#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n13 s MET 55 N 0.00 4.11 0.64 0.38 -2.45 -0.30 -4.93 119.30 116.75 1n13 s MET 55 Ca 0.00 0.63 -0.18 0.00 -1.25 0.00 0.00 55.69 54.90 1n13 s MET 55 Cb 0.00 -3.66 -0.02 0.00 1.25 0.00 0.00 34.83 32.40 1n13 s MET 55 CO 0.00 -0.46 1.15 -2.30 1.05 0.00 0.00 175.02 174.46 1n13 n PRO 56 N 5.81 0.96 -1.70 4.11 -0.02 -1.26 -0.60 135.00 142.30 1n13 n PRO 56 Ca 0.01 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 1n13 n PRO 56 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1n13 n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n13 n PRO 57 N -1.62 2.05 -0.59 0.52 -0.02 -1.26 -1.88 135.00 132.20 1n13 n PRO 57 Ca 0.15 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1n13 n PRO 57 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1n13 n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n13 n GLU 58 N 0.29 0.00 -1.98 -0.52 -0.58 -1.25 -4.98 120.64 111.61 1n13 n GLU 58 Ca 0.05 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.43 1n13 n GLU 58 Cb 0.38 -3.11 0.03 0.00 -0.57 0.00 0.00 31.44 28.18 1n13 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n13 s ALA 59 N -2.62 2.60 -0.06 0.62 0.00 -0.79 -5.02 121.76 116.49 1n13 s ALA 59 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1n13 s ALA 59 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1n13 s ALA 59 CO 0.00 -1.19 -0.10 -2.00 0.00 0.00 0.00 175.76 172.47 1n13 s GLU 60 N -3.23 2.66 -0.25 0.00 2.12 -1.26 -5.01 118.70 113.73 1n13 s GLU 60 Ca 0.76 -0.61 -0.27 0.00 0.36 0.00 0.00 54.97 55.20 1n13 s GLU 60 Cb -0.32 -2.50 0.01 0.00 0.26 0.00 0.00 34.13 31.57 1n13 s GLU 60 CO 0.35 0.63 0.97 0.42 -0.54 0.00 0.00 175.26 177.10 1n13 s ILE 61 N -0.74 4.71 0.16 -3.70 1.01 -1.26 -5.02 121.20 116.37 1n13 s ILE 61 Ca 0.11 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1n13 s ILE 61 Cb -0.11 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1n13 s ILE 61 CO 0.01 -0.18 -0.02 0.68 0.00 0.00 0.00 174.94 175.43 1n13 s VAL 62 N 3.13 0.78 0.58 2.92 -7.23 -1.26 -5.14 120.40 114.19 1n13 s VAL 62 Ca 0.41 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 1n13 s VAL 62 Cb -0.15 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1n13 s VAL 62 CO 0.08 -0.55 1.22 -2.84 -0.31 0.00 0.00 175.10 172.69 1n13 s PRO 63 N -3.88 3.02 -0.15 4.82 0.02 -1.26 -4.85 135.00 132.73 1n13 s PRO 63 Ca 0.22 1.85 -0.37 0.00 0.02 0.00 0.00 61.00 62.72 1n13 s PRO 63 Cb 0.05 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 1n13 s PRO 63 CO 0.03 -1.18 1.80 -0.11 -0.33 0.00 0.00 177.00 177.21 1n13 n LEU 64 N -1.50 2.97 -4.75 -5.54 7.94 -1.26 -4.94 117.00 109.92 1n13 n LEU 64 Ca 0.13 1.02 -0.29 0.00 -1.11 0.00 0.00 56.01 55.76 1n13 n LEU 64 Cb 0.49 -1.28 0.15 0.00 0.53 0.00 0.00 43.42 43.31 1n13 n LEU 64 CO 0.45 -0.24 0.69 -2.84 -1.11 0.00 0.00 177.39 174.34 1n13 s PRO 65 N 3.64 0.97 -0.31 1.96 0.02 -1.26 -4.97 135.00 135.05 1n13 s PRO 65 Ca 0.94 0.42 -0.29 0.00 0.02 0.00 0.00 61.00 62.09 1n13 s PRO 65 Cb -0.85 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 31.87 1n13 s PRO 65 CO 0.56 -2.34 1.20 0.21 -0.33 0.00 0.00 177.00 176.30 1n13 s LYS 66 N -5.15 3.99 -0.17 5.54 2.20 -1.26 -5.00 119.74 119.89 1n13 s LYS 66 Ca 0.64 1.17 -0.08 0.00 -0.36 0.00 0.00 55.97 57.34 1n13 s LYS 66 Cb -0.16 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1n13 s LYS 66 CO 0.55 -1.02 0.09 -0.51 -0.36 0.00 0.00 175.35 174.10 1n13 s LEU 67 N 4.04 4.02 0.35 5.43 1.43 -1.26 -5.08 118.68 127.60 1n13 s LEU 67 Ca 0.51 0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 53.53 1n13 s LEU 67 Cb -0.15 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 1n13 s LEU 67 CO 0.20 0.23 1.34 -2.84 0.23 0.00 0.00 176.35 175.51 1n13 s PRO 68 N 0.02 4.26 0.24 1.29 0.02 -1.26 -4.91 135.00 134.66 1n13 s PRO 68 Ca 0.07 2.27 -0.31 0.00 0.02 0.00 0.00 61.00 63.05 1n13 s PRO 68 Cb -0.12 -3.01 -0.12 0.00 0.02 0.00 0.00 34.50 31.27 1n13 s PRO 68 CO 0.00 -0.29 1.59 -1.33 -0.33 0.00 0.00 177.00 176.65 1n13 n MET 69 N 0.65 2.52 -0.35 5.54 2.81 -1.26 -1.72 117.12 125.30 1n13 n MET 69 Ca 0.01 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 1n13 n MET 69 Cb 0.42 -2.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 1n13 n MET 69 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n13 n GLY 70 N 2.83 1.04 3.62 3.03 0.00 -1.26 -5.03 105.19 109.42 1n13 n GLY 70 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1n13 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n13 n ALA 71 N -0.59 0.28 -3.07 4.61 0.00 -0.70 -4.92 120.51 116.13 1n13 n ALA 71 Ca 0.00 0.19 -0.45 0.00 0.00 0.00 0.00 53.44 53.19 1n13 n ALA 71 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1n13 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n13 s LEU 72 N -0.86 5.34 -0.32 0.00 1.43 -1.26 -5.03 118.68 117.99 1n13 s LEU 72 Ca 0.65 -1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 1n13 s LEU 72 Cb -0.53 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1n13 s LEU 72 CO 0.55 -1.10 0.19 -0.69 0.23 0.00 0.00 176.35 175.54 1n13 s VAL 73 N 2.62 5.00 -0.01 -1.59 1.01 -1.26 -5.05 120.40 121.11 1n13 s VAL 73 Ca 0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1n13 s VAL 73 Cb -0.19 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1n13 s VAL 73 CO 0.03 0.07 1.64 -2.84 0.00 0.00 0.00 175.10 174.00 1n13 s PRO 74 N 1.68 4.19 -0.01 2.72 0.02 -1.26 -4.91 135.00 137.44 1n13 s PRO 74 Ca 0.06 2.22 -0.00 0.00 0.02 0.00 0.00 61.00 63.29 1n13 s PRO 74 Cb -0.17 -3.85 0.01 0.00 0.02 0.00 0.00 34.50 30.51 1n13 s PRO 74 CO 0.09 -0.79 0.01 0.99 -0.33 0.00 0.00 177.00 176.97 1n13 s THR 75 N 3.53 -0.02 -0.22 0.99 2.01 -1.26 -1.00 115.64 119.67 1n13 s THR 75 Ca 0.73 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.71 1n13 s THR 75 Cb -0.35 -0.04 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1n13 s THR 75 CO 0.30 0.03 0.12 0.00 -0.69 0.00 0.00 174.62 174.39 1n13 s ALA 76 N 0.36 3.51 0.08 7.40 0.00 -0.53 -4.96 121.76 127.61 1n13 s ALA 76 Ca -0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 1n13 s ALA 76 Cb -0.04 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1n13 s ALA 76 CO -0.01 -0.11 0.23 1.52 0.00 0.00 0.00 175.76 177.39 1n13 s TYR 77 N 0.90 0.05 0.03 0.00 -0.85 -1.26 -0.46 117.35 115.76 1n13 s TYR 77 Ca 0.06 -0.38 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 1n13 s TYR 77 Cb -0.13 0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 1n13 s TYR 77 CO 0.03 -0.53 -0.15 0.20 -1.52 0.00 0.00 175.55 173.58 1n13 s GLY 78 N -2.57 0.82 0.13 5.49 0.00 -0.32 -4.94 107.32 105.92 1n13 s GLY 78 Ca 0.01 -0.83 -0.19 0.00 0.00 0.00 0.00 44.72 43.70 1n13 s GLY 78 CO -0.08 -0.79 0.48 -2.52 0.00 0.00 0.00 173.10 170.18 1n13 s TYR 79 N -0.79 -0.35 -0.11 1.90 -0.85 -1.26 -1.63 117.35 114.26 1n13 s TYR 79 Ca 0.03 0.12 -0.10 0.00 -0.52 0.00 0.00 57.07 56.60 1n13 s TYR 79 Cb -0.08 0.37 0.03 0.00 0.38 0.00 0.00 41.96 42.67 1n13 s TYR 79 CO 0.01 -0.74 0.29 -1.50 -1.52 0.00 0.00 175.55 172.09 1n13 s ILE 80 N -3.60 -0.00 -0.05 -3.49 2.07 -0.74 -4.87 121.20 110.52 1n13 s ILE 80 Ca 0.01 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.31 1n13 s ILE 80 Cb 0.01 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 1n13 s ILE 80 CO -0.11 0.01 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.10 1n13 s ILE 81 N 0.26 1.60 0.00 2.00 1.01 -1.26 -1.51 121.20 123.30 1n13 s ILE 81 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1n13 s ILE 81 Cb -0.03 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1n13 s ILE 81 CO -0.01 0.46 -0.01 -0.55 0.00 0.00 0.00 174.94 174.83 1n13 s SER 82 N -0.04 0.10 -0.20 3.58 0.15 -0.59 -5.01 113.70 111.69 1n13 s SER 82 Ca -0.03 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.67 1n13 s SER 82 Cb -0.12 0.01 0.44 0.00 -1.71 0.00 0.00 66.02 64.64 1n13 s SER 82 CO 0.02 -0.04 1.32 -0.90 1.20 0.00 0.00 173.24 174.85 1n13 n ASP 83 N 2.83 2.66 -4.38 5.45 5.75 -1.26 -1.13 116.55 126.46 1n13 n ASP 83 Ca -0.14 -3.42 -0.43 0.00 -0.01 0.00 0.00 54.79 50.79 1n13 n ASP 83 Cb 0.59 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 40.05 1n13 n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1n13 s VAL 84 N -3.04 4.95 0.19 2.12 1.01 -1.26 -4.80 120.40 119.56 1n13 s VAL 84 Ca 0.39 -0.99 -0.33 0.00 0.00 0.00 0.00 61.98 61.06 1n13 s VAL 84 Cb 0.35 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1n13 s VAL 84 CO 0.02 -0.44 1.39 -2.65 0.00 0.00 0.00 175.10 173.41 1n13 n PRO 85 N 5.11 1.78 0.00 2.72 -0.02 -1.26 -1.86 135.00 141.47 1n13 n PRO 85 Ca -0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1n13 n PRO 85 Cb 0.45 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1n13 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n13 n GLY 86 N 2.44 2.58 3.74 -1.23 0.00 0.70 -5.00 105.19 108.43 1n13 n GLY 86 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1n13 n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n13 s GLU 87 N -0.35 4.47 -0.28 1.61 2.12 -0.78 -4.70 118.70 120.80 1n13 s GLU 87 Ca 0.00 1.94 -0.11 0.00 0.36 0.00 0.00 54.97 57.16 1n13 s GLU 87 Cb 0.00 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1n13 s GLU 87 CO 0.00 -0.10 0.19 0.99 -0.54 0.00 0.00 175.26 175.80 1n13 s THR 88 N -0.25 5.31 0.10 -1.70 2.01 -1.26 -0.86 115.64 118.99 1n13 s THR 88 Ca 0.52 0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.80 1n13 s THR 88 Cb -0.34 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1n13 s THR 88 CO 0.39 0.26 -0.23 0.27 -0.69 0.00 0.00 174.62 174.61 1n13 s ILE 89 N 1.72 2.46 0.05 1.82 -4.36 0.25 -3.02 121.20 120.12 1n13 s ILE 89 Ca 0.07 -1.56 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 1n13 s ILE 89 Cb -0.16 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1n13 s ILE 89 CO 0.11 0.17 -0.03 -0.44 0.24 0.00 0.00 174.94 174.98 1n13 s SER 90 N -1.88 0.55 -0.01 4.36 0.01 -0.28 0.05 113.70 116.51 1n13 s SER 90 Ca 0.15 -1.00 -0.03 0.00 1.31 0.00 0.00 55.95 56.38 1n13 s SER 90 Cb -0.10 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1n13 s SER 90 CO 0.06 -0.58 0.06 0.00 0.41 0.00 0.00 173.24 173.19 1n13 s ALA 91 N -3.87 -0.15 0.05 1.44 0.00 -0.72 -1.55 121.76 116.95 1n13 s ALA 91 Ca 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1n13 s ALA 91 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1n13 s ALA 91 CO -0.09 -0.08 0.11 0.00 0.00 0.00 0.00 175.76 175.69 1n13 s ALA 92 N -0.46 -0.07 0.00 0.00 0.00 0.60 -1.48 121.76 120.36 1n13 s ALA 92 Ca -0.05 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1n13 s ALA 92 Cb -0.03 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 1n13 s ALA 92 CO 0.00 -0.36 -0.04 0.42 0.00 0.00 0.00 175.76 175.78 1n13 s ILE 93 N -2.96 0.28 0.04 0.00 -1.09 -0.35 -1.25 121.20 115.86 1n13 s ILE 93 Ca -0.02 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1n13 s ILE 93 Cb 0.01 -0.25 -0.02 0.00 -1.58 0.00 0.00 42.46 40.61 1n13 s ILE 93 CO -0.06 0.03 -0.08 -0.94 -1.23 0.00 0.00 174.94 172.66 1n13 s SER 94 N -0.21 0.88 -0.20 3.58 1.04 -0.41 -1.52 113.70 116.87 1n13 s SER 94 Ca 0.00 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 1n13 s SER 94 Cb -0.02 0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1n13 s SER 94 CO -0.00 -0.17 -0.00 -0.69 0.98 0.00 0.00 173.24 173.35 1n13 s VAL 95 N -1.26 0.88 -0.20 5.02 1.01 0.13 -0.92 120.40 125.06 1n13 s VAL 95 Ca -0.08 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1n13 s VAL 95 Cb -0.09 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1n13 s VAL 95 CO 0.00 -0.12 0.73 0.00 0.00 0.00 0.00 175.10 175.71 1n13 s ALA 96 N 1.70 3.56 -0.16 5.51 0.00 0.67 -1.13 121.76 131.92 1n13 s ALA 96 Ca -0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 1n13 s ALA 96 Cb -0.17 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1n13 s ALA 96 CO -0.07 -0.68 0.10 0.42 0.00 0.00 0.00 175.76 175.53 1n13 s ILE 97 N 2.21 5.11 0.48 0.00 1.01 0.07 -1.29 121.20 128.80 1n13 s ILE 97 Ca 0.33 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 1n13 s ILE 97 Cb -0.16 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 1n13 s ILE 97 CO 0.10 0.52 0.86 -2.16 0.00 0.00 0.00 174.94 174.26 1n13 s PRO 98 N -0.19 3.74 0.08 2.79 0.04 -1.26 -0.38 135.00 139.82 1n13 s PRO 98 Ca 0.09 0.57 -0.09 0.00 0.04 0.00 0.00 61.00 61.61 1n13 s PRO 98 Cb -0.12 -2.28 -0.25 0.00 0.04 0.00 0.00 34.50 31.89 1n13 s PRO 98 CO 0.01 -0.21 1.15 0.87 0.04 0.00 0.00 177.00 178.87 1n13 h LYS 99 N 0.73 0.45 -6.26 4.56 1.57 -1.68 -3.41 116.57 112.54 1n13 h LYS 99 Ca -0.47 -0.63 -0.58 0.00 -1.87 0.00 0.00 60.65 57.10 1n13 h LYS 99 Cb 1.19 0.22 -0.10 0.00 0.08 0.00 0.00 32.23 33.62 1n13 h LYS 99 CO 0.63 1.27 0.78 0.34 -0.57 0.00 0.00 179.45 181.89 1n13 s ASP 100 N -7.28 6.41 0.12 0.86 -1.08 -1.26 -4.90 116.67 109.54 1n13 s ASP 100 Ca -0.07 -0.07 0.14 0.00 -0.52 0.00 0.00 52.55 52.04 1n13 s ASP 100 Cb 0.07 -2.50 0.64 0.00 -1.46 0.00 0.00 42.92 39.67 1n13 s ASP 100 CO 0.90 -1.34 1.43 0.29 0.52 0.00 0.00 175.17 176.98 1n13 n LYS 101 N 7.92 0.07 0.09 4.34 4.76 -1.26 -1.42 118.16 132.67 1n13 n LYS 101 Ca 0.06 0.43 0.13 0.00 -2.87 0.00 0.00 58.31 56.06 1n13 n LYS 101 Cb 0.48 -1.67 0.44 0.00 -1.84 0.00 0.00 35.03 32.45 1n13 n LYS 101 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1n13 n SER 102 N -1.81 0.67 -4.96 4.39 3.41 -1.26 -3.79 113.62 110.27 1n13 n SER 102 Ca 0.01 0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 58.97 1n13 n SER 102 Cb 0.11 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.35 1n13 n SER 102 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n13 s LEU 103 N -4.26 3.33 0.42 1.04 1.43 -0.50 -4.83 118.68 115.31 1n13 s LEU 103 Ca 0.11 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1n13 s LEU 103 Cb 0.13 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1n13 s LEU 103 CO 0.58 -1.06 0.60 0.00 0.23 0.00 0.00 176.35 176.70 1n13 s GLY 105 N -4.27 1.31 -0.14 0.00 0.00 0.23 -4.46 107.32 100.00 1n13 s GLY 105 Ca 0.50 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1n13 s GLY 105 CO 0.35 -1.00 -0.16 -2.27 0.00 0.00 0.00 173.10 170.02 1n13 s LEU 106 N -4.13 2.49 -0.20 0.66 2.96 -0.41 -1.16 118.68 118.90 1n13 s LEU 106 Ca 0.38 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1n13 s LEU 106 Cb -0.09 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1n13 s LEU 106 CO 0.33 0.12 0.07 -0.63 -1.32 0.00 0.00 176.35 174.91 1n13 s ILE 107 N 0.62 4.72 0.12 6.68 1.01 -1.26 -0.24 121.20 132.84 1n13 s ILE 107 Ca -0.09 -0.05 0.10 0.00 0.00 0.00 0.00 60.65 60.61 1n13 s ILE 107 Cb -0.16 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1n13 s ILE 107 CO 0.03 0.43 -0.25 -0.04 0.00 0.00 0.00 174.94 175.11 1n13 s MET 108 N 0.61 1.33 0.07 2.79 -1.94 -0.09 -4.74 119.30 117.33 1n13 s MET 108 Ca 0.03 -1.28 0.05 0.00 -1.71 0.00 0.00 55.69 52.79 1n13 s MET 108 Cb -0.13 -1.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 1n13 s MET 108 CO 0.01 0.41 -0.15 -1.83 -0.01 0.00 0.00 175.02 173.46 1n13 s GLU 109 N -1.98 0.87 0.01 2.03 1.03 -1.26 -1.29 118.70 118.12 1n13 s GLU 109 Ca 0.12 -0.93 -0.12 0.00 0.03 0.00 0.00 54.97 54.06 1n13 s GLU 109 Cb -0.10 -0.90 0.02 0.00 -0.80 0.00 0.00 34.13 32.35 1n13 s GLU 109 CO 0.05 0.20 0.26 -0.47 -1.33 0.00 0.00 175.26 173.98 1n13 s TYR 110 N -1.18 -0.08 0.01 4.83 5.04 -0.38 -4.99 117.35 120.60 1n13 s TYR 110 Ca -0.01 0.03 -0.19 0.00 -2.44 0.00 0.00 57.07 54.46 1n13 s TYR 110 Cb -0.10 0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.30 1n13 s TYR 110 CO 0.02 -0.41 0.42 -1.83 -1.34 0.00 0.00 175.55 172.42 1n13 s GLU 111 N -1.84 0.86 0.00 4.97 1.03 -1.26 -0.29 118.70 122.17 1n13 s GLU 111 Ca -0.10 -0.20 0.00 0.00 0.03 0.00 0.00 54.97 54.69 1n13 s GLU 111 Cb -0.04 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.68 1n13 s GLU 111 CO 0.01 -0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.07 1n13 n GLY 112 N 0.82 0.68 3.36 -3.83 0.00 -0.60 -5.00 105.19 100.63 1n13 n GLY 112 Ca -0.20 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1n13 n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n13 n LYS 113 N -0.34 3.27 -3.80 1.61 5.02 -1.26 -1.12 118.16 121.54 1n13 n LYS 113 Ca 0.00 -3.45 -0.11 0.00 -2.02 0.00 0.00 58.31 52.73 1n13 n LYS 113 Cb 0.00 -3.24 -0.00 0.00 -0.02 0.00 0.00 35.03 31.77 1n13 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n13 s SER 115 N -3.06 5.12 0.27 0.00 1.04 -1.26 -3.72 113.70 112.08 1n13 s SER 115 Ca 0.22 0.98 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 1n13 s SER 115 Cb -0.03 -1.68 0.34 0.00 0.10 0.00 0.00 66.02 64.75 1n13 s SER 115 CO 0.16 -1.53 1.88 0.50 0.98 0.00 0.00 173.24 175.23 1n13 h LYS 116 N -0.77 1.08 -0.25 4.02 3.64 -1.91 -1.75 116.57 120.62 1n13 h LYS 116 Ca -0.45 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 58.77 1n13 h LYS 116 Cb 1.28 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1n13 h LYS 116 CO 0.64 0.81 0.09 0.87 -2.27 0.00 0.00 179.45 179.59 1n13 h LYS 117 N 1.08 0.39 -0.51 1.90 1.57 -1.96 -1.90 116.57 117.14 1n13 h LYS 117 Ca 0.27 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1n13 h LYS 117 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1n13 h LYS 117 CO -0.04 0.46 0.09 1.49 -0.57 0.00 0.00 179.45 180.88 1n13 h GLU 118 N 0.25 0.85 -0.34 3.15 4.81 -1.89 -1.50 114.58 119.92 1n13 h GLU 118 Ca 0.08 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1n13 h GLU 118 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1n13 h GLU 118 CO -0.00 0.83 0.22 0.00 -0.73 0.00 0.00 179.01 179.33 1n13 h ALA 119 N 0.98 0.43 -0.52 2.92 0.00 -1.24 -0.52 119.26 121.30 1n13 h ALA 119 Ca 0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n13 h ALA 119 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1n13 h ALA 119 CO 0.01 -0.12 0.06 1.49 0.00 0.00 0.00 179.25 180.69 1n13 h GLU 120 N 0.44 0.88 -0.49 0.00 4.81 -1.26 -0.90 114.58 118.07 1n13 h GLU 120 Ca 0.13 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1n13 h GLU 120 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1n13 h GLU 120 CO -0.03 0.88 0.32 -0.22 -0.73 0.00 0.00 179.01 179.23 1n13 h LYS 121 N 0.76 0.64 -0.14 1.92 3.64 -1.00 -1.73 116.57 120.66 1n13 h LYS 121 Ca 0.16 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1n13 h LYS 121 Cb 0.44 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1n13 h LYS 121 CO 0.01 0.42 0.05 1.15 -2.27 0.00 0.00 179.45 178.82 1n13 h THR 122 N 0.66 1.17 -0.23 1.00 2.02 -0.89 -2.34 112.91 114.30 1n13 h THR 122 Ca 0.18 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1n13 h THR 122 Cb -0.07 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1n13 h THR 122 CO -0.04 0.16 -0.08 1.62 0.37 0.00 0.00 175.52 177.55 1n13 h VAL 123 N 0.05 1.19 -0.48 3.16 3.04 -1.05 -1.31 116.25 120.86 1n13 h VAL 123 Ca 0.05 -0.81 -0.14 0.00 -1.01 0.00 0.00 66.70 64.79 1n13 h VAL 123 Cb 0.21 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1n13 h VAL 123 CO -0.00 0.26 -0.23 0.03 -1.01 0.00 0.00 177.57 176.62 1n13 h ARG 124 N 0.35 1.00 -0.76 4.17 3.08 -1.22 -2.37 114.38 118.63 1n13 h ARG 124 Ca 0.07 -0.44 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 1n13 h ARG 124 Cb 0.37 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1n13 h ARG 124 CO 0.02 1.11 0.28 1.49 -1.07 0.00 0.00 179.97 181.80 1n13 h GLU 125 N 0.86 1.14 -0.56 0.04 4.57 -0.86 -1.59 114.58 118.18 1n13 h GLU 125 Ca 0.11 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1n13 h GLU 125 Cb 0.81 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1n13 h GLU 125 CO 0.07 0.94 0.16 0.52 -1.18 0.00 0.00 179.01 179.52 1n13 h MET 126 N 1.11 0.85 -0.34 1.92 2.86 -1.03 -0.44 114.93 119.86 1n13 h MET 126 Ca 0.25 -0.16 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1n13 h MET 126 Cb 0.24 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1n13 h MET 126 CO -0.02 0.75 -0.44 0.00 1.06 0.00 0.00 176.91 178.26 1n13 h ALA 127 N 1.35 0.58 -0.51 6.32 0.00 -1.01 -1.87 119.26 124.11 1n13 h ALA 127 Ca 0.19 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1n13 h ALA 127 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1n13 h ALA 127 CO -0.01 0.68 0.24 -0.22 0.00 0.00 0.00 179.25 179.94 1n13 h LYS 128 N 0.70 0.74 -0.88 0.00 3.64 -0.80 -2.48 116.57 117.49 1n13 h LYS 128 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1n13 h LYS 128 Cb 1.02 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1n13 h LYS 128 CO 0.10 0.62 0.53 0.82 -2.27 0.00 0.00 179.45 179.26 1n13 h ILE 129 N 0.68 1.24 -0.76 2.00 2.04 -0.97 -1.56 117.51 120.19 1n13 h ILE 129 Ca 0.17 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1n13 h ILE 129 Cb 0.13 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 1n13 h ILE 129 CO -0.02 0.25 0.50 1.23 0.00 0.00 0.00 178.15 180.12 1n13 h GLY 130 N 1.21 1.07 1.68 5.37 0.00 -0.93 0.43 103.07 111.89 1n13 h GLY 130 Ca 0.32 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 1n13 h GLY 130 CO -0.06 0.38 -0.80 0.74 0.00 0.00 0.00 176.54 176.81 1n13 h PHE 131 N 1.02 0.43 -0.53 5.60 -1.00 -1.00 -2.78 116.94 118.68 1n13 h PHE 131 Ca 0.28 -0.21 -0.10 0.00 2.81 0.00 0.00 57.97 60.75 1n13 h PHE 131 Cb -0.10 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.38 1n13 h PHE 131 CO -0.00 0.98 -0.07 0.93 -1.61 0.00 0.00 178.31 178.55 1n13 h GLU 132 N 0.19 0.95 -0.21 1.51 5.08 -0.56 0.16 114.58 121.70 1n13 h GLU 132 Ca -0.04 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1n13 h GLU 132 Cb 1.39 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1n13 h GLU 132 CO 0.13 0.98 -0.11 0.52 -1.00 0.00 0.00 179.01 179.53 1n13 h MET 133 N 0.86 0.34 0.00 2.33 2.86 -0.90 -1.97 114.93 118.45 1n13 h MET 133 Ca 0.15 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1n13 h MET 133 Cb 0.60 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1n13 h MET 133 CO 0.04 0.46 -0.43 0.00 1.06 0.00 0.00 176.91 178.04 1n13 h ARG 134 N 0.32 0.00 -2.22 1.72 3.08 -1.18 -3.48 114.38 112.63 1n13 h ARG 134 Ca 0.07 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 1n13 h ARG 134 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.46 1n13 h ARG 134 CO 0.02 0.00 -0.31 0.41 -1.07 0.00 0.00 179.97 179.02 1n13 n GLY 135 N 1.23 -0.02 3.86 0.04 0.00 0.44 -5.02 105.19 105.73 1n13 n GLY 135 Ca 0.03 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1n13 n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n13 s TRP 136 N -2.75 3.48 -0.06 1.61 0.51 -0.56 -5.03 118.94 116.14 1n13 s TRP 136 Ca 0.10 0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 54.12 1n13 s TRP 136 Cb -0.04 -1.82 -0.03 0.00 -0.81 0.00 0.00 33.47 30.76 1n13 s TRP 136 CO 0.12 0.63 1.24 -1.21 -0.51 0.00 0.00 176.95 177.23 1n13 s GLU 137 N -1.69 4.33 -0.10 4.98 2.02 -1.26 -4.64 118.70 122.34 1n13 s GLU 137 Ca 0.23 1.72 -0.23 0.00 0.02 0.00 0.00 54.97 56.71 1n13 s GLU 137 Cb -0.12 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 1n13 s GLU 137 CO 0.14 -0.50 0.72 -1.17 0.02 0.00 0.00 175.26 174.47 1n13 s LEU 138 N 2.41 4.27 -0.12 1.80 2.96 -1.26 -1.92 118.68 126.82 1n13 s LEU 138 Ca 0.57 1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.56 1n13 s LEU 138 Cb -0.25 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 1n13 s LEU 138 CO 0.22 -0.19 0.08 -0.78 -1.32 0.00 0.00 176.35 174.35 1n13 h ASP 139 N 6.97 0.00 -5.45 3.68 3.58 -0.94 -3.44 116.42 120.81 1n13 h ASP 139 Ca -0.37 -0.16 0.21 0.00 0.42 0.00 0.00 57.03 57.13 1n13 h ASP 139 Cb 1.18 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.15 1n13 h ASP 139 CO 0.77 0.66 0.59 0.00 -2.88 0.00 0.00 179.24 178.38 1n13 s ARG 140 N -1.80 1.06 -0.08 0.28 1.70 -1.16 -5.01 118.95 113.94 1n13 s ARG 140 Ca -0.06 -0.62 0.02 0.00 -0.47 0.00 0.00 55.73 54.59 1n13 s ARG 140 Cb 0.00 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1n13 s ARG 140 CO 0.16 -0.49 -0.12 0.42 -1.08 0.00 0.00 175.30 174.19 1n13 s ILE 141 N -2.75 1.20 -0.10 4.99 1.01 -1.26 -0.75 121.20 123.54 1n13 s ILE 141 Ca 0.16 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1n13 s ILE 141 Cb -0.01 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1n13 s ILE 141 CO 0.02 0.37 0.07 -1.61 0.00 0.00 0.00 174.94 173.80 1n13 s GLU 142 N 0.85 3.21 0.18 2.79 0.41 -0.29 -4.92 118.70 120.93 1n13 s GLU 142 Ca -0.11 -0.27 -0.11 0.00 -0.41 0.00 0.00 54.97 54.07 1n13 s GLU 142 Cb -0.15 -2.99 -0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1n13 s GLU 142 CO 0.01 0.74 0.35 -1.54 -0.49 0.00 0.00 175.26 174.33 1n13 s SER 143 N -0.98 -0.03 -0.03 -0.19 1.04 -1.26 0.17 113.70 112.42 1n13 s SER 143 Ca 0.14 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.55 1n13 s SER 143 Cb -0.12 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1n13 s SER 143 CO 0.03 -0.96 0.43 -0.51 0.98 0.00 0.00 173.24 173.21 1n13 s ILE 144 N -3.96 0.04 0.14 -1.02 2.07 -0.57 -5.01 121.20 112.88 1n13 s ILE 144 Ca 0.17 -0.31 -0.13 0.00 -1.41 0.00 0.00 60.65 58.97 1n13 s ILE 144 Cb 0.02 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.90 1n13 s ILE 144 CO 0.01 -0.17 0.35 0.00 -1.91 0.00 0.00 174.94 173.23 1n13 s ALA 145 N -1.19 -0.54 -0.06 1.50 0.00 -1.26 -1.22 121.76 119.00 1n13 s ALA 145 Ca -0.12 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1n13 s ALA 145 Cb -0.04 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1n13 s ALA 145 CO 0.06 -0.65 0.32 0.54 0.00 0.00 0.00 175.76 176.03 1n13 s VAL 146 N -3.87 0.04 0.10 0.00 0.11 -0.55 -5.01 120.40 111.22 1n13 s VAL 146 Ca 0.08 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1n13 s VAL 146 Cb 0.02 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1n13 s VAL 146 CO -0.07 -0.16 -0.19 -1.83 -3.33 0.00 0.00 175.10 169.52 1n13 s GLU 147 N -0.75 1.08 -0.01 1.54 -1.05 -1.26 -1.76 118.70 116.49 1n13 s GLU 147 Ca -0.08 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.59 1n13 s GLU 147 Cb -0.04 -1.28 0.01 0.00 -0.44 0.00 0.00 34.13 32.38 1n13 s GLU 147 CO 0.03 0.29 0.01 -1.58 0.95 0.00 0.00 175.26 174.96 1n13 s HIS 148 N -1.27 0.06 -0.39 4.83 2.46 0.11 -4.98 115.29 116.11 1n13 s HIS 148 Ca 0.06 0.04 -0.12 0.00 0.47 0.00 0.00 55.06 55.50 1n13 s HIS 148 Cb -0.10 -0.13 0.03 0.00 -0.13 0.00 0.00 32.58 32.26 1n13 s HIS 148 CO 0.04 -0.04 0.23 0.99 -2.47 0.00 0.00 174.74 173.49 1n13 s THR 149 N 0.41 4.72 0.17 0.89 2.01 -1.26 -0.59 115.64 122.00 1n13 s THR 149 Ca -0.04 -0.85 -0.32 0.00 0.31 0.00 0.00 61.69 60.80 1n13 s THR 149 Cb -0.05 -3.65 -0.12 0.00 0.01 0.00 0.00 72.50 68.69 1n13 s THR 149 CO -0.01 -0.27 1.74 0.52 -0.69 0.00 0.00 174.62 175.91 1n13 n VAL 150 N 5.03 0.13 -0.10 3.82 0.31 -0.04 -4.88 118.33 122.60 1n13 n VAL 150 Ca -0.12 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.02 1n13 n VAL 150 Cb 0.46 -1.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.36 1n13 n VAL 150 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n13 n GLU 151 N 4.46 0.54 0.00 5.55 1.02 -1.26 -0.21 120.64 130.73 1n13 n GLU 151 Ca 0.17 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1n13 n GLU 151 Cb 0.35 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1n13 n GLU 151 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n13 n LYS 152 N -4.43 0.00 -3.37 3.49 3.00 -1.26 -4.43 118.16 111.16 1n13 n LYS 152 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.00 1n13 n LYS 152 Cb 0.61 -0.20 -0.05 0.00 0.00 0.00 0.00 35.03 35.39 1n13 n LYS 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1n13 s LEU 153 N -5.38 -1.02 0.28 3.14 0.20 -1.26 -4.32 118.68 110.31 1n13 s LEU 153 Ca 0.00 0.83 0.04 0.00 0.69 0.00 0.00 54.13 55.69 1n13 s LEU 153 Cb 0.00 1.77 -0.06 0.00 -0.43 0.00 0.00 46.19 47.47 1n13 s LEU 153 CO 0.00 -0.26 0.01 -0.83 -0.29 0.00 0.00 176.35 174.98 1n13 s GLY 154 N 2.74 1.82 -0.03 7.98 0.00 -0.29 -4.99 107.32 114.55 1n13 s GLY 154 Ca 0.11 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.90 1n13 s GLY 154 CO -0.18 -1.76 0.07 0.00 0.00 0.00 0.00 173.10 171.23 1n13 s ALA 156 N 0.78 3.05 -0.05 0.00 0.00 -0.57 -4.95 121.76 120.02 1n13 s ALA 156 Ca -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1n13 s ALA 156 Cb -0.09 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1n13 s ALA 156 CO -0.03 0.45 0.13 0.12 0.00 0.00 0.00 175.76 176.44 1n13 s PHE 157 N -0.43 -0.15 -0.00 0.00 5.36 -1.26 -1.79 117.98 119.71 1n13 s PHE 157 Ca 0.07 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 1n13 s PHE 157 Cb -0.12 0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 1n13 s PHE 157 CO 0.02 -0.10 -0.01 0.00 -1.46 0.00 0.00 175.22 173.67 1n13 s ALA 158 N 0.44 0.10 0.10 11.12 0.00 -0.65 -4.83 121.76 128.04 1n13 s ALA 158 Ca -0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 1n13 s ALA 158 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1n13 s ALA 158 CO -0.02 0.01 0.22 0.00 0.00 0.00 0.00 175.76 175.97 1n13 s ALA 159 N 0.12 -0.24 -0.27 0.00 0.00 -1.26 -1.18 121.76 118.92 1n13 s ALA 159 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1n13 s ALA 159 Cb -0.02 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.74 1n13 s ALA 159 CO -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 175.76 175.19 1n13 s ALA 160 N -3.87 2.28 -0.19 0.00 0.00 0.39 -4.97 121.76 115.39 1n13 s ALA 160 Ca 0.07 -1.78 -0.15 0.00 0.00 0.00 0.00 51.96 50.10 1n13 s ALA 160 Cb 0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1n13 s ALA 160 CO -0.09 -1.37 0.37 0.00 0.00 0.00 0.00 175.76 174.66 1n13 s ALA 161 N 1.23 3.56 -0.08 0.00 0.00 -1.26 -1.45 121.76 123.76 1n13 s ALA 161 Ca -0.01 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 1n13 s ALA 161 Cb -0.19 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1n13 s ALA 161 CO -0.09 -0.21 0.44 -0.51 0.00 0.00 0.00 175.76 175.40 1n13 s LEU 162 N 1.11 4.35 0.00 0.00 1.43 -0.17 -5.03 118.68 120.37 1n13 s LEU 162 Ca 0.18 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 1n13 s LEU 162 Cb -0.14 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1n13 s LEU 162 CO 0.07 0.12 0.00 1.87 0.23 0.00 0.00 176.35 178.64 1n13 n TRP 163 N 3.01 -0.10 -4.31 0.29 -0.00 -1.26 -4.10 117.44 110.97 1n13 n TRP 163 Ca -0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.20 1n13 n TRP 163 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.72 1n13 n TRP 163 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1n13 s TYR 164 N -2.52 1.68 0.00 5.87 2.02 -1.26 -5.10 117.35 118.04 1n13 s TYR 164 Ca 0.00 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1n13 s TYR 164 Cb 0.00 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.72 1n13 s TYR 164 CO 0.00 0.27 0.00 0.36 -1.57 0.00 0.00 175.55 174.61