#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 4.17 0.62 0.38 -2.45 0.29 -4.92 119.30 117.39 2qqc s MET 55 Ca 0.00 0.65 -0.19 0.00 -1.25 0.00 0.00 55.69 54.90 2qqc s MET 55 Cb 0.00 -3.62 -0.02 0.00 1.25 0.00 0.00 34.83 32.44 2qqc s MET 55 CO 0.00 -0.35 1.30 -2.30 1.05 0.00 0.00 175.02 174.72 2qqc n PRO 56 N 5.45 1.28 -1.62 4.11 -0.02 -1.26 -0.75 135.00 142.19 2qqc n PRO 56 Ca 0.00 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 2qqc n PRO 56 Cb 0.49 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.59 1.51 -0.62 0.52 -0.02 -1.26 -1.65 135.00 131.88 2qqc n PRO 57 Ca 0.14 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2qqc n PRO 57 Cb 0.47 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.39 0.00 -1.44 -0.52 -0.58 -1.21 -4.97 120.64 112.32 2qqc n GLU 58 Ca 0.08 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.48 2qqc n GLU 58 Cb 0.36 -3.50 0.09 0.00 -0.57 0.00 0.00 31.44 27.83 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 -2.28 2.12 -0.07 0.62 0.00 -0.66 -5.01 121.76 116.47 2qqc s ALA 59 Ca 0.00 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.90 2qqc s ALA 59 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2qqc s ALA 59 CO 0.00 -1.89 -0.14 -2.00 0.00 0.00 0.00 175.76 171.73 2qqc s GLU 60 N -3.87 2.77 -0.18 0.00 2.12 -1.26 -5.03 118.70 113.25 2qqc s GLU 60 Ca 0.75 -0.69 -0.27 0.00 0.36 0.00 0.00 54.97 55.13 2qqc s GLU 60 Cb -0.30 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 2qqc s GLU 60 CO 0.45 0.50 0.91 0.42 -0.54 0.00 0.00 175.26 177.00 2qqc s ILE 61 N -0.41 4.82 0.13 -3.70 -1.09 -1.26 -5.02 121.20 114.67 2qqc s ILE 61 Ca 0.05 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.25 2qqc s ILE 61 Cb -0.12 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 2qqc s ILE 61 CO 0.02 -0.03 0.02 0.68 -1.23 0.00 0.00 174.94 174.40 2qqc s VAL 62 N 2.42 0.35 0.59 2.92 -7.23 -1.26 -5.13 120.40 113.05 2qqc s VAL 62 Ca 0.41 -1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 2qqc s VAL 62 Cb -0.16 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2qqc s VAL 62 CO 0.11 -0.56 1.17 -2.84 -0.31 0.00 0.00 175.10 172.68 2qqc s PRO 63 N -3.97 3.06 0.00 4.82 0.02 -1.26 -4.85 135.00 132.81 2qqc s PRO 63 Ca 0.21 1.72 -0.34 0.00 0.02 0.00 0.00 61.00 62.61 2qqc s PRO 63 Cb 0.07 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.51 2qqc s PRO 63 CO 0.01 -1.11 1.80 -0.11 -0.33 0.00 0.00 177.00 177.25 2qqc n LEU 64 N -1.59 3.42 -4.93 -5.54 7.94 -1.26 -4.95 117.00 110.08 2qqc n LEU 64 Ca 0.13 1.00 -0.28 0.00 -1.11 0.00 0.00 56.01 55.75 2qqc n LEU 64 Cb 0.50 -1.41 0.12 0.00 0.53 0.00 0.00 43.42 43.16 2qqc n LEU 64 CO 0.44 -0.10 0.73 -2.16 -1.11 0.00 0.00 177.39 175.20 2qqc s PRO 65 N 3.10 1.57 -0.09 1.96 0.04 -1.26 -4.97 135.00 135.35 2qqc s PRO 65 Ca 0.88 -0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 2qqc s PRO 65 Cb -0.66 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2qqc s PRO 65 CO 0.46 -1.73 1.49 0.15 0.04 0.00 0.00 177.00 177.41 2qqc s LYS 66 N -5.52 4.21 -0.15 4.56 1.02 -1.26 -4.98 119.74 117.61 2qqc s LYS 66 Ca 0.66 1.97 -0.08 0.00 0.02 0.00 0.00 55.97 58.54 2qqc s LYS 66 Cb -0.08 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 2qqc s LYS 66 CO 0.48 -0.78 0.12 -0.51 -0.92 0.00 0.00 175.35 173.75 2qqc s LEU 67 N 3.73 4.21 0.30 3.17 1.43 -1.26 -5.06 118.68 125.20 2qqc s LEU 67 Ca 0.66 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 2qqc s LEU 67 Cb -0.29 -2.05 -0.11 0.00 0.03 0.00 0.00 46.19 43.78 2qqc s LEU 67 CO 0.24 0.30 1.48 -2.84 0.23 0.00 0.00 176.35 175.75 2qqc s PRO 68 N -0.38 4.20 0.32 1.29 0.02 -1.26 -4.91 135.00 134.28 2qqc s PRO 68 Ca 0.11 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.28 2qqc s PRO 68 Cb -0.12 -3.04 -0.11 0.00 0.02 0.00 0.00 34.50 31.25 2qqc s PRO 68 CO 0.01 -0.48 1.45 -1.64 -0.33 0.00 0.00 177.00 176.02 2qqc s MET 69 N -1.04 4.21 0.00 5.54 -1.94 -1.26 -1.96 119.30 122.86 2qqc s MET 69 Ca 0.57 2.42 0.00 0.00 -1.71 0.00 0.00 55.69 56.97 2qqc s MET 69 Cb -0.44 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.36 2qqc s MET 69 CO 0.51 -0.44 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 2qqc n GLY 70 N 1.25 0.87 3.76 -0.03 0.00 -1.26 -5.01 105.19 104.77 2qqc n GLY 70 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2qqc n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqc s ALA 71 N -3.49 3.02 -0.61 4.61 0.00 -0.83 -4.93 121.76 119.53 2qqc s ALA 71 Ca 0.00 1.41 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 2qqc s ALA 71 Cb 0.00 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2qqc s ALA 71 CO 0.00 -1.31 0.89 -0.51 0.00 0.00 0.00 175.76 174.84 2qqc s LEU 72 N -3.15 4.50 -0.36 0.00 1.43 -1.26 -5.02 118.68 114.82 2qqc s LEU 72 Ca 0.67 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2qqc s LEU 72 Cb -0.42 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.33 2qqc s LEU 72 CO 0.52 -1.30 0.17 -0.69 0.23 0.00 0.00 176.35 175.28 2qqc s VAL 73 N 3.73 4.29 0.10 -1.59 1.01 -1.26 -5.06 120.40 121.63 2qqc s VAL 73 Ca 0.22 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 2qqc s VAL 73 Cb -0.17 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 2qqc s VAL 73 CO 0.12 -0.21 1.88 -2.84 0.00 0.00 0.00 175.10 174.05 2qqc s PRO 74 N 1.50 4.14 -0.03 2.72 0.02 -1.26 -4.89 135.00 137.20 2qqc s PRO 74 Ca 0.01 2.61 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 2qqc s PRO 74 Cb -0.19 -3.77 0.02 0.00 0.02 0.00 0.00 34.50 30.58 2qqc s PRO 74 CO 0.05 -0.88 0.06 0.99 -0.33 0.00 0.00 177.00 176.89 2qqc s THR 75 N 3.28 -0.03 -0.21 0.99 2.01 -1.26 -1.37 115.64 119.05 2qqc s THR 75 Ca 0.84 0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.86 2qqc s THR 75 Cb -0.45 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2qqc s THR 75 CO 0.38 0.05 0.13 0.00 -0.69 0.00 0.00 174.62 174.48 2qqc s ALA 76 N 0.64 3.62 0.16 7.40 0.00 -0.70 -4.97 121.76 127.92 2qqc s ALA 76 Ca -0.05 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2qqc s ALA 76 Cb -0.07 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.90 2qqc s ALA 76 CO -0.02 0.07 0.39 1.52 0.00 0.00 0.00 175.76 177.72 2qqc s TYR 77 N 0.54 0.06 0.02 0.00 -0.85 -1.26 -0.69 117.35 115.18 2qqc s TYR 77 Ca 0.07 -0.42 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 2qqc s TYR 77 Cb -0.12 0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 2qqc s TYR 77 CO -0.00 -0.77 -0.12 0.20 -1.52 0.00 0.00 175.55 173.34 2qqc s GLY 78 N -2.89 0.66 0.13 5.49 0.00 -0.61 -4.93 107.32 105.17 2qqc s GLY 78 Ca 0.10 -0.69 -0.19 0.00 0.00 0.00 0.00 44.72 43.95 2qqc s GLY 78 CO -0.04 -0.65 0.48 -2.52 0.00 0.00 0.00 173.10 170.36 2qqc s TYR 79 N -0.70 -0.34 -0.15 1.90 -0.85 -1.26 -1.88 117.35 114.07 2qqc s TYR 79 Ca 0.01 0.09 -0.12 0.00 -0.52 0.00 0.00 57.07 56.53 2qqc s TYR 79 Cb -0.07 0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.69 2qqc s TYR 79 CO 0.01 -0.75 0.39 -1.50 -1.52 0.00 0.00 175.55 172.17 2qqc s ILE 80 N -3.68 -0.01 -0.05 -3.49 2.07 -0.76 -4.88 121.20 110.40 2qqc s ILE 80 Ca 0.02 0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.35 2qqc s ILE 80 Cb 0.01 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 2qqc s ILE 80 CO -0.12 0.01 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.05 2qqc s ILE 81 N 0.53 1.99 -0.00 2.00 1.01 -1.26 -1.60 121.20 123.87 2qqc s ILE 81 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2qqc s ILE 81 Cb -0.04 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 2qqc s ILE 81 CO -0.03 0.56 -0.03 -0.55 0.00 0.00 0.00 174.94 174.89 2qqc s SER 82 N -0.20 0.39 -0.30 3.58 0.15 -0.46 -5.00 113.70 111.86 2qqc s SER 82 Ca -0.02 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.66 2qqc s SER 82 Cb -0.13 -0.06 0.49 0.00 -1.71 0.00 0.00 66.02 64.62 2qqc s SER 82 CO 0.03 0.03 1.44 -0.90 1.20 0.00 0.00 173.24 175.04 2qqc n ASP 83 N 3.09 2.75 -4.25 5.45 5.68 -1.26 -1.26 116.55 126.75 2qqc n ASP 83 Ca -0.14 -3.81 -0.39 0.00 -0.50 0.00 0.00 54.79 49.96 2qqc n ASP 83 Cb 0.58 -0.62 -0.11 0.00 -1.14 0.00 0.00 41.12 39.83 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 -3.42 3.92 0.20 2.12 1.01 -1.26 -4.81 120.40 118.16 2qqc s VAL 84 Ca 0.45 -1.35 -0.32 0.00 0.00 0.00 0.00 61.98 60.77 2qqc s VAL 84 Cb 0.41 -3.35 -0.15 0.00 0.00 0.00 0.00 36.38 33.29 2qqc s VAL 84 CO -0.01 -0.38 1.14 -2.65 0.00 0.00 0.00 175.10 173.21 2qqc n PRO 85 N 4.83 1.25 0.00 2.72 -0.02 -1.26 -1.71 135.00 140.81 2qqc n PRO 85 Ca -0.10 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2qqc n PRO 85 Cb 0.43 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.89 2.95 3.76 -1.23 0.00 0.16 -4.97 105.19 107.75 2qqc n GLY 86 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.02 4.47 -0.22 1.61 2.12 -0.69 -4.64 118.70 121.32 2qqc s GLU 87 Ca 0.00 1.83 -0.10 0.00 0.36 0.00 0.00 54.97 57.06 2qqc s GLU 87 Cb 0.00 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 2qqc s GLU 87 CO 0.00 0.05 0.14 0.99 -0.54 0.00 0.00 175.26 175.89 2qqc s THR 88 N -1.25 5.29 0.13 -1.70 2.01 -1.26 -0.26 115.64 118.59 2qqc s THR 88 Ca 0.48 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.71 2qqc s THR 88 Cb -0.32 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2qqc s THR 88 CO 0.41 0.39 -0.19 0.27 -0.69 0.00 0.00 174.62 174.81 2qqc s ILE 89 N 0.74 1.69 0.11 1.82 -4.36 0.21 -3.51 121.20 117.90 2qqc s ILE 89 Ca 0.07 -1.69 -0.05 0.00 -0.26 0.00 0.00 60.65 58.73 2qqc s ILE 89 Cb -0.13 -1.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 2qqc s ILE 89 CO 0.02 -0.19 0.12 -0.44 0.24 0.00 0.00 174.94 174.69 2qqc s SER 90 N -2.23 0.24 -0.00 4.36 0.01 -0.32 0.06 113.70 115.81 2qqc s SER 90 Ca 0.10 -0.94 -0.05 0.00 1.31 0.00 0.00 55.95 56.36 2qqc s SER 90 Cb -0.08 0.32 -0.00 0.00 0.21 0.00 0.00 66.02 66.47 2qqc s SER 90 CO 0.05 -0.74 0.09 0.00 0.41 0.00 0.00 173.24 173.05 2qqc s ALA 91 N -3.95 -0.20 0.00 1.44 0.00 -0.76 -1.93 121.76 116.36 2qqc s ALA 91 Ca 0.14 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 2qqc s ALA 91 Cb 0.06 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2qqc s ALA 91 CO -0.04 -0.17 0.38 0.00 0.00 0.00 0.00 175.76 175.93 2qqc s ALA 92 N -1.16 -0.96 0.01 0.00 0.00 0.04 -1.40 121.76 118.29 2qqc s ALA 92 Ca -0.13 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2qqc s ALA 92 Cb -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2qqc s ALA 92 CO 0.01 -0.34 -0.08 0.42 0.00 0.00 0.00 175.76 175.77 2qqc s ILE 93 N -1.71 0.60 0.07 0.00 -1.09 -0.49 -0.63 121.20 117.94 2qqc s ILE 93 Ca -0.10 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 2qqc s ILE 93 Cb -0.03 -0.56 -0.03 0.00 -1.58 0.00 0.00 42.46 40.26 2qqc s ILE 93 CO 0.03 -0.01 -0.07 -0.94 -1.23 0.00 0.00 174.94 172.72 2qqc s SER 94 N -0.66 0.93 -0.11 3.58 1.04 -0.39 -1.57 113.70 116.51 2qqc s SER 94 Ca -0.01 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 2qqc s SER 94 Cb -0.05 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.19 2qqc s SER 94 CO 0.00 -0.37 0.02 -0.69 0.98 0.00 0.00 173.24 173.18 2qqc s VAL 95 N -2.69 0.37 -0.20 5.02 1.01 0.70 -1.06 120.40 123.55 2qqc s VAL 95 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 2qqc s VAL 95 Cb -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2qqc s VAL 95 CO -0.03 0.09 0.60 0.00 0.00 0.00 0.00 175.10 175.76 2qqc s ALA 96 N 1.96 3.54 -0.17 5.51 0.00 0.80 -1.38 121.76 132.02 2qqc s ALA 96 Ca 0.03 -0.31 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 2qqc s ALA 96 Cb -0.14 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2qqc s ALA 96 CO -0.06 -0.52 0.09 0.42 0.00 0.00 0.00 175.76 175.69 2qqc s ILE 97 N 1.82 5.07 0.47 0.00 1.01 -0.09 -1.43 121.20 128.04 2qqc s ILE 97 Ca 0.27 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 2qqc s ILE 97 Cb -0.16 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 2qqc s ILE 97 CO 0.10 0.48 0.86 -2.16 0.00 0.00 0.00 174.94 174.23 2qqc s PRO 98 N 0.10 3.78 0.12 2.79 0.04 -1.26 0.11 135.00 140.67 2qqc s PRO 98 Ca 0.07 0.61 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 2qqc s PRO 98 Cb -0.12 -2.28 -0.13 0.00 0.04 0.00 0.00 34.50 32.01 2qqc s PRO 98 CO 0.00 -0.19 1.28 0.87 0.04 0.00 0.00 177.00 179.00 2qqc h LYS 99 N 0.85 0.29 -6.46 4.56 1.57 -1.63 -3.40 116.57 112.35 2qqc h LYS 99 Ca -0.47 -0.36 -0.56 0.00 -1.87 0.00 0.00 60.65 57.39 2qqc h LYS 99 Cb 1.19 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.53 2qqc h LYS 99 CO 0.63 1.09 0.89 0.34 -0.57 0.00 0.00 179.45 181.83 2qqc s ASP 100 N -7.04 6.45 0.00 0.86 -1.08 -1.26 -4.88 116.67 109.71 2qqc s ASP 100 Ca -0.04 0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.17 2qqc s ASP 100 Cb 0.09 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.60 2qqc s ASP 100 CO 0.86 -1.41 1.34 0.29 0.52 0.00 0.00 175.17 176.78 2qqc n LYS 101 N 8.19 0.10 0.02 4.34 4.76 -1.26 -1.55 118.16 132.75 2qqc n LYS 101 Ca 0.08 0.22 0.13 0.00 -2.87 0.00 0.00 58.31 55.87 2qqc n LYS 101 Cb 0.49 -1.50 0.41 0.00 -1.84 0.00 0.00 35.03 32.59 2qqc n LYS 101 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qqc n SER 102 N -1.38 0.33 -4.96 4.39 3.41 -1.26 -3.29 113.62 110.87 2qqc n SER 102 Ca 0.05 0.18 -0.22 0.00 -0.26 0.00 0.00 58.87 58.61 2qqc n SER 102 Cb 0.12 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 2qqc n SER 102 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qqc s LEU 103 N -3.26 3.53 0.53 1.04 1.43 -0.59 -4.80 118.68 116.56 2qqc s LEU 103 Ca 0.12 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2qqc s LEU 103 Cb 0.17 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.34 2qqc s LEU 103 CO 0.62 -0.84 0.75 0.00 0.23 0.00 0.00 176.35 177.11 2qqc s GLY 105 N -4.37 1.60 -0.18 0.00 0.00 0.07 -4.49 107.32 99.95 2qqc s GLY 105 Ca 0.55 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 2qqc s GLY 105 CO 0.38 -1.07 -0.04 -2.27 0.00 0.00 0.00 173.10 170.10 2qqc s LEU 106 N -3.41 3.13 -0.23 0.66 2.96 -0.51 -0.55 118.68 120.73 2qqc s LEU 106 Ca 0.35 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 2qqc s LEU 106 Cb -0.11 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2qqc s LEU 106 CO 0.29 0.11 0.11 -0.63 -1.32 0.00 0.00 176.35 174.90 2qqc s ILE 107 N 0.74 4.88 0.13 6.68 1.01 -1.26 -0.14 121.20 133.23 2qqc s ILE 107 Ca -0.02 0.01 0.10 0.00 0.00 0.00 0.00 60.65 60.74 2qqc s ILE 107 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2qqc s ILE 107 CO 0.02 0.37 -0.22 -0.04 0.00 0.00 0.00 174.94 175.07 2qqc s MET 108 N 1.09 1.62 0.07 2.79 -1.94 -0.23 -4.74 119.30 117.96 2qqc s MET 108 Ca 0.06 -1.26 0.05 0.00 -1.71 0.00 0.00 55.69 52.83 2qqc s MET 108 Cb -0.14 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 2qqc s MET 108 CO 0.04 0.46 -0.15 1.14 -0.01 0.00 0.00 175.02 176.50 2qqc s GLN 109 N -2.14 0.85 0.01 2.03 -2.07 -1.26 -1.26 119.66 115.82 2qqc s GLN 109 Ca 0.17 -0.97 -0.10 0.00 -1.82 0.00 0.00 55.36 52.64 2qqc s GLN 109 Cb -0.10 -0.89 0.01 0.00 -1.09 0.00 0.00 33.01 30.94 2qqc s GLN 109 CO 0.08 0.20 0.20 -0.47 -1.32 0.00 0.00 175.29 173.99 2qqc s TYR 110 N -1.25 -0.02 -0.15 9.60 5.04 0.20 -4.98 117.35 125.79 2qqc s TYR 110 Ca -0.01 -0.04 -0.21 0.00 -2.44 0.00 0.00 57.07 54.37 2qqc s TYR 110 Cb -0.10 0.00 0.05 0.00 0.35 0.00 0.00 41.96 42.27 2qqc s TYR 110 CO 0.02 -0.35 0.55 -1.83 -1.34 0.00 0.00 175.55 172.61 2qqc s GLU 111 N -1.60 0.75 -0.03 4.97 1.03 -1.26 -0.78 118.70 121.78 2qqc s GLU 111 Ca -0.13 0.53 -0.13 0.00 0.03 0.00 0.00 54.97 55.27 2qqc s GLU 111 Cb -0.06 0.36 0.04 0.00 -0.80 0.00 0.00 34.13 33.67 2qqc s GLU 111 CO 0.01 -0.15 0.58 0.41 -1.33 0.00 0.00 175.26 174.79 2qqc n GLY 112 N 2.15 0.36 3.06 -3.83 0.00 -0.81 -5.01 105.19 101.11 2qqc n GLY 112 Ca -0.16 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2qqc n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqc n LYS 113 N -0.42 3.98 -4.01 1.61 5.02 -1.26 -1.18 118.16 121.90 2qqc n LYS 113 Ca 0.02 -4.54 -0.13 0.00 -2.02 0.00 0.00 58.31 51.65 2qqc n LYS 113 Cb 0.25 -2.50 -0.02 0.00 -0.02 0.00 0.00 35.03 32.74 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 -3.19 4.29 0.27 0.00 1.04 -1.26 -3.86 113.70 110.99 2qqc s SER 115 Ca 0.26 1.47 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 2qqc s SER 115 Cb -0.02 -2.21 0.36 0.00 0.10 0.00 0.00 66.02 64.26 2qqc s SER 115 CO 0.18 -2.12 1.89 0.50 0.98 0.00 0.00 173.24 174.67 2qqc h LYS 116 N -1.19 1.05 0.37 4.02 3.64 -1.92 -0.24 116.57 122.31 2qqc h LYS 116 Ca -0.47 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 58.76 2qqc h LYS 116 Cb 1.26 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2qqc h LYS 116 CO 0.56 0.79 -0.18 -0.22 -2.27 0.00 0.00 179.45 178.13 2qqc h LYS 117 N 1.05 -0.48 -0.53 1.90 3.64 -1.97 -1.58 116.57 118.60 2qqc h LYS 117 Ca 0.26 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 2qqc h LYS 117 Cb 0.06 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2qqc h LYS 117 CO -0.04 -0.31 0.01 1.49 -2.27 0.00 0.00 179.45 178.33 2qqc h GLU 118 N -0.52 0.90 -0.42 1.90 4.81 -1.88 -1.92 114.58 117.44 2qqc h GLU 118 Ca -0.05 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2qqc h GLU 118 Cb 0.40 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2qqc h GLU 118 CO 0.08 0.89 0.28 0.00 -0.73 0.00 0.00 179.01 179.53 2qqc h ALA 119 N 1.17 0.54 -0.27 2.92 0.00 -0.91 -0.41 119.26 122.29 2qqc h ALA 119 Ca 0.16 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2qqc h ALA 119 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qqc h ALA 119 CO 0.02 -0.01 -0.49 1.49 0.00 0.00 0.00 179.25 180.26 2qqc h GLU 120 N 0.57 0.74 -0.73 0.00 4.81 -1.14 -1.88 114.58 116.95 2qqc h GLU 120 Ca 0.16 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 2qqc h GLU 120 Cb -0.06 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2qqc h GLU 120 CO -0.04 1.06 0.34 -0.22 -0.73 0.00 0.00 179.01 179.42 2qqc h LYS 121 N 0.58 1.05 -0.31 1.92 3.64 -1.15 -1.58 116.57 120.73 2qqc h LYS 121 Ca 0.03 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 2qqc h LYS 121 Cb 1.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2qqc h LYS 121 CO 0.10 0.83 -0.10 1.15 -2.27 0.00 0.00 179.45 179.17 2qqc h THR 122 N 1.02 1.28 0.00 1.00 2.02 -0.95 -2.19 112.91 115.10 2qqc h THR 122 Ca 0.25 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 2qqc h THR 122 Cb 0.13 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2qqc h THR 122 CO -0.03 0.37 -0.45 1.62 0.37 0.00 0.00 175.52 177.40 2qqc h VAL 123 N 0.38 1.22 -0.19 3.16 3.04 -1.22 -1.37 116.25 121.27 2qqc h VAL 123 Ca 0.08 -1.61 -0.16 0.00 -1.01 0.00 0.00 66.70 64.00 2qqc h VAL 123 Cb 0.60 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 2qqc h VAL 123 CO 0.03 0.45 -0.54 0.03 -1.01 0.00 0.00 177.57 176.53 2qqc h ARG 124 N 0.00 0.57 -0.67 4.17 3.08 -1.21 -2.39 114.38 117.93 2qqc h ARG 124 Ca -0.00 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.62 2qqc h ARG 124 Cb 0.86 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 2qqc h ARG 124 CO 0.06 0.96 0.15 1.49 -1.07 0.00 0.00 179.97 181.56 2qqc h GLU 125 N 0.44 1.09 -0.51 0.04 4.57 -0.92 -1.55 114.58 117.73 2qqc h GLU 125 Ca 0.01 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 2qqc h GLU 125 Cb 1.08 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 2qqc h GLU 125 CO 0.10 0.98 0.21 0.52 -1.18 0.00 0.00 179.01 179.64 2qqc h MET 126 N 1.01 0.72 -0.28 1.92 2.86 -1.06 -0.16 114.93 119.95 2qqc h MET 126 Ca 0.21 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 2qqc h MET 126 Cb 0.39 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2qqc h MET 126 CO 0.01 0.59 -0.38 0.00 1.06 0.00 0.00 176.91 178.18 2qqc h ALA 127 N 1.52 0.42 -0.43 6.32 0.00 -1.07 -1.55 119.26 124.47 2qqc h ALA 127 Ca 0.18 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2qqc h ALA 127 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qqc h ALA 127 CO -0.02 0.51 0.26 -0.22 0.00 0.00 0.00 179.25 179.78 2qqc h LYS 128 N 0.49 0.51 -0.77 0.00 3.64 -0.73 -2.07 116.57 117.64 2qqc h LYS 128 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2qqc h LYS 128 Cb 0.97 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 2qqc h LYS 128 CO 0.09 0.33 0.38 0.82 -2.27 0.00 0.00 179.45 178.80 2qqc h ILE 129 N 0.52 1.24 -0.75 2.00 2.04 -0.96 -1.71 117.51 119.89 2qqc h ILE 129 Ca 0.17 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2qqc h ILE 129 Cb 0.00 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 2qqc h ILE 129 CO -0.07 0.28 0.46 1.23 0.00 0.00 0.00 178.15 180.05 2qqc h GLY 130 N 1.12 1.08 1.68 5.37 0.00 -0.69 -0.27 103.07 111.35 2qqc h GLY 130 Ca 0.27 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2qqc h GLY 130 CO -0.04 0.43 -0.47 0.74 0.00 0.00 0.00 176.54 177.20 2qqc h PHE 131 N 1.02 0.43 -0.30 5.60 -1.00 -0.99 -2.57 116.94 119.13 2qqc h PHE 131 Ca 0.27 -0.13 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 2qqc h PHE 131 Cb -0.06 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 2qqc h PHE 131 CO -0.01 0.76 -0.25 0.93 -1.61 0.00 0.00 178.31 178.13 2qqc h GLU 132 N 0.28 0.60 0.00 1.51 5.08 -0.81 0.15 114.58 121.39 2qqc h GLU 132 Ca 0.02 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 2qqc h GLU 132 Cb 0.94 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2qqc h GLU 132 CO 0.08 0.80 -0.29 0.52 -1.00 0.00 0.00 179.01 179.11 2qqc h MET 133 N 0.52 0.00 0.00 2.33 2.86 -0.84 -2.51 114.93 117.29 2qqc h MET 133 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2qqc h MET 133 Cb 0.71 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2qqc h MET 133 CO 0.05 0.29 -1.07 0.54 1.06 0.00 0.00 176.91 177.79 2qqc n ARG 134 N -3.84 0.61 -1.66 1.72 1.74 -0.92 -4.97 116.66 109.35 2qqc n ARG 134 Ca -0.01 0.11 -0.02 0.00 -0.77 0.00 0.00 57.85 57.16 2qqc n ARG 134 Cb 0.38 -1.81 -0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 1.19 0.38 3.90 -0.13 0.00 0.47 -5.04 105.19 105.98 2qqc n GLY 135 Ca -0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.10 3.55 -0.09 1.61 0.51 -0.78 -5.03 118.94 116.60 2qqc s TRP 136 Ca 0.00 0.40 -0.30 0.00 -2.12 0.00 0.00 56.10 54.09 2qqc s TRP 136 Cb 0.00 -1.87 -0.02 0.00 -0.81 0.00 0.00 33.47 30.77 2qqc s TRP 136 CO 0.00 0.61 1.18 -1.21 -0.51 0.00 0.00 176.95 177.02 2qqc s GLU 137 N -2.05 4.33 0.00 4.98 0.41 -1.26 -4.65 118.70 120.47 2qqc s GLU 137 Ca 0.30 1.62 -0.26 0.00 -0.41 0.00 0.00 54.97 56.22 2qqc s GLU 137 Cb -0.13 -3.60 -0.04 0.00 -1.78 0.00 0.00 34.13 28.58 2qqc s GLU 137 CO 0.20 -0.49 0.80 -1.17 -0.49 0.00 0.00 175.26 174.11 2qqc s LEU 138 N 2.48 4.39 -0.14 1.80 2.96 -1.26 -1.77 118.68 127.14 2qqc s LEU 138 Ca 0.54 1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 55.77 2qqc s LEU 138 Cb -0.23 -3.27 -0.06 0.00 0.50 0.00 0.00 46.19 43.13 2qqc s LEU 138 CO 0.19 -0.09 -0.03 -0.78 -1.32 0.00 0.00 176.35 174.32 2qqc h ASP 139 N 6.24 0.00 -5.33 3.68 3.58 -0.57 -3.43 116.42 120.59 2qqc h ASP 139 Ca -0.42 -0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.03 2qqc h ASP 139 Cb 1.21 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.22 2qqc h ASP 139 CO 0.73 0.84 0.52 0.00 -2.88 0.00 0.00 179.24 178.45 2qqc s ARG 140 N -2.13 1.45 -0.06 0.28 1.70 -1.16 -5.02 118.95 114.02 2qqc s ARG 140 Ca -0.14 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.21 2qqc s ARG 140 Cb 0.02 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2qqc s ARG 140 CO 0.26 -0.68 -0.06 0.42 -1.08 0.00 0.00 175.30 174.16 2qqc s ILE 141 N -2.38 0.70 -0.12 4.99 1.01 -1.26 -0.92 121.20 123.22 2qqc s ILE 141 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2qqc s ILE 141 Cb -0.03 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2qqc s ILE 141 CO 0.06 0.27 0.07 -1.61 0.00 0.00 0.00 174.94 173.73 2qqc s GLU 142 N 1.09 3.40 0.21 2.79 0.41 -0.48 -4.92 118.70 121.19 2qqc s GLU 142 Ca -0.08 -0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 54.09 2qqc s GLU 142 Cb -0.14 -3.05 -0.01 0.00 -1.78 0.00 0.00 34.13 29.16 2qqc s GLU 142 CO -0.01 0.63 0.38 -1.54 -0.49 0.00 0.00 175.26 174.24 2qqc s SER 143 N -0.64 -0.04 -0.03 -0.19 1.04 -1.26 -0.22 113.70 112.36 2qqc s SER 143 Ca 0.12 -0.90 -0.24 0.00 0.48 0.00 0.00 55.95 55.41 2qqc s SER 143 Cb -0.12 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2qqc s SER 143 CO 0.02 -1.02 0.51 -0.51 0.98 0.00 0.00 173.24 173.23 2qqc s ILE 144 N -4.00 0.03 0.14 -1.02 2.07 -0.61 -5.01 121.20 112.80 2qqc s ILE 144 Ca 0.21 -0.22 -0.10 0.00 -1.41 0.00 0.00 60.65 59.13 2qqc s ILE 144 Cb 0.01 -0.84 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 2qqc s ILE 144 CO 0.05 -0.12 0.28 0.00 -1.91 0.00 0.00 174.94 173.24 2qqc s ALA 145 N -1.38 -0.21 -0.07 1.50 0.00 -1.26 -1.40 121.76 118.93 2qqc s ALA 145 Ca -0.11 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 2qqc s ALA 145 Cb -0.02 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2qqc s ALA 145 CO 0.06 -0.62 0.27 0.54 0.00 0.00 0.00 175.76 176.02 2qqc s VAL 146 N -3.92 0.03 0.12 0.00 0.11 -0.50 -5.00 120.40 111.24 2qqc s VAL 146 Ca 0.12 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 2qqc s VAL 146 Cb 0.03 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 2qqc s VAL 146 CO -0.04 -0.12 -0.20 -1.83 -3.33 0.00 0.00 175.10 169.58 2qqc s GLU 147 N -0.43 1.14 -0.01 1.54 -1.05 -1.26 -1.83 118.70 116.79 2qqc s GLU 147 Ca -0.05 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.56 2qqc s GLU 147 Cb -0.04 -1.32 0.02 0.00 -0.44 0.00 0.00 34.13 32.35 2qqc s GLU 147 CO 0.02 0.30 0.00 -1.58 0.95 0.00 0.00 175.26 174.94 2qqc s HIS 148 N -1.42 0.16 -0.34 4.83 2.46 0.11 -4.98 115.29 116.10 2qqc s HIS 148 Ca 0.08 0.02 -0.13 0.00 0.47 0.00 0.00 55.06 55.51 2qqc s HIS 148 Cb -0.09 -0.22 -0.01 0.00 -0.13 0.00 0.00 32.58 32.13 2qqc s HIS 148 CO 0.05 -0.06 0.24 0.99 -2.47 0.00 0.00 174.74 173.49 2qqc s THR 149 N 0.57 5.27 0.32 0.89 2.01 -1.26 -0.62 115.64 122.81 2qqc s THR 149 Ca -0.05 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 2qqc s THR 149 Cb -0.08 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 2qqc s THR 149 CO -0.01 -0.03 1.36 -0.69 -0.69 0.00 0.00 174.62 174.56 2qqc s VAL 150 N 1.72 2.61 -0.21 3.82 1.01 0.64 -4.87 120.40 125.13 2qqc s VAL 150 Ca 0.06 0.59 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 2qqc s VAL 150 Cb -0.17 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 2qqc s VAL 150 CO 0.10 0.13 -0.32 -0.62 0.00 0.00 0.00 175.10 174.40 2qqc n GLU 151 N 1.15 0.54 0.00 2.72 1.02 -1.26 0.37 120.64 125.17 2qqc n GLU 151 Ca 0.02 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2qqc n GLU 151 Cb 0.41 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2qqc n GLU 151 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qqc n LYS 152 N -4.41 0.00 -3.31 3.49 5.02 -1.26 -4.25 118.16 113.44 2qqc n LYS 152 Ca -0.26 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.03 2qqc n LYS 152 Cb 0.61 -0.44 -0.03 0.00 -0.02 0.00 0.00 35.03 35.15 2qqc n LYS 152 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qqc s LEU 153 N -4.48 -1.20 0.22 -0.35 2.96 -1.26 -4.18 118.68 110.39 2qqc s LEU 153 Ca 0.00 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 2qqc s LEU 153 Cb 0.00 2.02 -0.05 0.00 0.50 0.00 0.00 46.19 48.66 2qqc s LEU 153 CO 0.00 -0.26 -0.02 -0.83 -1.32 0.00 0.00 176.35 173.93 2qqc s GLY 154 N 2.81 1.52 -0.02 7.98 0.00 -0.38 -4.98 107.32 114.25 2qqc s GLY 154 Ca 0.13 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.11 2qqc s GLY 154 CO -0.19 -1.67 -0.01 0.00 0.00 0.00 0.00 173.10 171.23 2qqc s ALA 156 N 0.70 2.92 -0.01 0.00 0.00 -0.63 -4.96 121.76 119.78 2qqc s ALA 156 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2qqc s ALA 156 Cb -0.10 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.65 2qqc s ALA 156 CO -0.01 0.33 0.01 0.12 0.00 0.00 0.00 175.76 176.21 2qqc s PHE 157 N 0.00 0.03 -0.01 0.00 5.36 -1.26 -1.83 117.98 120.27 2qqc s PHE 157 Ca -0.01 0.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 2qqc s PHE 157 Cb -0.14 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.44 2qqc s PHE 157 CO 0.03 -0.04 -0.03 0.00 -1.46 0.00 0.00 175.22 173.72 2qqc s ALA 158 N 0.44 0.32 0.11 11.12 0.00 -0.79 -4.85 121.76 128.12 2qqc s ALA 158 Ca -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 51.72 2qqc s ALA 158 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2qqc s ALA 158 CO -0.01 0.06 0.22 0.00 0.00 0.00 0.00 175.76 176.02 2qqc s ALA 159 N 0.06 -0.12 -0.28 0.00 0.00 -1.26 -1.57 121.76 118.59 2qqc s ALA 159 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2qqc s ALA 159 Cb -0.03 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.78 2qqc s ALA 159 CO -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 175.76 175.17 2qqc s ALA 160 N -3.90 2.48 -0.22 0.00 0.00 0.14 -4.97 121.76 115.29 2qqc s ALA 160 Ca 0.09 -1.93 -0.16 0.00 0.00 0.00 0.00 51.96 49.97 2qqc s ALA 160 Cb 0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2qqc s ALA 160 CO -0.07 -1.39 0.40 0.00 0.00 0.00 0.00 175.76 174.70 2qqc s ALA 161 N 1.13 3.56 -0.07 0.00 0.00 -1.26 -1.72 121.76 123.40 2qqc s ALA 161 Ca -0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 2qqc s ALA 161 Cb -0.19 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 2qqc s ALA 161 CO -0.08 -0.38 0.53 -0.51 0.00 0.00 0.00 175.76 175.32 2qqc s LEU 162 N 1.49 4.33 0.00 0.00 1.43 -0.47 -5.03 118.68 120.43 2qqc s LEU 162 Ca 0.19 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2qqc s LEU 162 Cb -0.15 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2qqc s LEU 162 CO 0.08 0.03 0.00 1.87 0.23 0.00 0.00 176.35 178.57 2qqc n TRP 163 N 3.31 -0.00 -4.77 0.29 -0.00 -1.26 -4.16 117.44 110.86 2qqc n TRP 163 Ca -0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.19 2qqc n TRP 163 Cb 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.67 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 -1.42 1.45 -2.27 5.87 2.02 -1.26 -5.10 117.35 116.65 2qqc s TYR 164 Ca 0.00 -0.28 0.30 0.00 -0.37 0.00 0.00 57.07 56.72 2qqc s TYR 164 Cb 0.00 -0.94 1.45 0.00 -0.40 0.00 0.00 41.96 42.08 2qqc s TYR 164 CO 0.00 -0.03 1.97 1.17 -1.57 0.00 0.00 175.55 177.10