2.21 1.74 -0.28 1.70 2.56 0.94 -1.85 118.70 121.30 3d5d s GLU 9 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 54.97 54.76 3d5d s GLU 9 Cb -0.10 -2.10 0.05 0.00 2.00 0.00 0.00 34.13 33.97 3d5d s GLU 9 CO 0.11 -1.57 -0.04 0.08 -0.56 0.00 0.00 175.26 173.28 3d5d s VAL 10 N -3.40 2.76 -1.16 3.70 1.01 -1.01 -2.19 120.40 120.11 3d5d s VAL 10 Ca 0.64 -1.40 0.28 0.00 0.00 0.00 0.00 61.98 61.50 3d5d s VAL 10 Cb -0.08 -2.57 0.26 0.00 0.00 0.00 0.00 36.38 33.98 3d5d s VAL 10 CO 0.47 -0.05 1.82 0.00 0.00 0.00 0.00 175.10 177.34 3d5d n ALA 11 N 4.58 2.68 -3.86 5.51 0.00 -1.05 -4.86 120.51 123.51 3d5d n ALA 11 Ca -0.14 -0.19 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 3d5d n ALA 11 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3d5d n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3d5d n ASP 12 N -1.38 2.61 -1.84 0.00 3.85 -1.26 -0.93 116.55 117.59 3d5d n ASP 12 Ca 0.09 -2.72 -0.11 0.00 -0.71 0.00 0.00 54.79 51.34 3d5d n ASP 12 Cb 0.32 -0.03 0.24 0.00 -1.35 0.00 0.00 41.12 40.29 3d5d n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3d5d n ASN 13 N -1.84 3.94 0.00 -1.12 0.23 -1.16 -4.55 115.26 110.75 3d5d n ASN 13 Ca -0.02 -3.45 0.03 0.00 -0.53 0.00 0.00 54.58 50.61 3d5d n ASN 13 Cb 0.57 -0.74 0.18 0.00 -2.08 0.00 0.00 39.78 37.71 3d5d n ASN 13 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3d5d n THR 14 N -0.72 0.22 0.00 5.53 -1.04 -1.26 -4.78 114.28 112.23 3d5d n THR 14 Ca 0.45 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 3d5d n THR 14 Cb 1.39 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3d5d n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d5d n GLY 15 N -0.64 2.87 3.72 3.41 0.00 -1.26 -2.90 105.19 110.39 3d5d n GLY 15 Ca 0.04 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3d5d n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5d n ALA 16 N 0.00 1.06 0.00 4.61 0.00 -1.26 -0.57 120.51 124.35 3d5d n ALA 16 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 3d5d n ALA 16 Cb 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.13 3d5d n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3d5d n ARG 17 N -1.91 0.08 -4.56 0.00 5.12 -0.42 -4.70 116.66 110.27 3d5d n ARG 17 Ca 0.16 0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.89 3d5d n ARG 17 Cb 0.48 -0.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.99 3d5d n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3d5d s LYS 18 N -2.09 1.13 -0.02 5.56 1.02 -1.15 -2.39 119.74 121.80 3d5d s LYS 18 Ca -0.05 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.52 3d5d s LYS 18 Cb 0.01 -1.06 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 3d5d s LYS 18 CO 0.07 0.22 -0.07 0.96 -0.92 0.00 0.00 175.35 175.61 3d5d s ILE 19 N -0.10 0.58 -0.15 2.17 -0.00 -0.77 -0.88 121.20 122.05 3d5d s ILE 19 Ca 0.01 -0.27 -0.16 0.00 -0.00 0.00 0.00 60.65 60.23 3d5d s ILE 19 Cb -0.07 -0.52 -0.04 0.00 -0.00 0.00 0.00 42.46 41.83 3d5d s ILE 19 CO 0.00 0.18 0.39 -0.32 -0.00 0.00 0.00 174.94 175.19 3d5d s MET 20 N 0.11 4.28 0.01 0.37 1.75 0.00 -0.47 119.30 125.35 3d5d s MET 20 Ca -0.01 0.26 -0.30 0.00 -1.25 0.00 0.00 55.69 54.39 3d5d s MET 20 Cb -0.06 -3.45 -0.08 0.00 2.84 0.00 0.00 34.83 34.08 3d5d s MET 20 CO -0.00 0.15 1.86 0.00 -0.65 0.00 0.00 175.02 176.38 3d5d h ILE 22 N 5.61 1.31 -1.63 0.00 1.08 -0.86 0.31 117.51 123.32 3d5d h ILE 22 Ca -0.46 -3.00 0.15 0.00 -0.39 0.00 0.00 64.86 61.16 3d5d h ILE 22 Cb 1.22 2.75 -0.21 0.00 -3.07 0.00 0.00 36.82 37.50 3d5d h ILE 22 CO 0.95 0.82 0.66 -0.60 -0.69 0.00 0.00 178.15 179.28 3d5d s ARG 23 N -2.65 0.50 -0.27 2.37 6.06 -0.32 -4.77 118.95 119.87 3d5d s ARG 23 Ca -0.05 -0.03 -0.10 0.00 -2.50 0.00 0.00 55.73 53.05 3d5d s ARG 23 Cb 0.08 0.23 -0.05 0.00 0.06 0.00 0.00 34.95 35.28 3d5d s ARG 23 CO 0.84 -0.19 0.16 0.54 -2.50 0.00 0.00 175.30 174.16 3d5d s VAL 24 N -1.85 5.11 -0.48 7.11 0.11 -1.26 -1.47 120.40 127.66 3d5d s VAL 24 Ca 0.04 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 3d5d s VAL 24 Cb -0.01 -3.42 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 3d5d s VAL 24 CO -0.04 0.27 0.96 -0.22 -3.33 0.00 0.00 175.10 172.74 3d5d s LEU 25 N 1.70 3.96 0.00 2.54 0.20 -0.98 -4.77 118.68 121.34 3d5d s LEU 25 Ca 0.07 0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.98 3d5d s LEU 25 Cb -0.16 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.42 3d5d s LEU 25 CO 0.09 -1.11 0.00 1.17 -0.29 0.00 0.00 176.35 176.22 3d5d n LYS 26 N 7.31 0.00 -0.55 1.98 4.81 -1.26 -4.53 118.16 125.92 3d5d n LYS 26 Ca 0.06 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.20 3d5d n LYS 26 Cb 0.48 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.76 3d5d n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3d5d n GLY 27 N 0.00 -2.32 0.35 3.14 0.00 -1.26 -4.86 105.19 100.25 3d5d n GLY 27 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 3d5d n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d5d h SER 28 N -2.48 -1.21 -2.37 1.61 4.64 -2.01 -3.18 113.55 108.55 3d5d h SER 28 Ca -0.59 0.26 -0.59 0.00 -0.47 0.00 0.00 61.79 60.39 3d5d h SER 28 Cb 1.35 0.64 -0.41 0.00 -0.31 0.00 0.00 62.40 63.67 3d5d h SER 28 CO 0.45 -0.29 -0.77 -0.46 -0.87 0.00 0.00 176.83 174.89 3d5d n ASN 29 N -5.46 2.14 -3.27 4.97 0.23 -1.26 -5.10 115.26 107.51 3d5d n ASN 29 Ca 0.07 -3.06 -0.27 0.00 -0.53 0.00 0.00 54.58 50.79 3d5d n ASN 29 Cb 0.38 -0.67 0.25 0.00 -2.08 0.00 0.00 39.78 37.67 3d5d n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d5d n ALA 30 N 1.50 -4.26 0.00 -2.53 0.00 -1.21 -5.01 120.51 109.01 3d5d n ALA 30 Ca 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3d5d n ALA 30 Cb 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3d5d n ALA 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3d5d n LYS 31 N -5.18 0.03 -4.23 0.00 4.81 -1.26 -5.07 118.16 107.26 3d5d n LYS 31 Ca 0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.41 3d5d n LYS 31 Cb 0.54 -0.51 -0.08 0.00 0.02 0.00 0.00 35.03 34.99 3d5d n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3d5d s TYR 32 N -1.02 1.46 -0.17 5.64 1.51 -1.26 -4.78 117.35 118.73 3d5d s TYR 32 Ca 0.00 -1.51 -0.09 0.00 -1.01 0.00 0.00 57.07 54.46 3d5d s TYR 32 Cb 0.00 -0.59 0.06 0.00 -0.11 0.00 0.00 41.96 41.31 3d5d s TYR 32 CO 0.00 -0.81 0.41 0.00 -1.11 0.00 0.00 175.55 174.04 3d5d s ALA 33 N -3.70 -1.03 0.43 3.71 0.00 -0.19 -4.90 121.76 116.07 3d5d s ALA 33 Ca 0.39 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.90 3d5d s ALA 33 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3d5d s ALA 33 CO 0.21 -0.26 0.04 -0.08 0.00 0.00 0.00 175.76 175.67 3d5d s THR 34 N 1.40 1.26 -0.04 0.00 -1.32 -1.26 0.39 115.64 116.07 3d5d s THR 34 Ca -0.10 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.08 3d5d s THR 34 Cb -0.08 -2.53 -0.15 0.00 -1.51 0.00 0.00 72.50 68.22 3d5d s THR 34 CO -0.13 0.00 0.85 0.52 -2.21 0.00 0.00 174.62 173.66 3d5d n VAL 35 N -1.01 0.00 0.00 5.08 0.31 -1.26 -1.57 118.33 119.88 3d5d n VAL 35 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3d5d n VAL 35 Cb 0.66 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 3d5d n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d5d n GLY 36 N 1.33 2.81 3.89 2.92 0.00 -1.09 -4.88 105.19 110.16 3d5d n GLY 36 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3d5d n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d5d s ASP 37 N -0.38 5.75 -0.04 1.61 1.01 -0.61 -4.74 116.67 119.27 3d5d s ASP 37 Ca 0.00 1.14 0.06 0.00 0.71 0.00 0.00 52.55 54.45 3d5d s ASP 37 Cb 0.00 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 3d5d s ASP 37 CO 0.00 -1.11 -0.20 0.68 0.21 0.00 0.00 175.17 174.75 3d5d s VAL 38 N -3.21 2.55 0.01 -1.27 -7.23 -1.26 -0.54 120.40 109.45 3d5d s VAL 38 Ca 0.56 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 3d5d s VAL 38 Cb -0.11 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 3d5d s VAL 38 CO 0.51 0.58 -0.05 0.27 -0.31 0.00 0.00 175.10 176.10 3d5d s ILE 39 N -0.65 0.37 0.09 -0.62 -4.36 0.15 -2.31 121.20 113.87 3d5d s ILE 39 Ca 0.10 -0.39 -0.31 0.00 -0.26 0.00 0.00 60.65 59.79 3d5d s ILE 39 Cb -0.10 -0.35 -0.06 0.00 1.25 0.00 0.00 42.46 43.19 3d5d s ILE 39 CO -0.00 -0.02 1.23 -0.69 0.24 0.00 0.00 174.94 175.70 3d5d s VAL 40 N -0.41 3.84 0.20 8.37 1.01 -0.54 -1.11 120.40 131.75 3d5d s VAL 40 Ca -0.01 1.35 -0.07 0.00 0.00 0.00 0.00 61.98 63.24 3d5d s VAL 40 Cb -0.04 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3d5d s VAL 40 CO -0.00 0.12 0.29 0.00 0.00 0.00 0.00 175.10 175.51 3d5d s ALA 41 N 0.89 0.35 -0.01 5.51 0.00 0.60 -0.17 121.76 128.94 3d5d s ALA 41 Ca 0.59 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 51.44 3d5d s ALA 41 Cb -0.31 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3d5d s ALA 41 CO 0.30 -0.69 -0.23 0.45 0.00 0.00 0.00 175.76 175.59 3d5d s SER 42 N -3.05 2.72 -0.28 0.00 0.15 -0.24 -0.83 113.70 112.17 3d5d s SER 42 Ca 0.26 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 3d5d s SER 42 Cb 0.03 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 3d5d s SER 42 CO 0.07 0.28 1.20 -0.69 1.20 0.00 0.00 173.24 175.30 3d5d s VAL 43 N -0.56 4.32 -1.70 4.45 1.01 -1.08 -0.82 120.40 126.02 3d5d s VAL 43 Ca 0.09 1.53 0.25 0.00 0.00 0.00 0.00 61.98 63.84 3d5d s VAL 43 Cb -0.09 -4.23 0.13 0.00 0.00 0.00 0.00 36.38 32.18 3d5d s VAL 43 CO -0.01 -0.41 1.37 0.29 0.00 0.00 0.00 175.10 176.34 3d5d n LYS 44 N 7.00 0.80 -3.64 2.72 4.76 -0.05 -0.48 118.16 129.27 3d5d n LYS 44 Ca 0.13 -0.55 -0.03 0.00 -2.87 0.00 0.00 58.31 55.00 3d5d n LYS 44 Cb 0.46 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 3d5d n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3d5d s GLU 45 N -2.58 0.11 0.03 1.97 -1.05 -1.06 -4.94 118.70 111.18 3d5d s GLU 45 Ca 0.20 0.02 -0.24 0.00 -0.15 0.00 0.00 54.97 54.80 3d5d s GLU 45 Cb 0.18 0.05 0.06 0.00 -0.44 0.00 0.00 34.13 33.98 3d5d s GLU 45 CO 0.58 -0.04 0.55 0.00 0.95 0.00 0.00 175.26 177.30 3d5d s ALA 46 N -1.11 -1.42 0.56 -0.84 0.00 -1.26 -1.30 121.76 116.39 3d5d s ALA 46 Ca 0.08 0.73 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 3d5d s ALA 46 Cb -0.01 0.33 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 3d5d s ALA 46 CO -0.07 -0.48 0.68 1.51 0.00 0.00 0.00 175.76 177.40 3d5d n ILE 47 N 0.50 2.67 -1.60 0.00 0.13 0.27 -4.85 119.36 116.48 3d5d n ILE 47 Ca -0.18 -0.50 -0.45 0.00 -1.10 0.00 0.00 62.75 60.51 3d5d n ILE 47 Cb 0.60 -0.83 -0.02 0.00 -0.84 0.00 0.00 39.64 38.55 3d5d n ILE 47 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 3d5d n PRO 48 N -0.29 1.39 -3.94 9.51 -0.02 -1.26 -2.46 135.00 137.93 3d5d n PRO 48 Ca 0.12 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 3d5d n PRO 48 Cb 0.47 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 3d5d n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3d5d n ARG 49 N 0.93 -0.84 -0.42 -0.52 1.85 -1.26 -4.92 116.66 111.48 3d5d n ARG 49 Ca 0.10 0.04 -0.06 0.00 -1.00 0.00 0.00 57.85 56.93 3d5d n ARG 49 Cb 0.31 -2.57 0.04 0.00 -1.05 0.00 0.00 32.46 29.19 3d5d n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3d5d n GLY 50 N -2.16 -1.15 0.22 2.89 0.00 -1.03 -4.96 105.19 98.99 3d5d n GLY 50 Ca -0.22 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.22 3d5d n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5d h ALA 51 N -1.91 0.94 -3.65 4.61 0.00 -1.86 -3.44 119.26 113.96 3d5d h ALA 51 Ca -0.09 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 3d5d h ALA 51 Cb 0.25 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 17.71 3d5d h ALA 51 CO 0.06 0.18 -0.73 0.08 0.00 0.00 0.00 179.25 178.85 3d5d s VAL 52 N -3.37 0.07 0.32 0.00 1.01 -1.14 -5.04 120.40 112.24 3d5d s VAL 52 Ca 0.04 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.14 3d5d s VAL 52 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 3d5d s VAL 52 CO 0.65 0.07 0.28 -0.54 0.00 0.00 0.00 175.10 175.56 3d5d s LYS 53 N 0.49 2.81 0.03 2.72 3.01 -1.26 -4.37 119.74 123.16 3d5d s LYS 53 Ca -0.04 -1.21 -0.35 0.00 -1.01 0.00 0.00 55.97 53.35 3d5d s LYS 53 Cb -0.07 -2.52 -0.14 0.00 -1.01 0.00 0.00 37.83 34.09 3d5d s LYS 53 CO -0.01 0.17 1.67 0.39 0.51 0.00 0.00 175.35 178.08 3d5d n GLU 54 N -1.35 1.97 0.00 1.68 1.02 -1.26 -2.06 120.64 120.64 3d5d n GLU 54 Ca -0.03 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3d5d n GLU 54 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 3d5d n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d5d n GLY 55 N 3.72 0.63 3.66 0.62 0.00 0.37 -4.98 105.19 109.22 3d5d n GLY 55 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3d5d n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d5d s ASP 56 N -2.69 7.03 -0.68 1.61 -0.00 -0.87 -4.78 116.67 116.28 3d5d s ASP 56 Ca 0.00 1.28 -0.25 0.00 -0.00 0.00 0.00 52.55 53.58 3d5d s ASP 56 Cb 0.00 -2.50 0.05 0.00 -0.00 0.00 0.00 42.92 40.46 3d5d s ASP 56 CO 0.00 -0.57 1.13 -0.69 -0.00 0.00 0.00 175.17 175.03 3d5d s VAL 57 N 2.85 4.03 0.32 -1.27 1.01 -1.26 -2.63 120.40 123.45 3d5d s VAL 57 Ca 0.41 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.62 3d5d s VAL 57 Cb -0.16 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.38 3d5d s VAL 57 CO 0.08 -1.62 -0.05 0.68 0.00 0.00 0.00 175.10 174.19 3d5d s VAL 58 N 4.90 2.60 -0.14 2.92 -7.23 -0.01 -4.92 120.40 118.52 3d5d s VAL 58 Ca 0.30 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 3d5d s VAL 58 Cb -0.12 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3d5d s VAL 58 CO 0.14 -0.26 0.16 -0.54 -0.31 0.00 0.00 175.10 174.29 3d5d s LYS 59 N -3.65 3.75 0.04 4.82 1.02 -1.26 -0.29 119.74 124.17 3d5d s LYS 59 Ca 0.33 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.19 3d5d s LYS 59 Cb -0.01 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3d5d s LYS 59 CO 0.18 0.59 -0.03 0.00 -0.92 0.00 0.00 175.35 175.17 3d5d s ALA 60 N -0.50 0.35 -0.13 5.17 0.00 -0.27 0.26 121.76 126.64 3d5d s ALA 60 Ca 0.13 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 3d5d s ALA 60 Cb -0.12 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3d5d s ALA 60 CO 0.02 -0.29 -0.13 0.54 0.00 0.00 0.00 175.76 175.90 3d5d s VAL 61 N -2.97 3.03 0.51 0.00 0.11 -0.60 0.32 120.40 120.80 3d5d s VAL 61 Ca -0.02 -0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 58.14 3d5d s VAL 61 Cb 0.01 -2.27 -0.07 0.00 -1.53 0.00 0.00 36.38 32.52 3d5d s VAL 61 CO -0.07 0.53 1.27 0.52 -3.33 0.00 0.00 175.10 174.02 3d5d n VAL 62 N 3.50 3.32 0.00 2.04 0.31 0.30 -1.48 118.33 126.32 3d5d n VAL 62 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3d5d n VAL 62 Cb 0.53 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3d5d n VAL 62 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3d5d n VAL 63 N -0.82 0.00 -3.78 2.52 0.24 -0.49 -2.69 118.33 113.31 3d5d n VAL 63 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.27 3d5d n VAL 63 Cb 0.43 -0.54 -0.12 0.00 -1.47 0.00 0.00 33.84 32.14 3d5d n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3d5d s ARG 64 N -1.54 0.26 0.14 7.34 0.52 -1.06 -3.93 118.95 120.68 3d5d s ARG 64 Ca 0.00 0.37 0.07 0.00 -0.52 0.00 0.00 55.73 55.65 3d5d s ARG 64 Cb 0.00 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 3d5d s ARG 64 CO 0.00 -0.06 -0.16 0.95 0.02 0.00 0.00 175.30 176.05 3d5d s THR 65 N 0.36 1.52 -0.06 0.02 -4.23 -1.22 -1.54 115.64 110.49 3d5d s THR 65 Ca -0.02 -1.81 0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3d5d s THR 65 Cb -0.03 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 3d5d s THR 65 CO -0.02 -0.39 1.39 0.50 -0.54 0.00 0.00 174.62 175.57 3d5d h LYS 66 N 3.38 0.00 -6.04 3.99 1.63 -1.80 -2.58 116.57 115.14 3d5d h LYS 66 Ca -0.41 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.79 3d5d h LYS 66 Cb 1.20 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.72 3d5d h LYS 66 CO 0.51 0.67 0.53 0.21 -3.45 0.00 0.00 179.45 177.92 3d5d s LYS 67 N -2.88 3.60 0.32 1.90 2.47 -1.26 -4.58 119.74 119.31 3d5d s LYS 67 Ca 0.03 0.22 -0.26 0.00 -1.56 0.00 0.00 55.97 54.40 3d5d s LYS 67 Cb 0.08 -3.89 -0.14 0.00 -1.46 0.00 0.00 37.83 32.42 3d5d s LYS 67 CO 0.77 -1.11 0.79 -0.85 0.16 0.00 0.00 175.35 175.11 3d5d n GLU 68 N 6.94 0.89 -3.74 4.03 0.00 -1.26 -4.58 120.64 122.92 3d5d n GLU 68 Ca 0.05 0.32 -0.36 0.00 0.00 0.00 0.00 57.16 57.17 3d5d n GLU 68 Cb 0.48 -1.61 -0.07 0.00 0.00 0.00 0.00 31.44 30.24 3d5d n GLU 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3d5d s VAL 69 N -1.18 5.41 0.13 3.84 1.01 -0.23 -4.93 120.40 124.45 3d5d s VAL 69 Ca 0.61 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.61 3d5d s VAL 69 Cb -0.71 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 3d5d s VAL 69 CO 0.58 0.50 0.82 -0.54 0.00 0.00 0.00 175.10 176.47 3d5d s LYS 70 N -0.17 4.61 -0.07 2.72 1.02 -1.26 -2.72 119.74 123.86 3d5d s LYS 70 Ca 0.12 1.22 -0.03 0.00 0.02 0.00 0.00 55.97 57.31 3d5d s LYS 70 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3d5d s LYS 70 CO 0.02 0.43 0.08 1.03 -0.92 0.00 0.00 175.35 175.99 3d5d s ARG 71 N -0.68 3.19 0.58 1.68 1.81 0.31 -4.99 118.95 120.86 3d5d s ARG 71 Ca 0.39 -0.33 0.28 0.00 -1.72 0.00 0.00 55.73 54.35 3d5d s ARG 71 Cb -0.23 -2.96 1.62 0.00 -0.45 0.00 0.00 34.95 32.93 3d5d s ARG 71 CO 0.27 0.71 2.10 -1.00 -0.68 0.00 0.00 175.30 176.70 3d5d h PRO 72 N 4.72 0.00 -1.10 3.54 0.13 -1.98 -0.63 132.00 136.68 3d5d h PRO 72 Ca -0.52 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.22 3d5d h PRO 72 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3d5d h PRO 72 CO 0.59 0.00 0.50 -0.40 -0.23 0.00 0.00 178.00 178.46 3d5d n ASP 73 N -3.88 4.63 0.00 1.44 5.68 -1.26 -4.86 116.55 118.30 3d5d n ASP 73 Ca 0.02 -3.19 0.00 0.00 -0.50 0.00 0.00 54.79 51.12 3d5d n ASP 73 Cb 0.33 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 3d5d n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d5d n GLY 74 N -0.49 1.51 3.66 6.12 0.00 -0.24 -4.95 105.19 110.79 3d5d n GLY 74 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 3d5d n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d5d s SER 75 N -1.94 2.82 -0.00 1.61 0.15 -1.25 -4.75 113.70 110.34 3d5d s SER 75 Ca 0.00 1.65 -0.13 0.00 0.70 0.00 0.00 55.95 58.17 3d5d s SER 75 Cb 0.00 -2.29 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 3d5d s SER 75 CO 0.00 -3.08 0.28 0.00 1.20 0.00 0.00 173.24 171.64 3d5d s ALA 76 N -2.77 -0.68 -0.15 5.45 0.00 -1.26 -0.53 121.76 121.82 3d5d s ALA 76 Ca 0.65 0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 3d5d s ALA 76 Cb -0.20 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.08 3d5d s ALA 76 CO 0.59 -0.27 0.35 -1.50 0.00 0.00 0.00 175.76 174.93 3d5d s ILE 77 N -1.48 -0.04 -0.01 0.00 -1.16 -1.10 -5.00 121.20 112.41 3d5d s ILE 77 Ca -0.13 0.12 0.04 0.00 -0.51 0.00 0.00 60.65 60.16 3d5d s ILE 77 Cb -0.05 -0.52 -0.01 0.00 0.61 0.00 0.00 42.46 42.49 3d5d s ILE 77 CO 0.03 0.05 -0.12 -0.60 -2.81 0.00 0.00 174.94 171.49 3d5d s ARG 78 N 1.37 1.00 0.58 3.50 3.52 -1.26 -1.07 118.95 126.59 3d5d s ARG 78 Ca -0.09 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 3d5d s ARG 78 Cb -0.09 -0.96 0.09 0.00 -1.56 0.00 0.00 34.95 32.43 3d5d s ARG 78 CO -0.11 0.24 0.80 -0.06 -0.81 0.00 0.00 175.30 175.36 3d5d s PHE 79 N -0.22 1.51 -0.09 5.12 0.40 -0.97 -5.01 117.98 118.71 3d5d s PHE 79 Ca 0.04 -0.65 0.15 0.00 -0.60 0.00 0.00 56.93 55.86 3d5d s PHE 79 Cb -0.05 -2.31 -0.14 0.00 0.51 0.00 0.00 43.02 41.03 3d5d s PHE 79 CO -0.00 -1.18 0.90 -0.44 0.70 0.00 0.00 175.22 175.19 3d5d h ASP 80 N 0.12 0.00 -5.47 1.36 5.19 -1.93 -3.41 116.42 112.28 3d5d h ASP 80 Ca -0.31 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 55.87 3d5d h ASP 80 Cb 1.29 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.71 3d5d h ASP 80 CO 0.41 0.70 -0.20 1.51 -3.12 0.00 0.00 179.24 178.54 3d5d s ASP 81 N -6.00 0.69 -0.23 6.45 3.84 -1.26 -4.88 116.67 115.27 3d5d s ASP 81 Ca -0.02 -1.38 -0.04 0.00 -0.00 0.00 0.00 52.55 51.11 3d5d s ASP 81 Cb 0.08 0.64 0.00 0.00 -1.38 0.00 0.00 42.92 42.26 3d5d s ASP 81 CO 0.81 -1.25 -0.04 0.20 -0.00 0.00 0.00 175.17 174.89 3d5d s ASN 82 N -3.19 4.37 0.28 2.11 -0.87 -1.26 -3.45 114.94 112.92 3d5d s ASN 82 Ca 0.29 -0.54 -0.01 0.00 -1.57 0.00 0.00 52.86 51.03 3d5d s ASN 82 Cb -0.00 -1.73 -0.02 0.00 -0.02 0.00 0.00 41.25 39.48 3d5d s ASN 82 CO 0.18 -0.06 0.31 0.00 -2.57 0.00 0.00 177.10 174.96 3d5d s ALA 83 N 1.44 0.99 0.00 0.60 0.00 -0.59 -0.04 121.76 124.17 3d5d s ALA 83 Ca 0.04 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3d5d s ALA 83 Cb -0.15 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.27 3d5d s ALA 83 CO -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 175.76 175.02 3d5d n ALA 84 N -0.45 0.00 -3.71 0.00 0.00 -0.93 -1.40 120.51 114.03 3d5d n ALA 84 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 3d5d n ALA 84 Cb 0.63 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.91 3d5d n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3d5d s VAL 85 N -2.77 -0.08 0.20 0.00 1.01 -0.55 -2.52 120.40 115.71 3d5d s VAL 85 Ca 0.00 0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.99 3d5d s VAL 85 Cb 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 36.38 36.12 3d5d s VAL 85 CO 0.00 0.15 1.69 -0.38 0.00 0.00 0.00 175.10 176.55 3d5d n ILE 86 N 4.85 0.06 -4.55 2.22 -0.00 -1.26 -1.55 119.36 119.12 3d5d n ILE 86 Ca -0.13 -0.01 -0.30 0.00 -0.00 0.00 0.00 62.75 62.31 3d5d n ILE 86 Cb 0.50 -1.90 -0.08 0.00 -0.00 0.00 0.00 39.64 38.16 3d5d n ILE 86 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3d5d s ILE 87 N 1.06 1.65 0.27 1.39 1.01 0.14 -2.57 121.20 124.14 3d5d s ILE 87 Ca 0.75 -1.92 0.05 0.00 0.00 0.00 0.00 60.65 59.53 3d5d s ILE 87 Cb -0.54 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3d5d s ILE 87 CO 0.34 0.00 0.40 0.21 0.00 0.00 0.00 174.94 175.89 3d5d s ASN 88 N -3.86 6.26 0.66 3.58 3.84 0.14 -4.50 114.94 121.06 3d5d s ASN 88 Ca 0.23 0.08 0.39 0.00 0.21 0.00 0.00 52.86 53.78 3d5d s ASN 88 Cb 0.04 -1.79 2.15 0.00 -0.55 0.00 0.00 41.25 41.11 3d5d s ASN 88 CO 0.12 -0.16 2.23 0.78 -2.79 0.00 0.00 177.10 177.28 3d5d h ASN 89 N 1.07 0.00 0.00 -4.21 4.21 -1.95 1.51 115.58 116.21 3d5d h ASN 89 Ca -0.51 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3d5d h ASN 89 Cb 1.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 3d5d h ASN 89 CO 0.60 0.00 0.00 1.67 -1.29 0.00 0.00 177.43 178.41 3d5d n GLN 90 N -3.09 0.97 -3.66 0.81 -0.06 -1.26 -4.88 117.38 106.21 3d5d n GLN 90 Ca -0.02 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.71 3d5d n GLN 90 Cb 0.17 -1.22 0.04 0.00 -4.06 0.00 0.00 30.24 25.17 3d5d n GLN 90 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3d5d n LEU 91 N -0.72 -2.69 -4.11 1.69 7.99 0.52 -5.00 117.00 114.68 3d5d n LEU 91 Ca 0.10 -0.61 -0.21 0.00 -0.01 0.00 0.00 56.01 55.28 3d5d n LEU 91 Cb 0.05 -2.70 -0.14 0.00 -0.11 0.00 0.00 43.42 40.52 3d5d n LEU 91 CO 0.08 0.46 -0.46 -1.61 -1.51 0.00 0.00 177.39 174.34 3d5d s GLU 92 N -6.36 0.99 0.14 3.23 2.02 -1.25 -4.78 118.70 112.69 3d5d s GLU 92 Ca 0.57 -0.58 -0.34 0.00 0.02 0.00 0.00 54.97 54.65 3d5d s GLU 92 Cb -0.28 -0.97 -0.13 0.00 0.10 0.00 0.00 34.13 32.85 3d5d s GLU 92 CO 0.71 0.26 1.62 -0.35 0.02 0.00 0.00 175.26 177.51 3d5d n PRO 93 N 2.41 2.20 0.23 0.39 -0.04 -1.26 0.26 135.00 139.19 3d5d n PRO 93 Ca -0.16 0.80 0.06 0.00 -0.04 0.00 0.00 63.50 64.16 3d5d n PRO 93 Cb 0.55 -2.58 0.54 0.00 -0.04 0.00 0.00 33.50 31.98 3d5d n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d5d h ARG 94 N 6.33 0.00 0.00 0.54 3.08 -1.77 -3.44 114.38 119.12 3d5d h ARG 94 Ca -0.45 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.17 3d5d h ARG 94 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3d5d h ARG 94 CO 0.90 0.15 -0.12 0.41 -1.07 0.00 0.00 179.97 180.24 3d5d n GLY 95 N -1.08 2.26 0.00 0.04 0.00 -1.26 -4.99 105.19 100.16 3d5d n GLY 95 Ca -0.03 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.76 3d5d n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d5d n THR 96 N -1.87 0.00 -0.81 2.61 -2.24 -1.26 -4.97 114.28 105.74 3d5d n THR 96 Ca 0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 3d5d n THR 96 Cb 0.51 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 3d5d n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3d5d n ARG 97 N 0.00 0.00 -3.80 -0.78 0.63 -1.26 -4.59 116.66 106.86 3d5d n ARG 97 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 3d5d n ARG 97 Cb 0.00 -0.77 -0.11 0.00 0.45 0.00 0.00 32.46 32.03 3d5d n ARG 97 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3d5d s VAL 98 N 2.01 3.27 0.41 5.15 0.11 -1.26 -3.00 120.40 127.08 3d5d s VAL 98 Ca 0.56 -2.70 -0.18 0.00 -2.93 0.00 0.00 61.98 56.73 3d5d s VAL 98 Cb -0.77 -3.20 -0.10 0.00 -1.53 0.00 0.00 36.38 30.78 3d5d s VAL 98 CO 0.39 -0.78 0.88 0.72 -3.33 0.00 0.00 175.10 172.98 3d5d s PHE 99 N 0.34 3.35 0.00 1.54 -0.71 -0.11 -4.30 117.98 118.09 3d5d s PHE 99 Ca 0.14 1.44 0.00 0.00 -1.04 0.00 0.00 56.93 57.47 3d5d s PHE 99 Cb -0.22 -2.73 0.00 0.00 -1.21 0.00 0.00 43.02 38.87 3d5d s PHE 99 CO -0.03 -0.08 0.00 0.41 -1.34 0.00 0.00 175.22 174.18 3d5d n GLY 100 N -0.70 1.99 3.46 1.99 0.00 -1.26 -4.52 105.19 106.14 3d5d n GLY 100 Ca 0.06 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3d5d n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d5d n PRO 101 N 2.43 -0.54 0.00 1.61 -0.02 -1.26 -4.77 135.00 132.45 3d5d n PRO 101 Ca 0.00 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3d5d n PRO 101 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3d5d n PRO 101 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3d5d n VAL 102 N -3.87 0.00 -4.12 -1.45 0.24 -0.97 -4.83 118.33 103.33 3d5d n VAL 102 Ca 0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.27 3d5d n VAL 102 Cb 0.54 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 3d5d n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d5d s ALA 103 N -2.00 0.76 -0.44 2.33 0.00 -1.25 -3.93 121.76 117.23 3d5d s ALA 103 Ca 0.00 -1.19 0.26 0.00 0.00 0.00 0.00 51.96 51.02 3d5d s ALA 103 Cb 0.00 0.17 0.98 0.00 0.00 0.00 0.00 23.12 24.27 3d5d s ALA 103 CO 0.00 -0.23 1.76 0.00 0.00 0.00 0.00 175.76 177.29 3d5d h ARG 104 N 3.31 0.00 -0.58 0.00 3.08 -1.64 -2.94 114.38 115.61 3d5d h ARG 104 Ca -0.35 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 3d5d h ARG 104 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 3d5d h ARG 104 CO 0.60 0.00 0.09 0.93 -1.07 0.00 0.00 179.97 180.52 3d5d h GLU 105 N 0.00 0.94 -0.17 0.04 3.07 -1.94 -1.88 114.58 114.64 3d5d h GLU 105 Ca 0.00 -0.23 0.05 0.00 -0.50 0.00 0.00 59.36 58.68 3d5d h GLU 105 Cb 0.50 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3d5d h GLU 105 CO 0.00 0.88 0.36 -0.07 -1.40 0.00 0.00 179.01 178.78 3d5d h LEU 106 N 0.89 0.00 -0.29 1.33 4.07 -1.85 -1.06 115.31 118.40 3d5d h LEU 106 Ca 0.18 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.94 3d5d h LEU 106 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3d5d h LEU 106 CO 0.01 0.00 -0.66 -0.09 -1.08 0.00 0.00 178.44 176.62 3d5d h ARG 107 N 0.00 0.76 -0.13 1.13 2.43 -1.52 -2.77 114.38 114.27 3d5d h ARG 107 Ca 0.08 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3d5d h ARG 107 Cb 0.81 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3d5d h ARG 107 CO -0.00 1.17 0.00 0.39 -1.51 0.00 0.00 179.97 180.01 3d5d n GLU 108 N -3.95 1.31 0.00 0.20 1.02 -0.40 -3.18 120.64 115.64 3d5d n GLU 108 Ca -0.05 -0.49 0.03 0.00 -0.02 0.00 0.00 57.16 56.63 3d5d n GLU 108 Cb 0.68 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.98 3d5d n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d5d n LYS 109 N -0.11 2.78 -0.40 3.49 4.76 -1.12 -5.00 118.16 122.56 3d5d n LYS 109 Ca 0.05 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.09 3d5d n LYS 109 Cb 0.12 -0.94 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 3d5d n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d5d n GLY 110 N 0.81 0.79 1.81 0.72 0.00 -1.19 -4.96 105.19 103.17 3d5d n GLY 110 Ca 0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3d5d n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d5d n PHE 111 N -2.40 1.88 0.11 1.61 3.72 -1.06 -4.46 117.46 116.86 3d5d n PHE 111 Ca 0.00 -1.54 0.18 0.00 -0.05 0.00 0.00 57.45 56.04 3d5d n PHE 111 Cb 0.00 -0.77 0.73 0.00 -0.94 0.00 0.00 39.48 38.50 3d5d n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d5d h MET 112 N 0.85 0.00 -0.80 -1.08 -0.00 -1.86 0.54 114.93 112.59 3d5d h MET 112 Ca 0.38 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 60.15 3d5d h MET 112 Cb 1.83 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 33.37 3d5d h MET 112 CO 0.74 0.00 0.52 -0.22 -0.00 0.00 0.00 176.91 177.95 3d5d h LYS 113 N 0.00 0.82 0.26 -0.10 3.11 -1.97 0.06 116.57 118.76 3d5d h LYS 113 Ca 0.16 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 3d5d h LYS 113 Cb 0.72 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 3d5d h LYS 113 CO -0.00 0.54 -0.13 0.82 -2.81 0.00 0.00 179.45 177.87 3d5d h ILE 114 N 0.84 0.68 -0.15 2.00 1.08 -0.30 -3.27 117.51 118.40 3d5d h ILE 114 Ca 0.35 -0.83 0.04 0.00 -0.39 0.00 0.00 64.86 64.03 3d5d h ILE 114 Cb 0.28 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 3d5d h ILE 114 CO -0.13 0.15 0.17 -0.37 -0.69 0.00 0.00 178.15 177.29 3d5d h VAL 115 N -0.85 0.46 -0.11 1.67 -1.51 -0.79 0.16 116.25 115.28 3d5d h VAL 115 Ca -0.04 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.27 3d5d h VAL 115 Cb 0.51 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 3d5d h VAL 115 CO 0.06 0.00 -0.64 0.77 -1.23 0.00 0.00 177.57 176.52 3d5d h SER 116 N 0.00 0.49 0.75 4.19 4.64 -1.06 -2.99 113.55 119.57 3d5d h SER 116 Ca 0.07 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3d5d h SER 116 Cb 0.42 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3d5d h SER 116 CO -0.00 1.01 -0.71 0.18 -0.87 0.00 0.00 176.83 176.43 3d5d n LEU 117 N -3.89 0.67 -4.59 5.97 4.77 0.24 -4.78 117.00 115.39 3d5d n LEU 117 Ca -0.04 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 3d5d n LEU 117 Cb 0.65 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3d5d n LEU 117 CO 0.47 -0.03 0.92 0.00 -1.33 0.00 0.00 177.39 177.42 3d5d s ALA 118 N -3.17 3.22 0.08 -1.18 0.00 0.30 -4.07 121.76 116.94 3d5d s ALA 118 Ca 0.06 -0.55 -0.34 0.00 0.00 0.00 0.00 51.96 51.13 3d5d s ALA 118 Cb 0.14 -3.77 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 3d5d s ALA 118 CO 0.74 -2.10 1.59 -1.00 0.00 0.00 0.00 175.76 174.99 3d5d h PRO 119 N 9.05 -0.93 -4.42 0.00 0.13 -1.83 -3.34 132.00 130.65 3d5d h PRO 119 Ca -0.23 0.06 -0.75 0.00 -0.87 0.00 0.00 66.00 64.22 3d5d h PRO 119 Cb 1.07 0.21 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 3d5d h PRO 119 CO 1.08 -0.62 0.78 -2.00 -0.23 0.00 0.00 178.00 177.01 3d5d s GLU 120 N -5.95 3.87 -1.25 0.86 2.56 -1.26 -4.95 118.70 112.58 3d5d s GLU 120 Ca -0.18 -2.44 -0.19 0.00 0.00 0.00 0.00 54.97 52.16 3d5d s GLU 120 Cb 0.04 -4.80 0.07 0.00 2.00 0.00 0.00 34.13 31.44 3d5d s GLU 120 CO 0.62 -1.57 1.69 0.08 -0.56 0.00 0.00 175.26 175.51 3d5d s VAL 121 N 1.08 4.09 -2.65 3.70 1.01 -1.25 -2.28 120.40 124.09 3d5d s VAL 121 Ca 0.33 -1.73 0.27 0.00 0.00 0.00 0.00 61.98 60.84 3d5d s VAL 121 Cb -0.06 -5.18 0.44 0.00 0.00 0.00 0.00 36.38 31.58 3d5d s VAL 121 CO -0.06 -2.01 1.60 -0.11 0.00 0.00 0.00 175.10 174.51