#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c3i s SER 3 N 0.00 4.42 -0.37 -3.46 0.01 -1.26 -4.79 113.70 108.25 3c3i s SER 3 Ca 0.00 0.72 -0.16 0.00 1.31 0.00 0.00 55.95 57.82 3c3i s SER 3 Cb 0.00 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.04 3c3i s SER 3 CO 0.00 -1.95 0.40 -0.22 0.41 0.00 0.00 173.24 171.88 3c3i s LEU 4 N -5.58 4.58 0.34 2.44 2.96 -1.26 -4.37 118.68 117.79 3c3i s LEU 4 Ca 0.63 -0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 53.91 3c3i s LEU 4 Cb -0.10 -2.37 -0.10 0.00 0.50 0.00 0.00 46.19 44.12 3c3i s LEU 4 CO 0.49 -0.43 0.95 -0.76 -1.32 0.00 0.00 176.35 175.28 3c3i s LEU 5 N 2.08 4.28 -0.13 -0.68 1.02 -1.19 -4.98 118.68 119.07 3c3i s LEU 5 Ca 0.12 1.84 -0.05 0.00 0.02 0.00 0.00 54.13 56.06 3c3i s LEU 5 Cb -0.17 -4.09 0.07 0.00 0.02 0.00 0.00 46.19 42.02 3c3i s LEU 5 CO 0.12 -0.13 0.27 -0.69 0.02 0.00 0.00 176.35 175.94 3c3i s VAL 6 N -1.68 -0.42 -0.25 -1.59 1.01 -1.26 -2.79 120.40 113.42 3c3i s VAL 6 Ca 0.52 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 3c3i s VAL 6 Cb -0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3c3i s VAL 6 CO 0.23 0.11 0.12 -0.75 0.00 0.00 0.00 175.10 174.81 3c3i s LYS 7 N 2.42 3.84 -0.08 2.72 2.20 -0.01 -4.98 119.74 125.85 3c3i s LYS 7 Ca 0.01 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 54.99 3c3i s LYS 7 Cb -0.12 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3c3i s LYS 7 CO -0.09 -0.10 0.78 0.15 -0.36 0.00 0.00 175.35 175.72 3c3i s LYS 8 N 1.46 4.42 -0.02 4.03 1.02 -1.26 -1.90 119.74 127.49 3c3i s LYS 8 Ca 0.06 1.00 0.21 0.00 0.02 0.00 0.00 55.97 57.26 3c3i s LYS 8 Cb -0.15 -3.48 -0.28 0.00 -0.52 0.00 0.00 37.83 33.40 3c3i s LYS 8 CO 0.06 -0.05 0.65 1.28 -0.92 0.00 0.00 175.35 176.36 3c3i n LEU 9 N 4.17 0.43 -4.20 3.17 4.77 0.15 -5.00 117.00 120.49 3c3i n LEU 9 Ca 0.01 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.63 3c3i n LEU 9 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 3c3i n LEU 9 CO 0.48 0.11 -0.15 -0.69 -1.33 0.00 0.00 177.39 175.81 3c3i s VAL 10 N -3.23 0.00 0.00 4.08 1.01 -1.22 -5.02 120.40 116.02 3c3i s VAL 10 Ca -0.01 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.04 3c3i s VAL 10 Cb 0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3c3i s VAL 10 CO 0.87 0.00 0.67 1.21 0.00 0.00 0.00 175.10 177.84 3c3i n GLU 11 N -0.39 0.00 -0.51 2.72 4.07 -1.26 -3.18 120.64 122.09 3c3i n GLU 11 Ca 0.03 0.32 0.44 0.00 -0.06 0.00 0.00 57.16 57.89 3c3i n GLU 11 Cb 0.64 -1.17 0.78 0.00 -0.06 0.00 0.00 31.44 31.64 3c3i n GLU 11 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3c3i h SER 12 N 0.00 0.01 -0.58 4.31 0.87 -1.98 -3.45 113.55 112.73 3c3i h SER 12 Ca 0.00 0.01 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 3c3i h SER 12 Cb 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.02 3c3i h SER 12 CO 0.00 -0.00 -0.21 0.00 -0.53 0.00 0.00 176.83 176.08 3c3i n ALA 13 N -2.83 -2.17 -3.76 6.23 0.00 -1.19 -4.93 120.51 111.86 3c3i n ALA 13 Ca 0.35 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.74 3c3i n ALA 13 Cb 1.61 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 3c3i n ALA 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3c3i s THR 14 N -0.42 2.54 -0.24 0.00 2.01 -1.26 -5.00 115.64 113.27 3c3i s THR 14 Ca 0.42 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 3c3i s THR 14 Cb -0.60 -2.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.75 3c3i s THR 14 CO 0.33 0.51 2.20 0.41 -0.69 0.00 0.00 174.62 177.37 3c3i n THR 15 N 4.47 0.33 -1.61 -0.82 -1.04 -1.26 -4.86 114.28 109.49 3c3i n THR 15 Ca -0.20 -0.39 -0.55 0.00 -2.04 0.00 0.00 64.05 60.87 3c3i n THR 15 Cb 0.51 -2.32 -0.07 0.00 -1.82 0.00 0.00 70.33 66.63 3c3i n THR 15 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3c3i n PRO 16 N 8.52 0.91 -4.33 -2.82 -0.02 -1.26 -4.98 135.00 131.02 3c3i n PRO 16 Ca 0.32 0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 61.96 3c3i n PRO 16 Cb 0.39 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 3c3i n PRO 16 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3c3i s MET 17 N 1.15 1.44 -0.18 -0.52 1.75 -1.26 -4.86 119.30 116.82 3c3i s MET 17 Ca 0.89 -1.78 -0.04 0.00 -1.25 0.00 0.00 55.69 53.51 3c3i s MET 17 Cb -1.06 -0.32 -0.03 0.00 2.84 0.00 0.00 34.83 36.27 3c3i s MET 17 CO 0.54 -0.29 -0.02 1.03 -0.65 0.00 0.00 175.02 175.64 3c3i s ARG 18 N -4.02 3.64 0.41 4.11 0.52 -1.26 0.13 118.95 122.48 3c3i s ARG 18 Ca 0.38 -0.52 0.22 0.00 -0.52 0.00 0.00 55.73 55.29 3c3i s ARG 18 Cb 0.08 -3.01 1.21 0.00 0.52 0.00 0.00 34.95 33.75 3c3i s ARG 18 CO 0.14 0.11 1.64 0.78 0.02 0.00 0.00 175.30 177.99 3c3i h GLY 19 N 7.16 0.00 -2.98 -3.53 0.00 -1.96 -3.45 103.07 98.32 3c3i h GLY 19 Ca -0.34 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.22 3c3i h GLY 19 CO 0.62 0.00 0.66 -1.35 0.00 0.00 0.00 176.54 176.47 3c3i s SER 20 N -3.99 -0.17 0.15 0.19 1.04 -1.26 -5.02 113.70 104.65 3c3i s SER 20 Ca -0.02 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 3c3i s SER 20 Cb 0.06 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.51 3c3i s SER 20 CO 0.20 -0.52 1.63 -0.33 0.98 0.00 0.00 173.24 175.21 3c3i h GLU 21 N 2.00 -0.23 -0.61 4.02 4.39 -2.02 -1.68 114.58 120.44 3c3i h GLU 21 Ca -0.22 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3c3i h GLU 21 Cb 1.21 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3c3i h GLU 21 CO 0.27 -0.15 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 3c3i n GLY 22 N -1.37 1.38 3.73 -3.84 0.00 -1.26 -4.93 105.19 98.91 3c3i n GLY 22 Ca -0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3c3i n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c3i s ALA 23 N -1.66 3.65 0.24 4.61 0.00 -0.64 -4.92 121.76 123.04 3c3i s ALA 23 Ca 0.21 1.28 0.13 0.00 0.00 0.00 0.00 51.96 53.58 3c3i s ALA 23 Cb 0.14 -3.56 0.45 0.00 0.00 0.00 0.00 23.12 20.15 3c3i s ALA 23 CO 0.09 -0.71 1.65 0.00 0.00 0.00 0.00 175.76 176.79 3c3i h ALA 24 N 5.81 0.99 -2.72 0.00 0.00 -1.91 -3.48 119.26 117.95 3c3i h ALA 24 Ca -0.44 -0.49 -0.31 0.00 0.00 0.00 0.00 54.91 53.66 3c3i h ALA 24 Cb 1.21 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3c3i h ALA 24 CO 0.83 0.68 -0.53 0.20 0.00 0.00 0.00 179.25 180.42 3c3i s GLY 25 N -4.43 1.69 -0.02 0.00 0.00 -1.26 -4.44 107.32 98.85 3c3i s GLY 25 Ca -0.01 -1.77 -0.09 0.00 0.00 0.00 0.00 44.72 42.85 3c3i s GLY 25 CO 0.74 -1.37 0.29 -0.19 0.00 0.00 0.00 173.10 172.57 3c3i s TYR 26 N -3.87 3.63 -0.43 1.90 1.51 -0.29 -4.31 117.35 115.49 3c3i s TYR 26 Ca 0.38 0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 56.86 3c3i s TYR 26 Cb 0.05 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 3c3i s TYR 26 CO 0.17 0.64 1.45 -0.51 -1.11 0.00 0.00 175.55 176.19 3c3i s ASP 27 N -1.37 6.26 -0.10 2.29 1.01 0.35 0.86 116.67 125.97 3c3i s ASP 27 Ca 0.24 0.78 -0.19 0.00 0.71 0.00 0.00 52.55 54.09 3c3i s ASP 27 Cb -0.14 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3c3i s ASP 27 CO 0.12 -1.50 0.51 -0.63 0.21 0.00 0.00 175.17 173.88 3c3i s ILE 28 N 5.68 5.16 0.14 0.77 -1.09 -0.70 -4.29 121.20 126.87 3c3i s ILE 28 Ca 0.62 1.04 0.06 0.00 -2.23 0.00 0.00 60.65 60.14 3c3i s ILE 28 Cb -0.14 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3c3i s ILE 28 CO 0.32 0.32 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.26 3c3i s SER 29 N 0.60 2.17 0.45 3.58 1.04 -1.26 -1.06 113.70 119.21 3c3i s SER 29 Ca 0.28 -0.87 -0.21 0.00 0.48 0.00 0.00 55.95 55.63 3c3i s SER 29 Cb -0.16 -0.09 -0.10 0.00 0.10 0.00 0.00 66.02 65.78 3c3i s SER 29 CO 0.12 -0.15 0.99 -0.55 0.98 0.00 0.00 173.24 174.63 3c3i s SER 30 N -2.68 6.71 -0.10 7.02 0.15 -0.15 -4.46 113.70 120.20 3c3i s SER 30 Ca 0.13 1.80 0.14 0.00 0.70 0.00 0.00 55.95 58.71 3c3i s SER 30 Cb -0.04 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 3c3i s SER 30 CO 0.04 -0.52 1.14 0.55 1.20 0.00 0.00 173.24 175.65 3c3i n VAL 31 N -0.70 1.66 -3.90 4.45 3.14 0.09 -0.26 118.33 122.81 3c3i n VAL 31 Ca 0.08 -1.87 -0.10 0.00 -2.96 0.00 0.00 64.34 59.49 3c3i n VAL 31 Cb 0.53 -0.02 -0.09 0.00 -1.06 0.00 0.00 33.84 33.19 3c3i n VAL 31 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3c3i s GLU 32 N -2.33 0.58 -0.26 1.45 -1.05 -1.26 -4.88 118.70 110.95 3c3i s GLU 32 Ca 0.24 -0.65 -0.16 0.00 -0.15 0.00 0.00 54.97 54.25 3c3i s GLU 32 Cb 0.21 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 3c3i s GLU 32 CO 0.03 -0.15 0.40 -0.51 0.95 0.00 0.00 175.26 175.99 3c3i s ASP 33 N -1.94 6.30 0.36 0.83 1.11 -1.26 -3.45 116.67 118.62 3c3i s ASP 33 Ca -0.07 0.36 -0.00 0.00 0.18 0.00 0.00 52.55 53.01 3c3i s ASP 33 Cb -0.03 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.74 3c3i s ASP 33 CO -0.03 -0.20 0.46 0.68 1.18 0.00 0.00 175.17 177.26 3c3i s VAL 34 N 2.06 0.00 -0.07 -1.27 -7.23 0.03 -5.00 120.40 108.92 3c3i s VAL 34 Ca 0.17 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3c3i s VAL 34 Cb -0.16 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.15 3c3i s VAL 34 CO 0.10 0.00 0.03 -0.69 -0.31 0.00 0.00 175.10 174.22 3c3i s VAL 35 N -2.98 0.20 -0.64 1.32 1.01 -1.26 -0.63 120.40 117.43 3c3i s VAL 35 Ca 0.32 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 3c3i s VAL 35 Cb -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 36.00 3c3i s VAL 35 CO 0.23 0.20 1.09 -0.69 0.00 0.00 0.00 175.10 175.93 3c3i s VAL 36 N 2.04 4.11 0.66 2.92 1.01 0.36 -4.91 120.40 126.59 3c3i s VAL 36 Ca 0.05 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 3c3i s VAL 36 Cb -0.12 -4.72 -0.01 0.00 0.00 0.00 0.00 36.38 31.53 3c3i s VAL 36 CO -0.05 -1.45 1.18 -0.81 0.00 0.00 0.00 175.10 173.97 3c3i n PRO 37 N 8.25 0.94 -1.63 2.72 -0.04 -1.26 -1.80 135.00 142.18 3c3i n PRO 37 Ca 0.02 0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 3c3i n PRO 37 Cb 0.48 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.53 3c3i n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3c3i n ALA 38 N -2.03 0.39 -2.31 0.55 0.00 -1.25 -0.18 120.51 115.68 3c3i n ALA 38 Ca 0.15 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 3c3i n ALA 38 Cb 0.48 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 3c3i n ALA 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3c3i n MET 39 N 0.07 -2.62 -3.12 0.00 2.81 -0.04 -4.86 117.12 109.37 3c3i n MET 39 Ca 0.09 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.98 3c3i n MET 39 Cb 0.39 -4.59 -0.03 0.00 -0.71 0.00 0.00 33.22 28.28 3c3i n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3c3i n GLY 40 N -0.50 3.88 3.30 3.03 0.00 0.75 -4.90 105.19 110.75 3c3i n GLY 40 Ca -0.03 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 3c3i n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3c3i s ARG 41 N -2.76 1.03 0.26 1.61 1.70 -1.25 -0.19 118.95 119.34 3c3i s ARG 41 Ca 0.02 -0.81 -0.19 0.00 -0.47 0.00 0.00 55.73 54.28 3c3i s ARG 41 Cb 0.00 0.43 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 3c3i s ARG 41 CO 0.02 -0.39 0.65 0.96 -1.08 0.00 0.00 175.30 175.46 3c3i s ILE 42 N -3.83 0.00 -0.30 4.99 -4.36 -0.53 -4.83 121.20 112.34 3c3i s ILE 42 Ca 0.05 -0.97 -0.05 0.00 -0.26 0.00 0.00 60.65 59.42 3c3i s ILE 42 Cb 0.03 -1.91 0.03 0.00 1.25 0.00 0.00 42.46 41.86 3c3i s ILE 42 CO -0.11 -0.01 0.05 0.00 0.24 0.00 0.00 174.94 175.11 3c3i s ALA 43 N -3.92 2.94 0.22 2.27 0.00 -1.26 0.24 121.76 122.25 3c3i s ALA 43 Ca 0.12 -1.62 -0.14 0.00 0.00 0.00 0.00 51.96 50.32 3c3i s ALA 43 Cb -0.04 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 3c3i s ALA 43 CO 0.05 -1.13 0.62 0.08 0.00 0.00 0.00 175.76 175.38 3c3i s VAL 44 N 1.38 4.79 -0.02 0.00 1.01 -1.10 -4.83 120.40 121.63 3c3i s VAL 44 Ca -0.01 0.82 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 3c3i s VAL 44 Cb -0.18 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3c3i s VAL 44 CO 0.01 0.05 0.64 -0.44 0.00 0.00 0.00 175.10 175.36 3c3i s SER 45 N -2.02 6.99 -0.00 3.32 0.01 -1.26 -2.52 113.70 118.22 3c3i s SER 45 Ca 0.45 1.18 0.15 0.00 1.31 0.00 0.00 55.95 59.04 3c3i s SER 45 Cb -0.13 -2.39 -0.17 0.00 0.21 0.00 0.00 66.02 63.54 3c3i s SER 45 CO 0.20 0.02 0.65 0.35 0.41 0.00 0.00 173.24 174.86 3c3i n THR 46 N 3.10 0.00 -1.06 1.44 -2.24 -1.24 -0.74 114.28 113.55 3c3i n THR 46 Ca -0.05 -0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 3c3i n THR 46 Cb 0.51 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 3c3i n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c3i n GLY 47 N 1.38 0.36 3.08 3.38 0.00 -1.26 -4.52 105.19 107.60 3c3i n GLY 47 Ca 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3c3i n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3c3i s ILE 48 N -1.52 0.28 0.04 -0.61 -4.36 -1.26 0.33 121.20 114.10 3c3i s ILE 48 Ca 0.00 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 58.83 3c3i s ILE 48 Cb 0.00 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.42 3c3i s ILE 48 CO 0.00 -0.86 -0.18 -0.94 0.24 0.00 0.00 174.94 173.19 3c3i s SER 49 N -2.61 2.20 0.21 4.36 1.04 -0.80 -1.02 113.70 117.08 3c3i s SER 49 Ca 0.03 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.96 3c3i s SER 49 Cb 0.04 -0.17 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 3c3i s SER 49 CO -0.07 0.11 0.06 0.27 0.98 0.00 0.00 173.24 174.59 3c3i s ILE 50 N -0.83 0.54 -0.34 -1.02 -4.36 -1.26 -0.83 121.20 113.10 3c3i s ILE 50 Ca 0.05 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 3c3i s ILE 50 Cb -0.09 -2.40 0.12 0.00 1.25 0.00 0.00 42.46 41.35 3c3i s ILE 50 CO 0.02 -0.21 0.17 -0.60 0.24 0.00 0.00 174.94 174.56 3c3i s ARG 51 N -4.00 0.57 0.57 0.37 3.52 -1.12 -4.72 118.95 114.14 3c3i s ARG 51 Ca 0.32 -1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 54.57 3c3i s ARG 51 Cb 0.07 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.91 3c3i s ARG 51 CO 0.09 -1.11 1.24 0.14 -0.81 0.00 0.00 175.30 174.85 3c3i s VAL 52 N 1.36 2.54 0.42 7.11 -7.23 -1.26 -3.20 120.40 120.14 3c3i s VAL 52 Ca 0.14 0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 60.42 3c3i s VAL 52 Cb -0.20 -3.16 -0.10 0.00 0.56 0.00 0.00 36.38 33.48 3c3i s VAL 52 CO -0.14 -0.05 1.17 -2.65 -0.31 0.00 0.00 175.10 173.11 3c3i n PRO 53 N -1.34 1.69 -1.00 4.82 -0.02 -1.26 -4.82 135.00 133.05 3c3i n PRO 53 Ca 0.12 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 3c3i n PRO 53 Cb 0.48 -2.24 0.11 0.00 -0.02 0.00 0.00 33.50 31.84 3c3i n PRO 53 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3c3i n ASP 54 N 0.33 -0.61 -0.00 2.55 9.92 -1.26 -2.50 116.55 124.98 3c3i n ASP 54 Ca 0.08 0.49 -0.00 0.00 -0.53 0.00 0.00 54.79 54.83 3c3i n ASP 54 Cb 0.39 -1.33 -0.00 0.00 -0.64 0.00 0.00 41.12 39.54 3c3i n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3c3i n GLY 55 N 1.11 0.49 3.71 0.44 0.00 -1.26 -4.97 105.19 104.71 3c3i n GLY 55 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3c3i n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3c3i s THR 56 N -1.98 0.00 0.08 2.61 -4.23 -1.04 -2.37 115.64 108.71 3c3i s THR 56 Ca 0.00 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 3c3i s THR 56 Cb 0.00 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 3c3i s THR 56 CO 0.00 0.00 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.30 3c3i s TYR 57 N -3.64 0.77 -0.18 3.99 1.13 -0.79 -4.47 117.35 114.18 3c3i s TYR 57 Ca 0.18 -0.84 -0.14 0.00 -1.41 0.00 0.00 57.07 54.86 3c3i s TYR 57 Cb -0.03 -0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 40.32 3c3i s TYR 57 CO 0.10 -0.17 0.29 0.20 -2.51 0.00 0.00 175.55 173.45 3c3i s GLY 58 N -2.68 2.16 -0.22 5.49 0.00 -0.81 -2.07 107.32 109.20 3c3i s GLY 58 Ca 0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 3c3i s GLY 58 CO -0.04 0.47 0.09 -1.60 0.00 0.00 0.00 173.10 172.02 3c3i s ARG 59 N 0.64 3.92 -0.33 2.90 3.00 0.50 -1.58 118.95 128.00 3c3i s ARG 59 Ca 0.16 -0.36 -0.26 0.00 -1.00 0.00 0.00 55.73 54.27 3c3i s ARG 59 Cb -0.13 -3.34 0.01 0.00 0.00 0.00 0.00 34.95 31.49 3c3i s ARG 59 CO 0.04 0.09 0.90 0.42 0.00 0.00 0.00 175.30 176.76 3c3i s ILE 60 N 0.89 4.66 0.14 4.11 -1.09 0.30 -1.30 121.20 128.90 3c3i s ILE 60 Ca 0.05 1.32 0.08 0.00 -2.23 0.00 0.00 60.65 59.87 3c3i s ILE 60 Cb -0.13 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 3c3i s ILE 60 CO 0.03 -0.40 -0.09 0.00 -1.23 0.00 0.00 174.94 173.24 3c3i s ALA 61 N 3.29 2.96 0.41 9.38 0.00 0.19 -4.70 121.76 133.29 3c3i s ALA 61 Ca 0.37 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 3c3i s ALA 61 Cb -0.13 -0.83 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 3c3i s ALA 61 CO 0.15 0.55 1.31 -2.14 0.00 0.00 0.00 175.76 175.63 3c3i s PRO 62 N -2.54 3.94 -0.10 0.00 0.02 -1.26 -1.75 135.00 133.31 3c3i s PRO 62 Ca 0.23 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 63.26 3c3i s PRO 62 Cb -0.10 -2.74 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 3c3i s PRO 62 CO 0.15 -0.52 0.38 1.03 -0.33 0.00 0.00 177.00 177.71 3c3i s ARG 63 N -2.27 4.17 0.15 5.54 0.52 -1.26 -4.77 118.95 121.03 3c3i s ARG 63 Ca 0.57 0.30 -0.24 0.00 -0.52 0.00 0.00 55.73 55.84 3c3i s ARG 63 Cb -0.38 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 31.74 3c3i s ARG 63 CO 0.49 0.34 1.61 1.03 0.02 0.00 0.00 175.30 178.79 3c3i h SER 64 N 6.13 -0.98 -0.02 0.23 0.87 -1.98 -2.60 113.55 115.19 3c3i h SER 64 Ca -0.44 0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 3c3i h SER 64 Cb 1.19 0.44 -0.05 0.00 -0.44 0.00 0.00 62.40 63.53 3c3i h SER 64 CO 0.71 -0.33 -0.36 1.23 -0.53 0.00 0.00 176.83 177.56 3c3i h GLY 65 N -0.31 -0.61 1.89 5.77 0.00 -2.00 -1.06 103.07 106.75 3c3i h GLY 65 Ca 0.13 0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.91 3c3i h GLY 65 CO -0.43 -0.24 0.04 1.41 0.00 0.00 0.00 176.54 177.33 3c3i h LEU 66 N -0.50 0.00 0.21 3.11 4.07 -1.92 -1.90 115.31 118.37 3c3i h LEU 66 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3c3i h LEU 66 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 3c3i h LEU 66 CO -0.30 0.00 -0.10 0.00 -1.08 0.00 0.00 178.44 176.96 3c3i h ALA 67 N 1.96 -0.28 -0.39 1.53 0.00 -0.90 -2.12 119.26 119.06 3c3i h ALA 67 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3c3i h ALA 67 Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3c3i h ALA 67 CO -0.00 -0.32 0.12 -0.92 0.00 0.00 0.00 179.25 178.12 3c3i h TYR 68 N -0.94 0.64 0.09 0.00 3.20 -1.10 -0.77 116.97 118.08 3c3i h TYR 68 Ca -0.03 -0.07 -0.27 0.00 3.14 0.00 0.00 58.73 61.50 3c3i h TYR 68 Cb 0.47 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3c3i h TYR 68 CO 0.06 0.60 -1.31 0.87 -1.64 0.00 0.00 178.16 176.74 3c3i h LYS 69 N 0.48 0.18 0.00 1.82 1.57 -1.50 -3.39 116.57 115.73 3c3i h LYS 69 Ca 0.13 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3c3i h LYS 69 Cb 0.27 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3c3i h LYS 69 CO -0.00 1.08 0.00 0.66 -0.57 0.00 0.00 179.45 180.62 3c3i n TYR 70 N -3.43 0.00 -3.58 -1.35 4.02 -0.82 -5.02 117.16 106.97 3c3i n TYR 70 Ca -0.10 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.39 3c3i n TYR 70 Cb 1.01 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 40.37 3c3i n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3c3i n GLY 71 N -0.21 -0.33 3.57 2.72 0.00 -0.29 -4.51 105.19 106.14 3c3i n GLY 71 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3c3i n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c3i s ILE 72 N -3.52 5.27 0.17 -0.61 -1.09 -1.06 -1.02 121.20 119.33 3c3i s ILE 72 Ca 0.01 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.55 3c3i s ILE 72 Cb -0.01 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3c3i s ILE 72 CO 0.77 0.12 0.28 -0.62 -1.23 0.00 0.00 174.94 174.26 3c3i s ASP 73 N 1.73 6.25 -0.39 3.58 3.68 0.11 -4.33 116.67 127.30 3c3i s ASP 73 Ca 0.08 0.12 -0.02 0.00 2.13 0.00 0.00 52.55 54.86 3c3i s ASP 73 Cb -0.16 -1.85 0.10 0.00 -1.45 0.00 0.00 42.92 39.55 3c3i s ASP 73 CO 0.11 0.03 0.16 -0.69 0.13 0.00 0.00 175.17 174.91 3c3i s VAL 74 N -1.79 3.20 0.90 1.11 1.01 -1.26 -0.92 120.40 122.66 3c3i s VAL 74 Ca 0.34 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 3c3i s VAL 74 Cb -0.11 -3.14 0.13 0.00 0.00 0.00 0.00 36.38 33.26 3c3i s VAL 74 CO 0.28 -0.59 1.12 -0.76 0.00 0.00 0.00 175.10 175.16 3c3i s LEU 75 N 1.15 2.07 0.00 3.92 1.43 -0.91 -4.77 118.68 121.57 3c3i s LEU 75 Ca 0.06 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 3c3i s LEU 75 Cb -0.22 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3c3i s LEU 75 CO -0.04 -2.53 0.00 0.00 0.23 0.00 0.00 176.35 174.01 3c3i n ALA 76 N -3.77 0.00 0.00 4.21 0.00 -1.26 -4.51 120.51 115.18 3c3i n ALA 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3c3i n ALA 76 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3c3i n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c3i n GLY 77 N 0.00 0.99 3.55 0.00 0.00 -1.26 -4.93 105.19 103.54 3c3i n GLY 77 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3c3i n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c3i s VAL 78 N -2.17 4.79 -0.30 1.61 1.01 -1.26 -0.54 120.40 123.53 3c3i s VAL 78 Ca 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 3c3i s VAL 78 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3c3i s VAL 78 CO 0.00 -0.53 0.10 -0.63 0.00 0.00 0.00 175.10 174.04 3c3i s ILE 79 N 2.95 4.19 0.56 2.22 1.01 -0.62 -5.04 121.20 126.48 3c3i s ILE 79 Ca 0.26 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 3c3i s ILE 79 Cb -0.14 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 3c3i s ILE 79 CO 0.19 0.09 1.02 -1.81 0.00 0.00 0.00 174.94 174.43 3c3i s ASP 80 N 1.54 6.22 0.31 3.58 1.11 -1.26 -1.92 116.67 126.26 3c3i s ASP 80 Ca 0.04 1.65 0.25 0.00 0.18 0.00 0.00 52.55 54.67 3c3i s ASP 80 Cb -0.17 -2.51 1.07 0.00 1.07 0.00 0.00 42.92 42.38 3c3i s ASP 80 CO 0.04 -0.87 1.75 0.77 1.18 0.00 0.00 175.17 178.04 3c3i h SER 81 N 0.56 0.00 0.03 0.27 4.64 -1.88 -2.71 113.55 114.46 3c3i h SER 81 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3c3i h SER 81 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3c3i h SER 81 CO 0.60 0.00 -0.76 -0.90 -0.87 0.00 0.00 176.83 174.90 3c3i n ASP 82 N -2.36 1.35 -4.75 4.97 5.68 -1.26 -4.55 116.55 115.63 3c3i n ASP 82 Ca 0.01 -1.15 -0.41 0.00 -0.50 0.00 0.00 54.79 52.74 3c3i n ASP 82 Cb 0.22 0.74 -0.02 0.00 -1.14 0.00 0.00 41.12 40.92 3c3i n ASP 82 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3c3i s TYR 83 N -2.79 2.89 0.00 2.11 5.04 -1.02 -4.93 117.35 118.64 3c3i s TYR 83 Ca 0.13 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 3c3i s TYR 83 Cb 0.17 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.56 3c3i s TYR 83 CO 0.74 -2.99 0.45 0.54 -1.34 0.00 0.00 175.55 172.95 3c3i n ARG 84 N 2.04 -0.42 -1.50 4.97 5.12 -1.26 -4.75 116.66 120.86 3c3i n ARG 84 Ca 0.06 -0.45 -0.23 0.00 -1.93 0.00 0.00 57.85 55.31 3c3i n ARG 84 Cb 0.39 -0.95 0.16 0.00 -1.16 0.00 0.00 32.46 30.90 3c3i n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3c3i n GLY 85 N 0.07 -1.34 3.77 -0.13 0.00 -1.26 -4.82 105.19 101.47 3c3i n GLY 85 Ca 0.00 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 3c3i n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c3i s GLU 86 N -5.22 3.93 -0.22 1.61 2.12 -1.26 -4.43 118.70 115.23 3c3i s GLU 86 Ca 0.58 1.82 -0.28 0.00 0.36 0.00 0.00 54.97 57.45 3c3i s GLU 86 Cb -0.02 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.81 3c3i s GLU 86 CO 0.41 -0.42 0.96 0.08 -0.54 0.00 0.00 175.26 175.75 3c3i s VAL 87 N -1.47 4.75 -0.03 3.70 1.01 -0.19 -4.98 120.40 123.20 3c3i s VAL 87 Ca 0.60 1.88 0.02 0.00 0.00 0.00 0.00 61.98 64.47 3c3i s VAL 87 Cb -0.30 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 3c3i s VAL 87 CO 0.37 -0.12 -0.05 -0.54 0.00 0.00 0.00 175.10 174.76 3c3i s LYS 88 N 2.90 2.68 -0.56 2.72 -0.14 -1.26 -3.61 119.74 122.47 3c3i s LYS 88 Ca 0.42 -0.63 -0.03 0.00 -1.36 0.00 0.00 55.97 54.37 3c3i s LYS 88 Cb -0.16 -2.58 0.15 0.00 -1.68 0.00 0.00 37.83 33.56 3c3i s LYS 88 CO 0.08 0.63 0.38 0.08 -0.76 0.00 0.00 175.35 175.76 3c3i s VAL 89 N -0.95 3.63 -0.03 3.17 1.01 -1.05 -4.88 120.40 121.30 3c3i s VAL 89 Ca 0.16 -2.68 -0.30 0.00 0.00 0.00 0.00 61.98 59.16 3c3i s VAL 89 Cb -0.11 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3c3i s VAL 89 CO 0.06 -0.83 1.64 -0.63 0.00 0.00 0.00 175.10 175.34 3c3i s ILE 90 N 0.31 3.50 -0.12 2.22 1.09 -1.25 -2.71 121.20 124.25 3c3i s ILE 90 Ca 0.14 0.69 0.01 0.00 -1.10 0.00 0.00 60.65 60.40 3c3i s ILE 90 Cb -0.21 -3.45 -0.01 0.00 -1.06 0.00 0.00 42.46 37.73 3c3i s ILE 90 CO -0.04 -0.05 -0.17 -0.76 -0.10 0.00 0.00 174.94 173.83 3c3i s LEU 91 N 3.68 2.50 -0.20 2.97 1.43 0.14 -2.14 118.68 127.05 3c3i s LEU 91 Ca 0.73 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 3c3i s LEU 91 Cb -0.34 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3c3i s LEU 91 CO 0.30 0.17 -0.01 -0.47 0.23 0.00 0.00 176.35 176.58 3c3i s TYR 92 N 0.29 3.03 -0.49 0.29 5.04 -0.09 -1.45 117.35 123.96 3c3i s TYR 92 Ca -0.13 -0.50 -0.20 0.00 -2.44 0.00 0.00 57.07 53.80 3c3i s TYR 92 Cb -0.16 -2.08 0.05 0.00 0.35 0.00 0.00 41.96 40.11 3c3i s TYR 92 CO 0.07 -0.26 0.68 1.21 -1.34 0.00 0.00 175.55 175.90 3c3i s ASN 93 N 1.03 6.27 0.00 4.32 3.84 0.73 0.07 114.94 131.20 3c3i s ASN 93 Ca 0.02 -0.65 0.29 0.00 0.21 0.00 0.00 52.86 52.73 3c3i s ASN 93 Cb -0.14 -2.32 1.46 0.00 -0.55 0.00 0.00 41.25 39.69 3c3i s ASN 93 CO 0.01 -0.92 2.01 0.35 -2.79 0.00 0.00 177.10 175.77 3c3i n THR 94 N 5.78 0.04 -2.99 -5.21 -2.24 -0.19 -1.55 114.28 107.92 3c3i n THR 94 Ca -0.04 0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 3c3i n THR 94 Cb 0.46 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 3c3i n THR 94 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3c3i s THR 95 N -2.60 4.01 -0.75 4.28 -4.23 -1.26 -4.72 115.64 110.37 3c3i s THR 95 Ca 0.27 -0.50 0.26 0.00 -1.18 0.00 0.00 61.69 60.54 3c3i s THR 95 Cb 0.20 -3.48 0.27 0.00 1.34 0.00 0.00 72.50 70.83 3c3i s THR 95 CO 0.45 -0.34 1.78 -0.62 -0.54 0.00 0.00 174.62 175.36 3c3i n GLU 96 N -2.07 0.21 -3.82 3.99 -0.58 -1.26 -0.86 120.64 116.25 3c3i n GLU 96 Ca 0.01 0.21 -0.30 0.00 -0.42 0.00 0.00 57.16 56.66 3c3i n GLU 96 Cb 0.58 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 29.65 3c3i n GLU 96 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3c3i s ARG 97 N -3.11 3.50 0.99 3.49 3.52 -1.26 -4.72 118.95 121.37 3c3i s ARG 97 Ca 0.10 -0.34 -0.14 0.00 -0.13 0.00 0.00 55.73 55.22 3c3i s ARG 97 Cb 0.13 -2.94 0.19 0.00 -1.56 0.00 0.00 34.95 30.76 3c3i s ARG 97 CO 0.55 0.52 1.15 -0.51 -0.81 0.00 0.00 175.30 176.20 3c3i s ASP 98 N -2.68 2.77 -0.13 -2.12 1.11 -1.26 -3.82 116.67 110.55 3c3i s ASP 98 Ca 0.37 0.83 -0.06 0.00 0.18 0.00 0.00 52.55 53.88 3c3i s ASP 98 Cb -0.12 -1.29 0.06 0.00 1.07 0.00 0.00 42.92 42.64 3c3i s ASP 98 CO 0.27 -3.00 0.28 -0.47 1.18 0.00 0.00 175.17 173.43 3c3i s TYR 99 N -3.25 -0.42 -0.18 4.23 6.14 -0.75 -4.86 117.35 118.26 3c3i s TYR 99 Ca 0.67 0.95 -0.09 0.00 0.64 0.00 0.00 57.07 59.24 3c3i s TYR 99 Cb -0.13 0.06 -0.05 0.00 0.42 0.00 0.00 41.96 42.27 3c3i s TYR 99 CO 0.54 -0.30 0.13 0.42 0.64 0.00 0.00 175.55 176.98 3c3i s ILE 100 N 1.71 5.38 -0.14 3.14 1.01 -1.26 -0.48 121.20 130.57 3c3i s ILE 100 Ca -0.06 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3c3i s ILE 100 Cb -0.11 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3c3i s ILE 100 CO -0.09 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.54 3c3i s ILE 101 N -0.01 2.60 0.06 2.92 1.01 0.20 -5.01 121.20 122.97 3c3i s ILE 101 Ca 0.10 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3c3i s ILE 101 Cb -0.11 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3c3i s ILE 101 CO -0.00 0.53 0.06 -0.54 0.00 0.00 0.00 174.94 174.99 3c3i s LYS 102 N 0.59 2.85 0.28 2.79 1.02 -1.26 -0.79 119.74 125.21 3c3i s LYS 102 Ca -0.10 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 3c3i s LYS 102 Cb -0.16 -2.71 -0.14 0.00 -0.52 0.00 0.00 37.83 34.30 3c3i s LYS 102 CO 0.03 0.58 1.05 1.63 -0.92 0.00 0.00 175.35 177.72 3c3i n LYS 103 N 0.64 1.42 0.00 1.68 5.02 -1.22 -1.52 118.16 124.17 3c3i n LYS 103 Ca -0.10 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3c3i n LYS 103 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3c3i n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c3i n GLY 104 N 1.28 1.98 3.76 0.72 0.00 0.65 -4.98 105.19 108.61 3c3i n GLY 104 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3c3i n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3c3i s ASP 105 N -1.93 7.01 -0.49 1.61 1.01 -0.58 -4.71 116.67 118.59 3c3i s ASP 105 Ca 0.00 2.45 -0.28 0.00 0.71 0.00 0.00 52.55 55.42 3c3i s ASP 105 Cb 0.00 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3c3i s ASP 105 CO 0.00 -0.34 1.36 -0.13 0.21 0.00 0.00 175.17 176.27 3c3i s ARG 106 N -1.66 3.48 0.03 8.23 3.00 -1.26 -0.98 118.95 129.79 3c3i s ARG 106 Ca 0.47 0.64 0.23 0.00 0.00 0.00 0.00 55.73 57.07 3c3i s ARG 106 Cb -0.35 -4.05 0.07 0.00 0.00 0.00 0.00 34.95 30.62 3c3i s ARG 106 CO 0.46 -1.71 1.05 0.44 0.00 0.00 0.00 175.30 175.54 3c3i n ILE 107 N 6.94 0.12 -3.21 1.52 -5.35 -0.22 -4.96 119.36 114.19 3c3i n ILE 107 Ca 0.14 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3c3i n ILE 107 Cb 0.49 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 3c3i n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3c3i n ALA 108 N -1.75 0.00 -3.41 -1.28 0.00 -0.89 -4.59 120.51 108.59 3c3i n ALA 108 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 3c3i n ALA 108 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 3c3i n ALA 108 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3c3i s GLN 109 N -1.31 0.15 -0.45 0.00 -2.07 -0.72 -1.72 119.66 113.54 3c3i s GLN 109 Ca 0.00 0.32 -0.20 0.00 -1.82 0.00 0.00 55.36 53.66 3c3i s GLN 109 Cb 0.00 -0.05 0.03 0.00 -1.09 0.00 0.00 33.01 31.90 3c3i s GLN 109 CO 0.00 -0.10 0.63 -1.17 -1.32 0.00 0.00 175.29 173.33 3c3i s LEU 110 N 0.67 4.58 -0.17 2.60 2.96 0.25 -0.64 118.68 128.94 3c3i s LEU 110 Ca -0.05 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 3c3i s LEU 110 Cb -0.06 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 3c3i s LEU 110 CO -0.03 -0.79 0.17 -0.63 -1.32 0.00 0.00 176.35 173.75 3c3i s ILE 111 N 2.77 5.40 -0.71 6.68 1.01 -0.42 -1.13 121.20 134.80 3c3i s ILE 111 Ca 0.21 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 3c3i s ILE 111 Cb -0.15 -3.49 0.15 0.00 0.01 0.00 0.00 42.46 38.98 3c3i s ILE 111 CO 0.18 0.48 0.76 -0.76 0.00 0.00 0.00 174.94 175.60 3c3i s LEU 112 N 0.01 5.87 -0.11 2.97 1.43 -1.26 -0.37 118.68 127.21 3c3i s LEU 112 Ca 0.12 -1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 51.08 3c3i s LEU 112 Cb -0.12 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3c3i s LEU 112 CO 0.01 -0.91 0.40 -1.61 0.23 0.00 0.00 176.35 174.47 3c3i s GLU 113 N 1.76 4.22 0.12 1.70 2.02 -0.88 -4.93 118.70 122.72 3c3i s GLU 113 Ca 0.16 0.32 -0.30 0.00 0.02 0.00 0.00 54.97 55.17 3c3i s GLU 113 Cb -0.18 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 3c3i s GLU 113 CO -0.01 0.29 1.00 -0.65 0.02 0.00 0.00 175.26 175.90 3c3i s GLN 114 N 0.23 4.67 0.21 1.61 -0.21 -1.26 -1.88 119.66 123.03 3c3i s GLN 114 Ca 0.22 1.51 0.03 0.00 0.02 0.00 0.00 55.36 57.14 3c3i s GLN 114 Cb -0.15 -3.36 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 3c3i s GLN 114 CO 0.09 0.17 0.11 0.44 -2.12 0.00 0.00 175.29 173.97 3c3i n ILE 115 N 2.78 0.00 -4.05 1.08 -5.35 -1.00 -4.98 119.36 107.84 3c3i n ILE 115 Ca 0.03 -1.32 -0.13 0.00 -0.27 0.00 0.00 62.75 61.07 3c3i n ILE 115 Cb 0.49 0.55 -0.12 0.00 -1.74 0.00 0.00 39.64 38.82 3c3i n ILE 115 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3c3i s VAL 116 N -2.53 0.40 -0.39 7.28 -7.23 -1.26 -4.74 120.40 111.92 3c3i s VAL 116 Ca 0.16 -0.85 0.12 0.00 -1.81 0.00 0.00 61.98 59.60 3c3i s VAL 116 Cb 0.01 -0.46 0.41 0.00 0.56 0.00 0.00 36.38 36.90 3c3i s VAL 116 CO 0.11 -0.30 0.94 0.35 -0.31 0.00 0.00 175.10 175.89 3c3i n THR 117 N 1.82 1.34 -1.15 5.32 -2.24 -1.26 -5.10 114.28 113.01 3c3i n THR 117 Ca -0.21 -4.16 -0.29 0.00 -2.27 0.00 0.00 64.05 57.12 3c3i n THR 117 Cb 0.56 -0.27 0.16 0.00 -2.10 0.00 0.00 70.33 68.68 3c3i n THR 117 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3c3i s PRO 118 N -3.12 0.76 0.96 -0.78 0.04 -1.26 -5.00 135.00 126.60 3c3i s PRO 118 Ca 0.38 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 3c3i s PRO 118 Cb 0.40 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 33.35 3c3i s PRO 118 CO -0.06 -2.55 1.09 0.20 0.04 0.00 0.00 177.00 175.71 3c3i s GLY 119 N -3.39 1.59 -0.21 0.56 0.00 -1.26 -5.03 107.32 99.59 3c3i s GLY 119 Ca 0.65 -0.19 -0.03 0.00 0.00 0.00 0.00 44.72 45.14 3c3i s GLY 119 CO 0.58 0.37 -0.06 0.14 0.00 0.00 0.00 173.10 174.12 3c3i s VAL 120 N -2.91 3.26 0.02 1.40 1.01 -1.26 -5.11 120.40 116.82 3c3i s VAL 120 Ca 0.65 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3c3i s VAL 120 Cb -0.19 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3c3i s VAL 120 CO 0.58 0.44 0.01 0.00 0.00 0.00 0.00 175.10 176.12 3c3i s ALA 121 N 1.38 3.31 -0.15 5.51 0.00 -1.26 -5.10 121.76 125.44 3c3i s ALA 121 Ca 0.05 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3c3i s ALA 121 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3c3i s ALA 121 CO -0.04 0.67 0.07 0.08 0.00 0.00 0.00 175.76 176.54 3c3i s VAL 122 N -1.15 4.87 0.38 0.00 1.01 -1.26 -5.09 120.40 119.15 3c3i s VAL 122 Ca 0.21 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3c3i s VAL 122 Cb -0.12 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3c3i s VAL 122 CO 0.13 0.52 0.14 0.68 0.00 0.00 0.00 175.10 176.56 3c3i s VAL 123 N -0.12 0.54 -0.03 2.92 -7.23 -1.26 -5.04 120.40 110.18 3c3i s VAL 123 Ca 0.07 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.39 3c3i s VAL 123 Cb -0.12 -2.43 -0.22 0.00 0.56 0.00 0.00 36.38 34.17 3c3i s VAL 123 CO 0.01 0.00 0.29 0.18 -0.31 0.00 0.00 175.10 175.27 3c3i n LEU 124 N -0.81 0.00 -3.66 1.32 4.32 -1.26 -4.93 117.00 111.99 3c3i n LEU 124 Ca -0.03 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.76 3c3i n LEU 124 Cb 0.65 0.03 -0.17 0.00 -1.62 0.00 0.00 43.42 42.31 3c3i n LEU 124 CO 0.36 0.03 -0.31 -0.62 -1.22 0.00 0.00 177.39 175.63 3c3i s ASP 125 N -3.76 1.19 0.33 -1.43 3.68 -1.26 -5.01 116.67 110.42 3c3i s ASP 125 Ca -0.05 0.05 0.23 0.00 2.13 0.00 0.00 52.55 54.91 3c3i s ASP 125 Cb 0.09 -0.03 0.18 0.00 -1.45 0.00 0.00 42.92 41.71 3c3i s ASP 125 CO 0.60 -0.26 1.35 -0.07 0.13 0.00 0.00 175.17 176.91 3c3i h LEU 126 N 8.42 0.00-10.51 -1.34 3.38 -2.03 -3.46 115.31 109.75 3c3i h LEU 126 Ca -0.13 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.37 3c3i h LEU 126 Cb 1.12 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.95 3c3i h LEU 126 CO 0.17 0.00 0.25 -0.44 0.09 0.00 0.00 178.44 178.51 3c3i s SER 127 N -5.82 5.15 0.00 -0.43 0.01 -1.26 -5.22 113.70 106.12 3c3i s SER 127 Ca 0.04 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.95 3c3i s SER 127 Cb 0.07 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.87 3c3i s SER 127 CO 0.73 -1.40 0.00 -0.67 0.41 0.00 0.00 173.24 172.31