#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqc s MET 55 N 0.00 4.21 0.60 0.38 -2.45 0.17 -4.92 119.30 117.29 2qqc s MET 55 Ca 0.00 0.93 -0.20 0.00 -1.25 0.00 0.00 55.69 55.17 2qqc s MET 55 Cb 0.00 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.42 2qqc s MET 55 CO 0.00 -0.45 1.25 -2.30 1.05 0.00 0.00 175.02 174.57 2qqc n PRO 56 N 5.74 1.30 -1.72 4.11 -0.02 -1.26 -1.10 135.00 142.05 2qqc n PRO 56 Ca 0.05 0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 61.63 2qqc n PRO 56 Cb 0.48 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2qqc n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2qqc n PRO 57 N -1.34 1.65 -0.82 0.52 -0.02 -1.26 -1.84 135.00 131.89 2qqc n PRO 57 Ca 0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2qqc n PRO 57 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2qqc n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qqc n GLU 58 N -0.75 -0.28 -2.48 -0.52 -0.58 -1.23 -4.97 120.64 109.83 2qqc n GLU 58 Ca 0.10 0.07 -0.37 0.00 -0.42 0.00 0.00 57.16 56.54 2qqc n GLU 58 Cb 0.44 -3.65 -0.03 0.00 -0.57 0.00 0.00 31.44 27.62 2qqc n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qqc s ALA 59 N -2.21 3.10 -0.07 0.62 0.00 -0.77 -5.04 121.76 117.40 2qqc s ALA 59 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2qqc s ALA 59 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2qqc s ALA 59 CO 0.00 -0.29 -0.01 -2.00 0.00 0.00 0.00 175.76 173.46 2qqc s GLU 60 N -2.42 2.91 -0.22 0.00 2.12 -1.26 -5.00 118.70 114.83 2qqc s GLU 60 Ca 0.57 -0.46 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 2qqc s GLU 60 Cb -0.24 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.41 2qqc s GLU 60 CO 0.30 0.69 0.98 0.42 -0.54 0.00 0.00 175.26 177.11 2qqc s ILE 61 N -0.89 4.73 0.15 -3.70 1.01 -1.26 -5.01 121.20 116.24 2qqc s ILE 61 Ca 0.14 1.90 0.01 0.00 0.00 0.00 0.00 60.65 62.69 2qqc s ILE 61 Cb -0.11 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2qqc s ILE 61 CO 0.03 -0.13 0.01 0.68 0.00 0.00 0.00 174.94 175.53 2qqc s VAL 62 N 3.00 0.49 0.56 2.92 -7.23 -1.26 -5.14 120.40 113.74 2qqc s VAL 62 Ca 0.42 -1.95 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 2qqc s VAL 62 Cb -0.15 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2qqc s VAL 62 CO 0.07 -0.52 1.26 -2.84 -0.31 0.00 0.00 175.10 172.76 2qqc s PRO 63 N -3.95 3.15 -0.07 4.82 0.02 -1.26 -4.85 135.00 132.86 2qqc s PRO 63 Ca 0.22 1.97 -0.37 0.00 0.02 0.00 0.00 61.00 62.84 2qqc s PRO 63 Cb 0.07 -2.12 -0.15 0.00 0.02 0.00 0.00 34.50 32.31 2qqc s PRO 63 CO 0.02 -1.10 1.65 -0.11 -0.33 0.00 0.00 177.00 177.13 2qqc n LEU 64 N -1.21 2.56 -4.71 -5.54 7.94 -1.26 -4.94 117.00 109.84 2qqc n LEU 64 Ca 0.11 1.06 -0.30 0.00 -1.11 0.00 0.00 56.01 55.78 2qqc n LEU 64 Cb 0.48 -1.25 0.21 0.00 0.53 0.00 0.00 43.42 43.38 2qqc n LEU 64 CO 0.48 -0.48 0.70 -2.84 -1.11 0.00 0.00 177.39 174.14 2qqc s PRO 65 N 2.48 -0.32 -0.60 1.96 0.02 -1.26 -4.96 135.00 132.32 2qqc s PRO 65 Ca 0.90 -0.06 -0.26 0.00 0.02 0.00 0.00 61.00 61.61 2qqc s PRO 65 Cb -0.89 -1.70 0.04 0.00 0.02 0.00 0.00 34.50 31.97 2qqc s PRO 65 CO 0.53 -3.11 1.08 0.21 -0.33 0.00 0.00 177.00 175.38 2qqc s LYS 66 N -5.47 3.34 -0.10 5.54 2.20 -1.26 -5.00 119.74 118.98 2qqc s LYS 66 Ca 0.70 -0.16 -0.17 0.00 -0.36 0.00 0.00 55.97 55.99 2qqc s LYS 66 Cb -0.10 -4.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 2qqc s LYS 66 CO 0.55 -1.69 0.43 -0.51 -0.36 0.00 0.00 175.35 173.77 2qqc s LEU 67 N 4.56 4.31 0.38 5.43 1.43 -1.26 -5.05 118.68 128.49 2qqc s LEU 67 Ca 0.34 0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 53.96 2qqc s LEU 67 Cb -0.11 -2.62 -0.10 0.00 0.03 0.00 0.00 46.19 43.39 2qqc s LEU 67 CO 0.20 0.08 1.42 -2.84 0.23 0.00 0.00 176.35 175.43 2qqc s PRO 68 N 0.26 4.07 0.24 1.29 0.02 -1.26 -4.90 135.00 134.73 2qqc s PRO 68 Ca 0.24 2.43 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 2qqc s PRO 68 Cb -0.15 -2.91 -0.11 0.00 0.02 0.00 0.00 34.50 31.35 2qqc s PRO 68 CO 0.10 -0.50 1.57 -1.64 -0.33 0.00 0.00 177.00 176.19 2qqc s MET 69 N -2.11 4.18 0.00 5.54 -1.94 -1.26 -1.86 119.30 121.85 2qqc s MET 69 Ca 0.54 2.47 0.00 0.00 -1.71 0.00 0.00 55.69 56.99 2qqc s MET 69 Cb -0.44 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.33 2qqc s MET 69 CO 0.58 -0.59 0.00 0.41 -0.01 0.00 0.00 175.02 175.41 2qqc n GLY 70 N 2.75 1.16 3.67 -0.03 0.00 -1.26 -5.02 105.19 106.45 2qqc n GLY 70 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2qqc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqc n ALA 71 N -0.37 0.85 -2.84 4.61 0.00 -0.78 -4.90 120.51 117.09 2qqc n ALA 71 Ca 0.00 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 2qqc n ALA 71 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 2qqc n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qqc s LEU 72 N -1.57 4.54 -0.33 0.00 1.43 -1.26 -5.01 118.68 116.48 2qqc s LEU 72 Ca 0.65 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2qqc s LEU 72 Cb -0.50 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2qqc s LEU 72 CO 0.55 -1.28 0.17 -0.69 0.23 0.00 0.00 176.35 175.33 2qqc s VAL 73 N 3.67 4.59 -0.04 -1.59 1.01 -1.26 -5.05 120.40 121.73 2qqc s VAL 73 Ca 0.21 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2qqc s VAL 73 Cb -0.17 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 2qqc s VAL 73 CO 0.12 -0.02 1.79 -2.84 0.00 0.00 0.00 175.10 174.14 2qqc s PRO 74 N 1.60 4.08 -0.01 2.72 0.02 -1.26 -4.90 135.00 137.24 2qqc s PRO 74 Ca 0.04 2.28 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2qqc s PRO 74 Cb -0.18 -4.07 0.01 0.00 0.02 0.00 0.00 34.50 30.28 2qqc s PRO 74 CO 0.06 -0.99 -0.01 0.99 -0.33 0.00 0.00 177.00 176.73 2qqc s THR 75 N 4.51 0.14 -0.20 0.99 2.01 -1.26 -1.13 115.64 120.69 2qqc s THR 75 Ca 0.80 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 2qqc s THR 75 Cb -0.36 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 2qqc s THR 75 CO 0.34 0.07 0.10 0.00 -0.69 0.00 0.00 174.62 174.45 2qqc s ALA 76 N 0.33 3.53 0.15 7.40 0.00 -0.59 -4.95 121.76 127.63 2qqc s ALA 76 Ca -0.03 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2qqc s ALA 76 Cb -0.05 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 21.00 2qqc s ALA 76 CO -0.01 0.07 0.39 1.52 0.00 0.00 0.00 175.76 177.73 2qqc s TYR 77 N 0.55 0.01 0.05 0.00 -0.85 -1.26 0.07 117.35 115.92 2qqc s TYR 77 Ca 0.06 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 56.29 2qqc s TYR 77 Cb -0.12 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.39 2qqc s TYR 77 CO 0.00 -0.76 -0.14 0.20 -1.52 0.00 0.00 175.55 173.34 2qqc s GLY 78 N -2.87 0.79 0.16 5.49 0.00 0.07 -4.95 107.32 106.01 2qqc s GLY 78 Ca 0.09 -0.87 -0.21 0.00 0.00 0.00 0.00 44.72 43.73 2qqc s GLY 78 CO -0.06 -0.87 0.55 -2.52 0.00 0.00 0.00 173.10 170.20 2qqc s TYR 79 N -1.00 -0.41 -0.13 1.90 -0.85 -1.26 -1.46 117.35 114.14 2qqc s TYR 79 Ca -0.00 0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.56 2qqc s TYR 79 Cb -0.09 0.47 0.04 0.00 0.38 0.00 0.00 41.96 42.76 2qqc s TYR 79 CO 0.02 -0.83 0.38 -1.50 -1.52 0.00 0.00 175.55 172.09 2qqc s ILE 80 N -3.78 0.01 -0.02 -3.49 2.07 -0.72 -4.87 121.20 110.39 2qqc s ILE 80 Ca 0.03 -0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.26 2qqc s ILE 80 Cb -0.00 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 2qqc s ILE 80 CO -0.11 -0.03 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.11 2qqc s ILE 81 N 0.04 1.26 -0.06 2.00 1.01 -1.26 -1.37 121.20 122.81 2qqc s ILE 81 Ca -0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 2qqc s ILE 81 Cb -0.03 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.41 2qqc s ILE 81 CO 0.01 0.36 0.24 -0.55 0.00 0.00 0.00 174.94 175.00 2qqc s SER 82 N -0.27 -0.19 0.00 3.58 0.15 -0.68 -5.01 113.70 111.27 2qqc s SER 82 Ca 0.04 0.26 0.11 0.00 0.70 0.00 0.00 55.95 57.06 2qqc s SER 82 Cb -0.07 0.41 0.23 0.00 -1.71 0.00 0.00 66.02 64.88 2qqc s SER 82 CO -0.00 -0.23 1.13 -0.90 1.20 0.00 0.00 173.24 174.43 2qqc n ASP 83 N 2.24 2.60 -4.55 5.45 5.68 -1.26 -1.44 116.55 125.27 2qqc n ASP 83 Ca -0.17 -1.83 -0.42 0.00 -0.50 0.00 0.00 54.79 51.87 2qqc n ASP 83 Cb 0.57 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.36 2qqc n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2qqc s VAL 84 N -0.97 3.94 0.36 2.12 1.01 -1.26 -4.73 120.40 120.86 2qqc s VAL 84 Ca 0.20 0.48 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 2qqc s VAL 84 Cb 0.11 -4.80 -0.12 0.00 0.00 0.00 0.00 36.38 31.57 2qqc s VAL 84 CO 0.15 -1.59 1.00 -2.65 0.00 0.00 0.00 175.10 172.01 2qqc n PRO 85 N 8.74 1.37 0.00 2.72 -0.02 -1.26 -1.79 135.00 144.76 2qqc n PRO 85 Ca 0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2qqc n PRO 85 Cb 0.48 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2qqc n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqc n GLY 86 N 1.20 2.97 3.75 -1.23 0.00 0.21 -4.96 105.19 107.13 2qqc n GLY 86 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2qqc n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qqc s GLU 87 N 0.00 4.38 -0.19 1.61 2.12 -0.74 -4.64 118.70 121.23 2qqc s GLU 87 Ca 0.00 2.13 -0.12 0.00 0.36 0.00 0.00 54.97 57.34 2qqc s GLU 87 Cb 0.00 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 2qqc s GLU 87 CO 0.00 -0.21 0.22 0.99 -0.54 0.00 0.00 175.26 175.71 2qqc s THR 88 N -0.47 5.34 0.00 -1.70 2.01 -1.26 -0.53 115.64 119.04 2qqc s THR 88 Ca 0.53 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.94 2qqc s THR 88 Cb -0.38 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2qqc s THR 88 CO 0.45 0.39 -0.14 0.27 -0.69 0.00 0.00 174.62 174.89 2qqc s ILE 89 N 0.62 1.08 0.12 1.82 -4.36 0.26 -3.22 121.20 117.51 2qqc s ILE 89 Ca 0.12 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.86 2qqc s ILE 89 Cb -0.12 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 2qqc s ILE 89 CO 0.02 0.24 -0.08 -0.44 0.24 0.00 0.00 174.94 174.92 2qqc s SER 90 N -0.50 1.40 0.01 4.36 0.01 -0.27 0.52 113.70 119.23 2qqc s SER 90 Ca 0.04 -0.99 -0.00 0.00 1.31 0.00 0.00 55.95 56.31 2qqc s SER 90 Cb -0.06 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 2qqc s SER 90 CO -0.00 -0.40 -0.01 0.00 0.41 0.00 0.00 173.24 173.24 2qqc s ALA 91 N -3.43 0.04 0.04 1.44 0.00 -0.65 -1.12 121.76 118.07 2qqc s ALA 91 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 2qqc s ALA 91 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2qqc s ALA 91 CO -0.02 -0.09 0.19 0.00 0.00 0.00 0.00 175.76 175.83 2qqc s ALA 92 N -0.82 -0.35 -0.00 0.00 0.00 0.27 -1.67 121.76 119.19 2qqc s ALA 92 Ca -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2qqc s ALA 92 Cb -0.06 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 2qqc s ALA 92 CO -0.00 -0.35 -0.05 0.42 0.00 0.00 0.00 175.76 175.77 2qqc s ILE 93 N -2.50 0.43 0.05 0.00 -1.09 -0.06 -0.91 121.20 117.12 2qqc s ILE 93 Ca -0.06 -0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 2qqc s ILE 93 Cb -0.01 -0.37 -0.03 0.00 -1.58 0.00 0.00 42.46 40.47 2qqc s ILE 93 CO -0.04 0.12 -0.08 -0.94 -1.23 0.00 0.00 174.94 172.78 2qqc s SER 94 N -0.12 0.94 -0.18 3.58 1.04 -0.44 -1.09 113.70 117.44 2qqc s SER 94 Ca 0.02 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 2qqc s SER 94 Cb -0.02 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.19 2qqc s SER 94 CO -0.00 -0.22 0.01 -0.69 0.98 0.00 0.00 173.24 173.32 2qqc s VAL 95 N -1.55 0.72 -0.19 5.02 1.01 0.15 -0.61 120.40 124.95 2qqc s VAL 95 Ca -0.08 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 2qqc s VAL 95 Cb -0.09 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2qqc s VAL 95 CO 0.00 -0.09 0.73 0.00 0.00 0.00 0.00 175.10 175.74 2qqc s ALA 96 N 1.78 3.54 -0.17 5.51 0.00 0.12 -1.11 121.76 131.43 2qqc s ALA 96 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 2qqc s ALA 96 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2qqc s ALA 96 CO -0.07 -0.63 0.08 0.42 0.00 0.00 0.00 175.76 175.56 2qqc s ILE 97 N 2.09 4.95 0.57 0.00 1.01 0.04 -1.20 121.20 128.66 2qqc s ILE 97 Ca 0.33 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.87 2qqc s ILE 97 Cb -0.16 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 2qqc s ILE 97 CO 0.11 0.49 1.00 -2.16 0.00 0.00 0.00 174.94 174.37 2qqc s PRO 98 N 0.10 3.74 0.10 2.79 0.04 -1.26 0.21 135.00 140.72 2qqc s PRO 98 Ca 0.06 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 2qqc s PRO 98 Cb -0.12 -2.12 -0.17 0.00 0.04 0.00 0.00 34.50 32.13 2qqc s PRO 98 CO 0.00 -0.42 1.24 0.87 0.04 0.00 0.00 177.00 178.73 2qqc h LYS 99 N 0.24 0.47 -6.20 4.56 1.57 -1.62 -3.40 116.57 112.20 2qqc h LYS 99 Ca -0.45 -0.55 -0.58 0.00 -1.87 0.00 0.00 60.65 57.19 2qqc h LYS 99 Cb 1.19 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 33.57 2qqc h LYS 99 CO 0.62 1.20 0.76 0.34 -0.57 0.00 0.00 179.45 181.79 2qqc s ASP 100 N -7.18 6.39 0.00 0.86 -1.08 -1.26 -4.90 116.67 109.51 2qqc s ASP 100 Ca -0.07 -0.13 0.13 0.00 -0.52 0.00 0.00 52.55 51.96 2qqc s ASP 100 Cb 0.08 -2.49 0.68 0.00 -1.46 0.00 0.00 42.92 39.73 2qqc s ASP 100 CO 0.89 -1.34 1.26 0.29 0.52 0.00 0.00 175.17 176.78 2qqc n LYS 101 N 7.92 0.27 0.12 4.34 4.76 -1.26 -1.65 118.16 132.66 2qqc n LYS 101 Ca 0.05 0.10 0.12 0.00 -2.87 0.00 0.00 58.31 55.71 2qqc n LYS 101 Cb 0.48 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.30 2qqc n LYS 101 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qqc h SER 102 N 0.00 0.00 -3.69 4.39 4.64 -1.95 -3.24 113.55 113.70 2qqc h SER 102 Ca 0.00 -0.06 -0.47 0.00 -0.47 0.00 0.00 61.79 60.79 2qqc h SER 102 Cb 0.07 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.22 2qqc h SER 102 CO 0.00 0.03 0.20 -0.76 -0.87 0.00 0.00 176.83 175.43 2qqc s LEU 103 N -5.13 3.05 0.53 5.97 1.43 -0.66 -4.78 118.68 119.08 2qqc s LEU 103 Ca 0.04 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2qqc s LEU 103 Cb 0.10 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 43.01 2qqc s LEU 103 CO 0.72 -1.30 0.73 0.00 0.23 0.00 0.00 176.35 176.74 2qqc s GLY 105 N -4.43 1.48 -0.13 0.00 0.00 -0.26 -4.46 107.32 99.52 2qqc s GLY 105 Ca 0.57 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2qqc s GLY 105 CO 0.37 -1.18 -0.09 -2.27 0.00 0.00 0.00 173.10 169.93 2qqc s LEU 106 N -3.58 2.97 -0.18 0.66 2.96 -0.34 -0.65 118.68 120.52 2qqc s LEU 106 Ca 0.34 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2qqc s LEU 106 Cb -0.10 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2qqc s LEU 106 CO 0.28 0.20 0.00 -0.63 -1.32 0.00 0.00 176.35 174.88 2qqc s ILE 107 N 0.18 4.10 0.14 6.68 1.01 -1.26 0.13 121.20 132.18 2qqc s ILE 107 Ca -0.05 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.44 2qqc s ILE 107 Cb -0.14 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2qqc s ILE 107 CO 0.04 0.45 -0.24 -0.04 0.00 0.00 0.00 174.94 175.15 2qqc s MET 108 N 0.71 1.53 0.04 2.79 -1.94 0.22 -4.77 119.30 117.88 2qqc s MET 108 Ca 0.00 -1.34 0.04 0.00 -1.71 0.00 0.00 55.69 52.68 2qqc s MET 108 Cb -0.14 -1.95 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2qqc s MET 108 CO 0.02 0.45 -0.13 1.14 -0.01 0.00 0.00 175.02 176.49 2qqc s GLN 109 N -2.21 0.81 -0.05 2.03 -2.07 -1.26 -1.32 119.66 115.58 2qqc s GLN 109 Ca 0.16 -0.77 -0.14 0.00 -1.82 0.00 0.00 55.36 52.80 2qqc s GLN 109 Cb -0.10 -0.78 0.03 0.00 -1.09 0.00 0.00 33.01 31.07 2qqc s GLN 109 CO 0.08 0.19 0.32 -0.47 -1.32 0.00 0.00 175.29 174.08 2qqc s TYR 110 N -0.98 -0.25 -0.05 9.60 5.04 -0.09 -4.98 117.35 125.64 2qqc s TYR 110 Ca -0.01 0.50 -0.16 0.00 -2.44 0.00 0.00 57.07 54.95 2qqc s TYR 110 Cb -0.08 0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.37 2qqc s TYR 110 CO 0.01 -0.31 0.37 -1.83 -1.34 0.00 0.00 175.55 172.45 2qqc s GLU 111 N -0.79 0.66 -0.02 4.97 1.03 -1.26 0.94 118.70 124.24 2qqc s GLU 111 Ca -0.09 0.05 -0.29 0.00 0.03 0.00 0.00 54.97 54.67 2qqc s GLU 111 Cb -0.04 0.30 0.10 0.00 -0.80 0.00 0.00 34.13 33.69 2qqc s GLU 111 CO 0.03 -0.17 1.29 0.20 -1.33 0.00 0.00 175.26 175.28 2qqc s GLY 112 N -0.92 -0.20 -1.26 -3.83 0.00 -0.28 -4.99 107.32 95.84 2qqc s GLY 112 Ca -0.10 0.22 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 2qqc s GLY 112 CO 0.04 4.09 1.81 0.28 0.00 0.00 0.00 173.10 179.32 2qqc n LYS 113 N -0.79 3.68 -2.96 2.90 5.02 -1.26 -1.11 118.16 123.64 2qqc n LYS 113 Ca 0.00 -3.64 -0.08 0.00 -2.02 0.00 0.00 58.31 52.57 2qqc n LYS 113 Cb 0.60 -2.89 -0.02 0.00 -0.02 0.00 0.00 35.03 32.70 2qqc n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qqc s SER 115 N -2.24 4.88 0.20 0.00 1.04 -1.26 -3.47 113.70 112.84 2qqc s SER 115 Ca 0.17 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 57.11 2qqc s SER 115 Cb -0.00 -1.29 0.12 0.00 0.10 0.00 0.00 66.02 64.95 2qqc s SER 115 CO 0.12 -1.59 1.84 0.50 0.98 0.00 0.00 173.24 175.09 2qqc h LYS 116 N -0.67 0.92 0.12 4.02 3.64 -1.92 -1.59 116.57 121.09 2qqc h LYS 116 Ca -0.45 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2qqc h LYS 116 Cb 1.31 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 2qqc h LYS 116 CO 0.62 0.65 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.92 2qqc h LYS 117 N 0.93 -0.51 -0.69 1.90 3.64 -1.97 -0.58 116.57 119.30 2qqc h LYS 117 Ca 0.25 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2qqc h LYS 117 Cb -0.05 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2qqc h LYS 117 CO -0.05 -0.34 0.25 1.49 -2.27 0.00 0.00 179.45 178.54 2qqc h GLU 118 N -0.53 1.03 0.21 1.90 4.81 -1.92 -1.83 114.58 118.25 2qqc h GLU 118 Ca 0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2qqc h GLU 118 Cb 0.56 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2qqc h GLU 118 CO -0.18 0.85 -0.10 0.00 -0.73 0.00 0.00 179.01 178.85 2qqc h ALA 119 N 1.28 -0.28 -0.76 2.92 0.00 -0.87 -1.26 119.26 120.29 2qqc h ALA 119 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2qqc h ALA 119 Cb 0.22 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2qqc h ALA 119 CO -0.02 -0.65 0.35 1.49 0.00 0.00 0.00 179.25 180.42 2qqc h GLU 120 N -0.30 1.09 -0.20 0.00 4.81 -0.99 -1.67 114.58 117.33 2qqc h GLU 120 Ca -0.03 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2qqc h GLU 120 Cb 0.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2qqc h GLU 120 CO 0.05 0.85 0.10 -0.22 -0.73 0.00 0.00 179.01 179.05 2qqc h LYS 121 N 1.08 0.20 -0.19 1.92 3.64 -1.11 -1.06 116.57 121.05 2qqc h LYS 121 Ca 0.26 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2qqc h LYS 121 Cb 0.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2qqc h LYS 121 CO -0.03 0.13 0.09 1.15 -2.27 0.00 0.00 179.45 178.52 2qqc h THR 122 N 0.21 1.13 -0.03 1.00 2.02 -0.88 -1.75 112.91 114.60 2qqc h THR 122 Ca 0.08 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 2qqc h THR 122 Cb 0.02 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2qqc h THR 122 CO -0.06 0.12 -0.37 1.62 0.37 0.00 0.00 175.52 177.20 2qqc h VAL 123 N 0.18 1.28 -0.38 3.16 3.04 -1.21 -0.34 116.25 121.97 2qqc h VAL 123 Ca 0.07 -1.33 -0.15 0.00 -1.01 0.00 0.00 66.70 64.27 2qqc h VAL 123 Cb 0.11 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2qqc h VAL 123 CO -0.01 0.39 -0.36 0.03 -1.01 0.00 0.00 177.57 176.61 2qqc h ARG 124 N 0.06 0.91 -0.74 4.17 3.08 -1.03 -2.62 114.38 118.21 2qqc h ARG 124 Ca 0.00 -0.47 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 2qqc h ARG 124 Cb 0.69 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 2qqc h ARG 124 CO 0.05 1.13 0.24 1.49 -1.07 0.00 0.00 179.97 181.80 2qqc h GLU 125 N 0.73 1.15 -0.99 0.04 4.57 -0.82 -2.25 114.58 117.00 2qqc h GLU 125 Ca 0.06 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2qqc h GLU 125 Cb 0.95 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.32 2qqc h GLU 125 CO 0.09 0.97 0.66 0.52 -1.18 0.00 0.00 179.01 180.07 2qqc h MET 126 N 1.10 1.28 -0.42 1.92 2.86 -0.92 -1.08 114.93 119.68 2qqc h MET 126 Ca 0.24 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 2qqc h MET 126 Cb 0.30 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2qqc h MET 126 CO -0.01 0.85 -0.19 0.00 1.06 0.00 0.00 176.91 178.62 2qqc h ALA 127 N 1.39 0.59 -0.42 6.32 0.00 -1.15 -1.43 119.26 124.55 2qqc h ALA 127 Ca 0.37 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qqc h ALA 127 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2qqc h ALA 127 CO -0.09 0.54 0.22 -0.22 0.00 0.00 0.00 179.25 179.70 2qqc h LYS 128 N 0.69 0.43 -0.74 0.00 3.64 -0.92 -1.85 116.57 117.82 2qqc h LYS 128 Ca 0.09 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2qqc h LYS 128 Cb 0.75 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2qqc h LYS 128 CO 0.06 0.29 0.44 0.82 -2.27 0.00 0.00 179.45 178.79 2qqc h ILE 129 N 0.45 1.21 -0.93 2.00 2.04 -1.08 -1.06 117.51 120.15 2qqc h ILE 129 Ca 0.18 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.60 2qqc h ILE 129 Cb 0.07 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 2qqc h ILE 129 CO -0.11 0.22 0.61 1.23 0.00 0.00 0.00 178.15 180.10 2qqc h GLY 130 N 1.02 1.33 1.59 5.37 0.00 -0.58 0.15 103.07 111.95 2qqc h GLY 130 Ca 0.27 -0.46 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 2qqc h GLY 130 CO -0.05 0.40 -0.74 0.74 0.00 0.00 0.00 176.54 176.89 2qqc h PHE 131 N 1.17 0.55 -0.67 5.60 -1.00 -0.93 -2.81 116.94 118.84 2qqc h PHE 131 Ca 0.37 -0.25 -0.07 0.00 2.81 0.00 0.00 57.97 60.83 2qqc h PHE 131 Cb 0.01 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 2qqc h PHE 131 CO -0.00 1.01 0.16 0.93 -1.61 0.00 0.00 178.31 178.79 2qqc h GLU 132 N 0.27 1.08 -0.11 1.51 5.08 -0.35 0.33 114.58 122.39 2qqc h GLU 132 Ca -0.03 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2qqc h GLU 132 Cb 1.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2qqc h GLU 132 CO 0.13 0.97 -0.07 0.52 -1.00 0.00 0.00 179.01 179.55 2qqc h MET 133 N 1.01 0.15 -0.00 2.33 2.86 -0.63 -1.52 114.93 119.13 2qqc h MET 133 Ca 0.21 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2qqc h MET 133 Cb 0.38 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2qqc h MET 133 CO 0.00 0.24 -0.57 0.54 1.06 0.00 0.00 176.91 178.19 2qqc n ARG 134 N -4.37 0.03 -2.29 1.72 1.74 -0.97 -4.95 116.66 107.57 2qqc n ARG 134 Ca -0.01 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 2qqc n ARG 134 Cb 0.20 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2qqc n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqc n GLY 135 N 1.50 -0.10 3.87 -0.13 0.00 -0.04 -5.01 105.19 105.28 2qqc n GLY 135 Ca 0.05 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 2qqc n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qqc s TRP 136 N -2.63 3.62 -0.02 1.61 0.51 -0.34 -5.02 118.94 116.67 2qqc s TRP 136 Ca 0.03 0.66 -0.30 0.00 -2.12 0.00 0.00 56.10 54.36 2qqc s TRP 136 Cb -0.01 -2.04 -0.05 0.00 -0.81 0.00 0.00 33.47 30.56 2qqc s TRP 136 CO 0.03 0.66 1.33 -1.21 -0.51 0.00 0.00 176.95 177.26 2qqc s GLU 137 N -1.35 4.31 -0.18 4.98 2.02 -1.26 -4.62 118.70 122.60 2qqc s GLU 137 Ca 0.22 1.87 -0.23 0.00 0.02 0.00 0.00 54.97 56.85 2qqc s GLU 137 Cb -0.14 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 2qqc s GLU 137 CO 0.11 -0.53 0.72 -1.17 0.02 0.00 0.00 175.26 174.42 2qqc s LEU 138 N 2.30 4.16 -0.07 1.80 2.96 -1.26 -1.76 118.68 126.80 2qqc s LEU 138 Ca 0.61 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 55.49 2qqc s LEU 138 Cb -0.29 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2qqc s LEU 138 CO 0.25 -0.32 0.11 -0.78 -1.32 0.00 0.00 176.35 174.28 2qqc h ASP 139 N 7.39 -0.07 -4.81 3.68 3.58 -0.44 -3.43 116.42 122.33 2qqc h ASP 139 Ca -0.31 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.32 2qqc h ASP 139 Cb 1.14 0.02 -0.14 0.00 1.72 0.00 0.00 39.33 42.06 2qqc h ASP 139 CO 0.80 0.33 0.60 0.00 -2.88 0.00 0.00 179.24 178.09 2qqc s ARG 140 N -1.75 0.73 -0.13 0.28 1.70 -1.08 -4.98 118.95 113.72 2qqc s ARG 140 Ca -0.01 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 54.92 2qqc s ARG 140 Cb 0.00 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 2qqc s ARG 140 CO 0.04 -0.33 -0.11 0.42 -1.08 0.00 0.00 175.30 174.24 2qqc s ILE 141 N -2.92 3.21 -0.11 4.99 1.01 -1.26 -0.78 121.20 125.33 2qqc s ILE 141 Ca 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 2qqc s ILE 141 Cb -0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2qqc s ILE 141 CO -0.05 0.52 -0.00 -0.70 0.00 0.00 0.00 174.94 174.70 2qqc s GLU 142 N 0.34 3.25 0.19 2.79 2.56 -0.27 -4.94 118.70 122.63 2qqc s GLU 142 Ca -0.10 -0.43 -0.10 0.00 0.00 0.00 0.00 54.97 54.34 2qqc s GLU 142 Cb -0.16 -2.86 -0.00 0.00 2.00 0.00 0.00 34.13 33.11 2qqc s GLU 142 CO 0.05 0.54 0.34 -1.54 -0.56 0.00 0.00 175.26 174.10 2qqc s SER 143 N -0.45 -0.02 -0.01 -1.70 1.04 -1.26 0.34 113.70 111.65 2qqc s SER 143 Ca 0.08 -0.86 -0.17 0.00 0.48 0.00 0.00 55.95 55.48 2qqc s SER 143 Cb -0.12 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.51 2qqc s SER 143 CO 0.02 -0.96 0.36 -0.51 0.98 0.00 0.00 173.24 173.13 2qqc s ILE 144 N -3.97 0.05 0.17 -1.02 2.07 -0.25 -5.00 121.20 113.25 2qqc s ILE 144 Ca 0.18 -0.44 -0.15 0.00 -1.41 0.00 0.00 60.65 58.84 2qqc s ILE 144 Cb 0.02 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.91 2qqc s ILE 144 CO 0.02 -0.24 0.43 0.00 -1.91 0.00 0.00 174.94 173.23 2qqc s ALA 145 N -1.54 -0.66 -0.12 1.50 0.00 -1.26 -0.88 121.76 118.80 2qqc s ALA 145 Ca -0.12 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 2qqc s ALA 145 Cb -0.04 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.95 2qqc s ALA 145 CO 0.04 -0.72 0.54 0.54 0.00 0.00 0.00 175.76 176.15 2qqc s VAL 146 N -3.89 0.01 0.18 0.00 0.11 -0.67 -5.01 120.40 111.14 2qqc s VAL 146 Ca 0.10 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2qqc s VAL 146 Cb 0.01 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2qqc s VAL 146 CO -0.04 -0.06 -0.17 -1.83 -3.33 0.00 0.00 175.10 169.67 2qqc s GLU 147 N -0.50 1.30 -0.06 1.54 -1.05 -1.26 -1.64 118.70 117.03 2qqc s GLU 147 Ca -0.06 -1.48 -0.03 0.00 -0.15 0.00 0.00 54.97 53.25 2qqc s GLU 147 Cb -0.03 -1.28 0.04 0.00 -0.44 0.00 0.00 34.13 32.42 2qqc s GLU 147 CO 0.04 0.24 0.14 -1.58 0.95 0.00 0.00 175.26 175.06 2qqc s HIS 148 N -2.36 -0.15 -0.39 4.83 2.46 0.19 -4.96 115.29 114.90 2qqc s HIS 148 Ca 0.18 0.46 -0.17 0.00 0.47 0.00 0.00 55.06 56.00 2qqc s HIS 148 Cb -0.04 -0.09 0.01 0.00 -0.13 0.00 0.00 32.58 32.33 2qqc s HIS 148 CO 0.07 -0.16 0.45 0.99 -2.47 0.00 0.00 174.74 173.62 2qqc s THR 149 N 1.14 5.07 0.22 0.89 2.01 -1.26 -0.58 115.64 123.13 2qqc s THR 149 Ca -0.09 -0.12 -0.32 0.00 0.31 0.00 0.00 61.69 61.48 2qqc s THR 149 Cb -0.11 -4.00 -0.12 0.00 0.01 0.00 0.00 72.50 68.28 2qqc s THR 149 CO -0.06 -0.34 1.71 -0.69 -0.69 0.00 0.00 174.62 174.56 2qqc s VAL 150 N 2.22 2.01 -0.19 3.82 1.01 0.31 -4.84 120.40 124.74 2qqc s VAL 150 Ca 0.14 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 2qqc s VAL 150 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 2qqc s VAL 150 CO 0.14 0.00 -0.32 -0.62 0.00 0.00 0.00 175.10 174.30 2qqc n GLU 151 N 3.76 0.53 0.05 2.72 1.02 -1.26 0.68 120.64 128.14 2qqc n GLU 151 Ca 0.15 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2qqc n GLU 151 Cb 0.35 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2qqc n GLU 151 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qqc n LYS 152 N -4.45 0.00 -3.66 3.49 3.00 -1.26 -4.46 118.16 110.83 2qqc n LYS 152 Ca -0.20 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.03 2qqc n LYS 152 Cb 0.55 -0.45 -0.09 0.00 0.00 0.00 0.00 35.03 35.03 2qqc n LYS 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2qqc s LEU 153 N -6.80 -0.68 0.25 3.14 0.20 -1.26 -4.46 118.68 109.07 2qqc s LEU 153 Ca 0.00 1.04 0.01 0.00 0.69 0.00 0.00 54.13 55.87 2qqc s LEU 153 Cb 0.00 1.43 -0.05 0.00 -0.43 0.00 0.00 46.19 47.14 2qqc s LEU 153 CO 0.00 -0.23 0.09 -0.83 -0.29 0.00 0.00 176.35 175.09 2qqc s GLY 154 N 2.61 1.69 -0.05 7.98 0.00 -0.52 -5.00 107.32 114.02 2qqc s GLY 154 Ca -0.02 -1.84 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 2qqc s GLY 154 CO -0.13 -1.59 0.13 0.00 0.00 0.00 0.00 173.10 171.51 2qqc s ALA 156 N 0.80 3.25 -0.02 0.00 0.00 -0.47 -4.95 121.76 120.37 2qqc s ALA 156 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2qqc s ALA 156 Cb -0.08 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2qqc s ALA 156 CO -0.04 0.38 0.01 0.12 0.00 0.00 0.00 175.76 176.23 2qqc s PHE 157 N -0.22 0.16 -0.00 0.00 5.36 -1.26 -1.76 117.98 120.25 2qqc s PHE 157 Ca 0.06 0.04 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 2qqc s PHE 157 Cb -0.12 -0.26 -0.00 0.00 -0.34 0.00 0.00 43.02 42.30 2qqc s PHE 157 CO 0.02 -0.08 -0.05 0.00 -1.46 0.00 0.00 175.22 173.65 2qqc s ALA 158 N 0.75 0.42 0.19 11.12 0.00 -0.53 -4.86 121.76 128.85 2qqc s ALA 158 Ca -0.07 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 2qqc s ALA 158 Cb -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2qqc s ALA 158 CO -0.02 0.10 0.44 0.00 0.00 0.00 0.00 175.76 176.28 2qqc s ALA 159 N -0.08 -0.56 -0.26 0.00 0.00 -1.26 -0.75 121.76 118.86 2qqc s ALA 159 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2qqc s ALA 159 Cb -0.02 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.04 2qqc s ALA 159 CO -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 175.76 175.02 2qqc s ALA 160 N -3.92 1.77 -0.16 0.00 0.00 0.11 -4.96 121.76 114.60 2qqc s ALA 160 Ca 0.13 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 2qqc s ALA 160 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2qqc s ALA 160 CO -0.01 -1.37 0.45 0.00 0.00 0.00 0.00 175.76 174.83 2qqc s ALA 161 N 1.49 3.52 -0.13 0.00 0.00 -1.26 -1.54 121.76 123.83 2qqc s ALA 161 Ca 0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 2qqc s ALA 161 Cb -0.18 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 2qqc s ALA 161 CO -0.12 -0.13 0.31 -0.51 0.00 0.00 0.00 175.76 175.31 2qqc s LEU 162 N 0.93 4.29 0.00 0.00 1.43 -0.28 -5.03 118.68 120.01 2qqc s LEU 162 Ca 0.23 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2qqc s LEU 162 Cb -0.15 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2qqc s LEU 162 CO 0.09 0.15 0.00 1.87 0.23 0.00 0.00 176.35 178.68 2qqc n TRP 163 N 3.23 0.00 -4.42 0.29 -0.00 -1.26 -4.12 117.44 111.16 2qqc n TRP 163 Ca -0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.14 2qqc n TRP 163 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.70 2qqc n TRP 163 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 2qqc s TYR 164 N -1.54 1.64 0.00 5.87 2.02 -1.26 -5.11 117.35 118.97 2qqc s TYR 164 Ca 0.00 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2qqc s TYR 164 Cb 0.00 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 2qqc s TYR 164 CO 0.00 0.12 0.11 0.36 -1.57 0.00 0.00 175.55 174.57