#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 6.96 -0.42 4.04 0.15 -1.26 -4.85 113.70 118.32 3c3i s SER 3 Ca 0.00 1.29 -0.21 0.00 0.70 0.00 0.00 55.95 57.73 3c3i s SER 3 Cb 0.00 -2.37 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3c3i s SER 3 CO 0.00 0.05 0.67 -0.22 1.20 0.00 0.00 173.24 174.94 3c3i s LEU 4 N -2.02 4.39 0.11 3.45 1.98 -1.26 -4.36 118.68 120.97 3c3i s LEU 4 Ca 0.42 -0.17 -0.22 0.00 -2.89 0.00 0.00 54.13 51.27 3c3i s LEU 4 Cb -0.16 -2.79 -0.07 0.00 0.66 0.00 0.00 46.19 43.83 3c3i s LEU 4 CO 0.20 -0.76 0.66 -0.76 -1.89 0.00 0.00 176.35 173.80 3c3i s LEU 5 N 2.89 4.55 -0.01 -0.68 2.01 -1.15 -4.99 118.68 121.31 3c3i s LEU 5 Ca 0.25 1.43 0.02 0.00 0.01 0.00 0.00 54.13 55.84 3c3i s LEU 5 Cb -0.14 -3.07 -0.00 0.00 0.01 0.00 0.00 46.19 42.98 3c3i s LEU 5 CO 0.19 0.24 -0.08 -0.69 1.01 0.00 0.00 176.35 177.01 3c3i s VAL 6 N -1.07 0.66 -0.21 -1.59 1.01 -1.26 -1.72 120.40 116.22 3c3i s VAL 6 Ca 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3c3i s VAL 6 Cb -0.21 -0.57 0.06 0.00 0.00 0.00 0.00 36.38 35.66 3c3i s VAL 6 CO 0.22 0.19 -0.03 -0.75 0.00 0.00 0.00 175.10 174.74 3c3i s LYS 7 N -0.10 1.30 -0.05 2.72 2.20 0.46 -4.99 119.74 121.28 3c3i s LYS 7 Ca 0.02 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 3c3i s LYS 7 Cb -0.04 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.92 3c3i s LYS 7 CO -0.00 -0.57 1.39 0.15 -0.36 0.00 0.00 175.35 175.96 3c3i s LYS 8 N 1.58 4.26 0.10 4.03 1.02 -1.26 -0.68 119.74 128.79 3c3i s LYS 8 Ca -0.03 1.90 0.25 0.00 0.02 0.00 0.00 55.97 58.11 3c3i s LYS 8 Cb -0.17 -3.68 0.43 0.00 -0.52 0.00 0.00 37.83 33.89 3c3i s LYS 8 CO -0.07 -0.63 1.39 1.28 -0.92 0.00 0.00 175.35 176.39 3c3i n LEU 9 N 5.91 0.64 -3.83 3.17 4.77 0.73 -4.84 117.00 123.55 3c3i n LEU 9 Ca 0.14 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 3c3i n LEU 9 Cb 0.44 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 3c3i n LEU 9 CO 0.58 -0.03 -0.11 0.68 -1.33 0.00 0.00 177.39 177.19 3c3i s VAL 10 N -3.13 0.07 0.17 4.08 -7.23 -1.16 -5.01 120.40 108.20 3c3i s VAL 10 Ca 0.08 -0.61 0.15 0.00 -1.81 0.00 0.00 61.98 59.78 3c3i s VAL 10 Cb 0.14 -0.49 0.05 0.00 0.56 0.00 0.00 36.38 36.64 3c3i s VAL 10 CO 0.70 -0.34 1.64 -0.33 -0.31 0.00 0.00 175.10 176.46 3c3i h GLU 11 N 4.16 0.00 0.00 4.82 5.08 -1.90 -3.00 114.58 123.73 3c3i h GLU 11 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3c3i h GLU 11 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3c3i h GLU 11 CO 0.40 0.51 0.00 0.66 -1.00 0.00 0.00 179.01 179.58 3c3i h SER 12 N 0.00 0.00 -3.68 1.42 4.64 -1.97 -3.44 113.55 110.53 3c3i h SER 12 Ca -0.01 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.82 3c3i h SER 12 Cb 1.07 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.37 3c3i h SER 12 CO 0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.96 3c3i n ALA 13 N -2.01 -1.98 -3.06 5.18 0.00 -1.14 -4.93 120.51 112.58 3c3i n ALA 13 Ca -0.01 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.29 3c3i n ALA 13 Cb 0.18 -2.03 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 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 -2.50 3.09 0.09 0.00 2.01 -1.26 -5.07 115.64 112.00 3c3i s THR 14 Ca 0.65 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 3c3i s THR 14 Cb -0.23 -2.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.90 3c3i s THR 14 CO 0.62 0.52 1.59 -0.89 -0.69 0.00 0.00 174.62 175.77 3c3i s THR 15 N 0.33 3.03 0.29 -0.82 2.01 -1.26 -4.80 115.64 114.42 3c3i s THR 15 Ca -0.10 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 3c3i s THR 15 Cb -0.16 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 68.87 3c3i s THR 15 CO 0.06 0.01 1.59 -2.84 -0.69 0.00 0.00 174.62 172.75 3c3i s PRO 16 N 2.14 4.12 0.09 4.92 0.02 -1.26 -5.01 135.00 140.03 3c3i s PRO 16 Ca 0.71 2.58 -0.03 0.00 0.02 0.00 0.00 61.00 64.28 3c3i s PRO 16 Cb -0.40 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.07 3c3i s PRO 16 CO 0.31 -0.63 0.05 1.41 -0.33 0.00 0.00 177.00 177.81 3c3i s MET 17 N -0.50 0.79 -0.17 5.54 1.75 -1.26 -4.95 119.30 120.50 3c3i s MET 17 Ca 0.63 -1.26 -0.12 0.00 -1.25 0.00 0.00 55.69 53.69 3c3i s MET 17 Cb -0.48 0.25 -0.05 0.00 2.84 0.00 0.00 34.83 37.40 3c3i s MET 17 CO 0.48 -0.21 0.23 1.03 -0.65 0.00 0.00 175.02 175.90 3c3i s ARG 18 N -3.96 4.21 0.64 4.11 0.52 -1.26 -1.00 118.95 122.21 3c3i s ARG 18 Ca 0.13 -0.03 0.35 0.00 -0.52 0.00 0.00 55.73 55.66 3c3i s ARG 18 Cb 0.07 -3.42 1.94 0.00 0.52 0.00 0.00 34.95 34.06 3c3i s ARG 18 CO -0.05 0.28 2.16 0.78 0.02 0.00 0.00 175.30 178.48 3c3i h GLY 19 N 6.63 0.00 -1.83 -3.53 0.00 -1.95 -3.45 103.07 98.94 3c3i h GLY 19 Ca -0.41 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.01 3c3i h GLY 19 CO 0.75 0.00 0.36 -1.35 0.00 0.00 0.00 176.54 176.30 3c3i s SER 20 N -5.21 -0.14 0.16 0.19 1.04 -1.26 -5.01 113.70 103.47 3c3i s SER 20 Ca -0.04 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.57 3c3i s SER 20 Cb 0.13 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.96 3c3i s SER 20 CO 0.43 -1.26 1.71 -0.33 0.98 0.00 0.00 173.24 174.76 3c3i h GLU 21 N 2.00 0.81 -0.04 4.02 4.39 -2.03 -2.63 114.58 121.09 3c3i h GLU 21 Ca -0.25 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3c3i h GLU 21 Cb 1.24 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3c3i h GLU 21 CO 0.29 0.71 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 3c3i n GLY 22 N -0.78 -0.65 3.75 -3.84 0.00 -1.26 -4.91 105.19 97.50 3c3i n GLY 22 Ca 0.02 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.95 3.75 -0.65 4.61 0.00 -1.00 -4.92 121.76 121.61 3c3i s ALA 23 Ca 0.31 1.56 0.24 0.00 0.00 0.00 0.00 51.96 54.08 3c3i s ALA 23 Cb 0.15 -3.65 0.40 0.00 0.00 0.00 0.00 23.12 20.03 3c3i s ALA 23 CO 0.25 -0.97 1.38 0.00 0.00 0.00 0.00 175.76 176.42 3c3i h ALA 24 N 4.97 0.64 -2.55 0.00 0.00 -1.90 -3.48 119.26 116.93 3c3i h ALA 24 Ca -0.47 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 3c3i h ALA 24 Cb 1.22 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 3c3i h ALA 24 CO 0.80 0.00 -0.55 0.20 0.00 0.00 0.00 179.25 179.70 3c3i s GLY 25 N -3.66 1.06 -0.23 0.00 0.00 -1.26 -4.49 107.32 98.74 3c3i s GLY 25 Ca 0.07 -1.44 -0.08 0.00 0.00 0.00 0.00 44.72 43.27 3c3i s GLY 25 CO 0.70 -1.25 0.10 -0.19 0.00 0.00 0.00 173.10 172.46 3c3i s TYR 26 N -4.08 3.17 0.49 1.90 1.51 0.35 -4.20 117.35 116.49 3c3i s TYR 26 Ca 0.29 -0.13 -0.22 0.00 -1.01 0.00 0.00 57.07 56.00 3c3i s TYR 26 Cb 0.06 -2.22 -0.09 0.00 -0.11 0.00 0.00 41.96 39.60 3c3i s TYR 26 CO 0.06 -0.14 0.90 -0.25 -1.11 0.00 0.00 175.55 175.01 3c3i n ASP 27 N 4.49 0.69 -3.95 2.29 8.00 -0.17 -0.31 116.55 127.59 3c3i n ASP 27 Ca -0.16 0.93 -0.31 0.00 0.71 0.00 0.00 54.79 55.96 3c3i n ASP 27 Cb 0.52 -1.32 -0.15 0.00 -0.02 0.00 0.00 41.12 40.14 3c3i n ASP 27 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3c3i s ILE 28 N -1.41 1.84 0.49 0.53 -1.09 0.31 -4.20 121.20 117.67 3c3i s ILE 28 Ca 0.67 -1.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.06 3c3i s ILE 28 Cb -0.51 -2.25 -0.09 0.00 -1.58 0.00 0.00 42.46 38.03 3c3i s ILE 28 CO 0.54 -0.44 1.00 -0.44 -1.23 0.00 0.00 174.94 174.38 3c3i s SER 29 N 1.17 6.53 -0.10 3.58 0.01 -1.26 -1.62 113.70 122.00 3c3i s SER 29 Ca 0.05 1.76 -0.21 0.00 1.31 0.00 0.00 55.95 58.86 3c3i s SER 29 Cb -0.19 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3c3i s SER 29 CO -0.11 -0.65 0.59 -0.55 0.41 0.00 0.00 173.24 172.94 3c3i s SER 30 N -2.35 6.82 -0.05 2.44 0.15 0.57 -4.47 113.70 116.80 3c3i s SER 30 Ca 0.63 0.99 0.17 0.00 0.70 0.00 0.00 55.95 58.44 3c3i s SER 30 Cb -0.13 -2.35 0.59 0.00 -1.71 0.00 0.00 66.02 62.42 3c3i s SER 30 CO 0.22 -0.08 1.48 0.55 1.20 0.00 0.00 173.24 176.61 3c3i n VAL 31 N 3.83 1.19 -3.91 4.45 3.14 -0.38 0.13 118.33 126.77 3c3i n VAL 31 Ca -0.04 -0.92 -0.09 0.00 -2.96 0.00 0.00 64.34 60.33 3c3i n VAL 31 Cb 0.51 0.24 -0.07 0.00 -1.06 0.00 0.00 33.84 33.46 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 -1.48 0.98 -0.19 1.45 -1.05 -1.26 -4.83 118.70 112.31 3c3i s GLU 32 Ca 0.43 -1.07 -0.15 0.00 -0.15 0.00 0.00 54.97 54.03 3c3i s GLU 32 Cb 0.25 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.25 3c3i s GLU 32 CO 0.25 -0.33 0.36 -0.51 0.95 0.00 0.00 175.26 175.98 3c3i s ASP 33 N -2.91 6.43 0.15 0.83 -0.00 -1.26 -3.16 116.67 116.75 3c3i s ASP 33 Ca 0.11 0.50 -0.19 0.00 -0.00 0.00 0.00 52.55 52.96 3c3i s ASP 33 Cb 0.04 -2.22 0.05 0.00 -0.00 0.00 0.00 42.92 40.80 3c3i s ASP 33 CO -0.06 -0.03 0.51 0.54 -0.00 0.00 0.00 175.17 176.14 3c3i s VAL 34 N 1.08 0.03 -0.17 -1.27 0.11 0.81 -4.99 120.40 116.01 3c3i s VAL 34 Ca 0.18 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3c3i s VAL 34 Cb -0.14 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.56 3c3i s VAL 34 CO 0.07 -0.14 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.81 3c3i s VAL 35 N -3.79 2.19 -0.56 2.04 1.01 -1.26 0.27 120.40 120.30 3c3i s VAL 35 Ca 0.03 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 3c3i s VAL 35 Cb 0.00 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3c3i s VAL 35 CO -0.11 0.53 1.00 -0.69 0.00 0.00 0.00 175.10 175.84 3c3i s VAL 36 N 1.10 4.29 0.80 2.92 1.01 0.79 -4.92 120.40 126.39 3c3i s VAL 36 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 3c3i s VAL 36 Cb -0.14 -4.59 0.08 0.00 0.00 0.00 0.00 36.38 31.73 3c3i s VAL 36 CO -0.08 -1.18 1.15 -2.16 0.00 0.00 0.00 175.10 172.83 3c3i s PRO 37 N 4.20 1.81 0.29 2.72 0.04 -1.26 -1.26 135.00 141.54 3c3i s PRO 37 Ca 0.33 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 3c3i s PRO 37 Cb -0.11 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 3c3i s PRO 37 CO 0.20 -2.03 1.57 0.00 0.04 0.00 0.00 177.00 176.79 3c3i n ALA 38 N -3.44 2.41 -1.61 8.56 0.00 -1.26 -1.78 120.51 123.38 3c3i n ALA 38 Ca 0.12 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 3c3i n ALA 38 Cb 0.52 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 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 2.07 -1.46 -4.48 0.00 2.81 -0.36 -4.94 117.12 110.76 3c3i n MET 39 Ca 0.08 0.87 -0.23 0.00 -1.81 0.00 0.00 57.70 56.62 3c3i n MET 39 Cb 0.36 -5.22 -0.10 0.00 -0.71 0.00 0.00 33.22 27.56 3c3i n MET 39 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3c3i s GLY 40 N -2.25 2.26 0.45 3.03 0.00 -0.73 -4.84 107.32 105.24 3c3i s GLY 40 Ca 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 44.72 43.00 3c3i s GLY 40 CO 0.00 -1.84 0.12 1.09 0.00 0.00 0.00 173.10 172.47 3c3i s ARG 41 N -3.85 2.15 0.07 2.90 1.70 -1.26 -0.49 118.95 120.17 3c3i s ARG 41 Ca 0.32 -2.09 -0.24 0.00 -0.47 0.00 0.00 55.73 53.25 3c3i s ARG 41 Cb 0.07 -1.79 0.06 0.00 -0.57 0.00 0.00 34.95 32.73 3c3i s ARG 41 CO 0.15 -0.23 0.58 0.42 -1.08 0.00 0.00 175.30 175.14 3c3i s ILE 42 N -2.73 0.01 -0.72 4.99 -1.09 -0.29 -4.73 121.20 116.64 3c3i s ILE 42 Ca 0.29 -0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.62 3c3i s ILE 42 Cb 0.04 -1.00 0.18 0.00 -1.58 0.00 0.00 42.46 40.10 3c3i s ILE 42 CO 0.16 -0.06 0.53 0.00 -1.23 0.00 0.00 174.94 174.34 3c3i s ALA 43 N -2.70 3.84 0.43 9.38 0.00 -1.26 -1.28 121.76 130.17 3c3i s ALA 43 Ca -0.04 -3.69 -0.26 0.00 0.00 0.00 0.00 51.96 47.97 3c3i s ALA 43 Cb -0.01 -2.42 -0.09 0.00 0.00 0.00 0.00 23.12 20.61 3c3i s ALA 43 CO -0.04 -2.10 1.40 0.08 0.00 0.00 0.00 175.76 175.10 3c3i s VAL 44 N -1.09 2.24 0.26 0.00 1.01 0.11 -4.76 120.40 118.17 3c3i s VAL 44 Ca 0.23 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 3c3i s VAL 44 Cb -0.10 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 3c3i s VAL 44 CO -0.11 0.03 0.58 -0.44 0.00 0.00 0.00 175.10 175.16 3c3i s SER 45 N -0.53 6.60 0.00 3.32 0.01 -1.26 -1.87 113.70 119.97 3c3i s SER 45 Ca 0.59 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.77 3c3i s SER 45 Cb -0.42 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.58 3c3i s SER 45 CO 0.55 -0.13 0.20 0.35 0.41 0.00 0.00 173.24 174.62 3c3i n THR 46 N -0.37 0.00 -2.50 1.44 -2.24 -1.24 -1.25 114.28 108.12 3c3i n THR 46 Ca 0.00 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 3c3i n THR 46 Cb 0.53 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.60 -0.50 3.08 3.38 0.00 -1.26 -4.53 105.19 105.95 3c3i n GLY 47 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.81 0.13 0.11 -0.61 -4.36 -1.26 -0.19 121.20 112.21 3c3i s ILE 48 Ca 0.03 -1.09 0.09 0.00 -0.26 0.00 0.00 60.65 59.43 3c3i s ILE 48 Cb -0.02 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 3c3i s ILE 48 CO 0.04 -0.60 -0.24 -0.94 0.24 0.00 0.00 174.94 173.45 3c3i s SER 49 N -1.96 2.89 0.10 4.36 1.04 0.14 -0.04 113.70 120.23 3c3i s SER 49 Ca -0.08 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 3c3i s SER 49 Cb -0.03 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3c3i s SER 49 CO -0.04 0.12 0.11 0.27 0.98 0.00 0.00 173.24 174.68 3c3i s ILE 50 N -1.10 0.15 -0.32 -1.02 -4.36 -1.26 -0.40 121.20 112.89 3c3i s ILE 50 Ca 0.10 -1.57 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 3c3i s ILE 50 Cb -0.10 -1.64 0.11 0.00 1.25 0.00 0.00 42.46 42.08 3c3i s ILE 50 CO 0.05 -0.66 0.14 -0.60 0.24 0.00 0.00 174.94 174.11 3c3i s ARG 51 N -3.94 0.52 0.54 0.37 3.52 -0.70 -4.73 118.95 114.53 3c3i s ARG 51 Ca 0.12 -0.96 -0.21 0.00 -0.13 0.00 0.00 55.73 54.55 3c3i s ARG 51 Cb 0.06 -1.59 -0.05 0.00 -1.56 0.00 0.00 34.95 31.81 3c3i s ARG 51 CO -0.06 -1.04 1.21 0.14 -0.81 0.00 0.00 175.30 174.73 3c3i s VAL 52 N 1.64 2.78 1.03 7.11 -7.23 -1.26 -2.91 120.40 121.55 3c3i s VAL 52 Ca 0.11 0.53 -0.13 0.00 -1.81 0.00 0.00 61.98 60.68 3c3i s VAL 52 Cb -0.18 -3.24 0.14 0.00 0.56 0.00 0.00 36.38 33.66 3c3i s VAL 52 CO -0.25 -0.06 0.68 -0.81 -0.31 0.00 0.00 175.10 174.35 3c3i n PRO 53 N -1.11 -1.09 -2.02 4.82 -0.04 -1.26 -4.89 135.00 129.41 3c3i n PRO 53 Ca 0.11 -0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 3c3i n PRO 53 Cb 0.49 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.91 3c3i n PRO 53 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3c3i s ASP 54 N -2.25 6.02 0.00 3.54 1.11 -1.26 -3.34 116.67 120.49 3c3i s ASP 54 Ca 0.62 1.64 0.00 0.00 0.18 0.00 0.00 52.55 54.99 3c3i s ASP 54 Cb -0.21 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.27 3c3i s ASP 54 CO 0.64 -1.01 0.00 0.61 1.18 0.00 0.00 175.17 176.59 3c3i n GLY 55 N -1.65 2.11 0.78 0.21 0.00 -1.26 -4.97 105.19 100.40 3c3i n GLY 55 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 3c3i n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3c3i n THR 56 N -2.00 0.00 -3.61 2.61 -2.24 -1.21 0.32 114.28 108.15 3c3i n THR 56 Ca 0.00 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3c3i n THR 56 Cb 0.00 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 3c3i n THR 56 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3c3i s TYR 57 N -1.29 -0.33 -0.20 4.78 1.13 -0.92 -4.74 117.35 115.79 3c3i s TYR 57 Ca 0.01 0.25 -0.16 0.00 -1.41 0.00 0.00 57.07 55.77 3c3i s TYR 57 Cb -0.00 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 3c3i s TYR 57 CO 0.01 -0.64 0.39 0.20 -2.51 0.00 0.00 175.55 172.99 3c3i s GLY 58 N -2.20 2.10 -0.15 5.49 0.00 0.11 -2.82 107.32 109.86 3c3i s GLY 58 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3c3i s GLY 58 CO -0.05 0.78 -0.16 -1.60 0.00 0.00 0.00 173.10 172.07 3c3i s ARG 59 N 1.23 3.21 -0.51 2.90 3.52 -0.80 0.21 118.95 128.71 3c3i s ARG 59 Ca 0.19 -0.76 -0.25 0.00 -0.13 0.00 0.00 55.73 54.78 3c3i s ARG 59 Cb -0.15 -2.59 0.03 0.00 -1.56 0.00 0.00 34.95 30.68 3c3i s ARG 59 CO 0.08 0.04 0.97 0.42 -0.81 0.00 0.00 175.30 176.00 3c3i s ILE 60 N 0.74 4.38 0.06 4.11 -1.09 0.83 -1.89 121.20 128.34 3c3i s ILE 60 Ca -0.07 0.57 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 3c3i s ILE 60 Cb -0.16 -4.52 -0.04 0.00 -1.58 0.00 0.00 42.46 36.17 3c3i s ILE 60 CO 0.01 -1.02 0.12 0.00 -1.23 0.00 0.00 174.94 172.82 3c3i s ALA 61 N 3.99 3.71 1.21 9.38 0.00 0.10 -4.69 121.76 135.45 3c3i s ALA 61 Ca 0.35 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 3c3i s ALA 61 Cb -0.11 -1.58 0.30 0.00 0.00 0.00 0.00 23.12 21.73 3c3i s ALA 61 CO 0.23 0.77 1.16 -1.25 0.00 0.00 0.00 175.76 176.67 3c3i s PRO 62 N -2.34 -1.29 -0.13 0.00 0.04 -1.26 -1.90 135.00 128.12 3c3i s PRO 62 Ca 0.30 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.10 3c3i s PRO 62 Cb -0.12 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.82 3c3i s PRO 62 CO 0.23 -3.72 -0.21 1.03 0.04 0.00 0.00 177.00 174.37 3c3i s ARG 63 N -5.60 2.85 0.23 4.56 0.52 -1.26 -4.56 118.95 115.69 3c3i s ARG 63 Ca 0.73 -0.79 -0.15 0.00 -0.52 0.00 0.00 55.73 54.99 3c3i s ARG 63 Cb -0.06 -2.30 0.27 0.00 0.52 0.00 0.00 34.95 33.38 3c3i s ARG 63 CO 0.55 -0.00 1.57 0.66 0.02 0.00 0.00 175.30 178.10 3c3i h SER 64 N 7.27 -1.14 -0.14 0.23 4.64 -1.97 -1.70 113.55 120.74 3c3i h SER 64 Ca -0.31 0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3c3i h SER 64 Cb 1.19 0.64 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 3c3i h SER 64 CO 0.53 -0.29 -0.12 1.23 -0.87 0.00 0.00 176.83 177.31 3c3i h GLY 65 N -0.04 -2.02 1.27 -0.77 0.00 -1.98 1.05 103.07 100.57 3c3i h GLY 65 Ca 0.35 0.94 0.08 0.00 0.00 0.00 0.00 47.33 48.70 3c3i h GLY 65 CO -0.89 -0.71 0.31 1.41 0.00 0.00 0.00 176.54 176.66 3c3i h LEU 66 N -0.05 0.25 0.06 3.11 4.07 -1.79 0.14 115.31 121.11 3c3i h LEU 66 Ca 0.02 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.75 3c3i h LEU 66 Cb 0.11 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 41.82 3c3i h LEU 66 CO -0.15 0.16 -0.95 0.00 -1.08 0.00 0.00 178.44 176.42 3c3i h ALA 67 N 1.76 0.03 0.43 1.53 0.00 -0.38 -1.00 119.26 121.64 3c3i h ALA 67 Ca 0.21 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3c3i h ALA 67 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3c3i h ALA 67 CO -0.04 0.53 -0.21 -0.92 0.00 0.00 0.00 179.25 178.61 3c3i h TYR 68 N 0.08 -0.54 0.24 0.00 3.20 0.17 -1.74 116.97 118.38 3c3i h TYR 68 Ca -0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 3c3i h TYR 68 Cb 1.65 0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.10 3c3i h TYR 68 CO 0.14 -0.34 -0.12 0.87 -1.64 0.00 0.00 178.16 177.07 3c3i h LYS 69 N -0.89 -0.31 -0.42 1.82 1.57 -0.90 -3.33 116.57 114.11 3c3i h LYS 69 Ca -0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3c3i h LYS 69 Cb 0.45 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3c3i h LYS 69 CO 0.10 -0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3c3i n TYR 70 N -5.16 0.84 -3.77 -1.35 4.02 -0.83 -4.98 117.16 105.92 3c3i n TYR 70 Ca -0.09 -0.62 -0.29 0.00 -0.01 0.00 0.00 57.90 56.89 3c3i n TYR 70 Cb 0.20 -0.14 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 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 0.48 -0.49 3.50 2.72 0.00 -0.65 -4.71 105.19 106.04 3c3i n GLY 71 Ca 0.18 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.21 4.34 0.76 -0.61 -1.09 -0.44 -2.55 121.20 118.40 3c3i s ILE 72 Ca 0.60 0.10 -0.12 0.00 -2.23 0.00 0.00 60.65 59.01 3c3i s ILE 72 Cb -0.30 -4.60 0.05 0.00 -1.58 0.00 0.00 42.46 36.03 3c3i s ILE 72 CO 0.74 -1.25 1.12 -0.62 -1.23 0.00 0.00 174.94 173.70 3c3i s ASP 73 N 3.12 4.91 -0.28 3.58 3.68 -0.40 -4.08 116.67 127.21 3c3i s ASP 73 Ca 0.28 1.07 -0.01 0.00 2.13 0.00 0.00 52.55 56.02 3c3i s ASP 73 Cb -0.14 -1.76 0.09 0.00 -1.45 0.00 0.00 42.92 39.66 3c3i s ASP 73 CO 0.16 -1.67 0.08 -0.69 0.13 0.00 0.00 175.17 173.17 3c3i s VAL 74 N -3.37 0.82 0.63 1.11 1.01 -1.26 -2.49 120.40 116.85 3c3i s VAL 74 Ca 0.60 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3c3i s VAL 74 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3c3i s VAL 74 CO 0.52 -0.54 1.03 -0.76 0.00 0.00 0.00 175.10 175.35 3c3i s LEU 75 N 1.66 3.22 0.00 3.92 1.43 -0.05 -4.80 118.68 124.06 3c3i s LEU 75 Ca 0.06 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 3c3i s LEU 75 Cb -0.17 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.59 3c3i s LEU 75 CO -0.21 -0.92 0.00 0.00 0.23 0.00 0.00 176.35 175.45 3c3i n ALA 76 N -2.78 0.00 0.00 4.21 0.00 -1.26 -4.38 120.51 116.29 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.92 3.60 0.00 0.00 -1.26 -4.91 105.19 103.54 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 -2.25 4.47 -0.44 1.61 1.01 -1.26 -0.12 120.40 123.42 3c3i s VAL 78 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 3c3i s VAL 78 Cb 0.00 -4.43 0.09 0.00 0.00 0.00 0.00 36.38 32.04 3c3i s VAL 78 CO 0.00 -0.71 0.30 -0.63 0.00 0.00 0.00 175.10 174.06 3c3i s ILE 79 N 3.77 4.42 0.42 2.22 -1.09 0.56 -5.00 121.20 126.51 3c3i s ILE 79 Ca 0.41 -1.41 -0.24 0.00 -2.23 0.00 0.00 60.65 57.18 3c3i s ILE 79 Cb -0.10 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 36.96 3c3i s ILE 79 CO 0.23 -0.57 1.17 -1.81 -1.23 0.00 0.00 174.94 172.73 3c3i s ASP 80 N 2.33 6.38 0.28 3.58 1.11 -1.26 0.10 116.67 129.18 3c3i s ASP 80 Ca 0.04 2.33 0.01 0.00 0.18 0.00 0.00 52.55 55.10 3c3i s ASP 80 Cb -0.24 -2.61 0.55 0.00 1.07 0.00 0.00 42.92 41.69 3c3i s ASP 80 CO 0.02 -0.77 1.82 0.77 1.18 0.00 0.00 175.17 178.19 3c3i h SER 81 N 2.40 0.83 -0.01 0.27 4.64 -1.90 0.06 113.55 119.83 3c3i h SER 81 Ca -0.49 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3c3i h SER 81 Cb 1.24 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3c3i h SER 81 CO 0.62 0.42 0.00 -0.90 -0.87 0.00 0.00 176.83 176.10 3c3i n ASP 82 N -4.68 0.20 -4.70 4.97 5.68 -1.26 -4.55 116.55 112.21 3c3i n ASP 82 Ca 0.18 -1.25 -0.42 0.00 -0.50 0.00 0.00 54.79 52.80 3c3i n ASP 82 Cb 0.38 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.32 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 -1.99 2.95 -0.19 2.11 5.04 0.00 -4.90 117.35 120.38 3c3i s TYR 83 Ca 0.38 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.79 3c3i s TYR 83 Cb 0.18 -3.75 0.06 0.00 0.35 0.00 0.00 41.96 38.80 3c3i s TYR 83 CO 0.30 -2.77 1.05 0.54 -1.34 0.00 0.00 175.55 173.32 3c3i n ARG 84 N 4.72 2.97 -1.22 4.97 5.12 -1.26 -4.68 116.66 127.28 3c3i n ARG 84 Ca 0.13 -1.61 -0.06 0.00 -1.93 0.00 0.00 57.85 54.38 3c3i n ARG 84 Cb 0.42 -1.05 0.03 0.00 -1.16 0.00 0.00 32.46 30.70 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 -0.30 0.91 3.75 -0.13 0.00 -1.26 -4.93 105.19 103.23 3c3i n GLY 85 Ca 0.02 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.09 4.66 -0.20 1.61 2.12 -1.26 -4.37 118.70 118.17 3c3i s GLU 86 Ca 0.18 1.70 -0.29 0.00 0.36 0.00 0.00 54.97 56.92 3c3i s GLU 86 Cb -0.01 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 3c3i s GLU 86 CO 0.12 0.21 1.21 0.08 -0.54 0.00 0.00 175.26 176.34 3c3i s VAL 87 N -0.73 4.37 -0.09 3.70 1.01 0.94 -4.98 120.40 124.62 3c3i s VAL 87 Ca 0.46 1.64 0.03 0.00 0.00 0.00 0.00 61.98 64.10 3c3i s VAL 87 Cb -0.29 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 3c3i s VAL 87 CO 0.36 -0.20 -0.18 -0.54 0.00 0.00 0.00 175.10 174.55 3c3i s LYS 88 N 3.51 2.94 -0.25 2.72 1.02 -1.26 -3.59 119.74 124.83 3c3i s LYS 88 Ca 0.52 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.59 3c3i s LYS 88 Cb -0.19 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 3c3i s LYS 88 CO 0.14 0.34 0.37 0.08 -0.92 0.00 0.00 175.35 175.36 3c3i s VAL 89 N -0.02 5.19 -0.49 3.17 1.01 -0.78 -4.92 120.40 123.55 3c3i s VAL 89 Ca -0.05 0.60 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 3c3i s VAL 89 Cb -0.14 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.61 3c3i s VAL 89 CO 0.04 0.19 0.46 -0.63 0.00 0.00 0.00 175.10 175.16 3c3i s ILE 90 N 1.83 5.15 -0.16 2.22 1.01 -1.26 -0.72 121.20 129.27 3c3i s ILE 90 Ca 0.16 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3c3i s ILE 90 Cb -0.15 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 3c3i s ILE 90 CO 0.09 -0.66 0.07 -0.76 0.00 0.00 0.00 174.94 173.68 3c3i s LEU 91 N 1.88 3.89 -0.06 2.97 1.43 -0.40 -0.87 118.68 127.50 3c3i s LEU 91 Ca 0.07 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 3c3i s LEU 91 Cb -0.24 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3c3i s LEU 91 CO 0.08 0.24 -0.12 -0.47 0.23 0.00 0.00 176.35 176.30 3c3i s TYR 92 N -0.06 2.77 -0.35 0.29 6.14 -1.04 -1.14 117.35 123.97 3c3i s TYR 92 Ca 0.07 -0.17 -0.15 0.00 0.64 0.00 0.00 57.07 57.45 3c3i s TYR 92 Cb -0.12 -1.67 -0.01 0.00 0.42 0.00 0.00 41.96 40.58 3c3i s TYR 92 CO 0.01 0.17 0.36 1.21 0.64 0.00 0.00 175.55 177.94 3c3i s ASN 93 N -0.61 6.17 0.00 4.32 3.84 0.36 -1.27 114.94 127.74 3c3i s ASN 93 Ca 0.09 -0.32 0.28 0.00 0.21 0.00 0.00 52.86 53.12 3c3i s ASN 93 Cb -0.11 -2.19 1.05 0.00 -0.55 0.00 0.00 41.25 39.44 3c3i s ASN 93 CO 0.01 -0.36 1.74 0.35 -2.79 0.00 0.00 177.10 176.06 3c3i n THR 94 N 5.24 0.01 -3.87 -5.21 -2.24 -1.06 -2.13 114.28 105.04 3c3i n THR 94 Ca -0.09 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.17 3c3i n THR 94 Cb 0.49 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.99 1.57 -0.42 4.28 -4.23 -1.26 -4.85 115.64 108.74 3c3i s THR 95 Ca 0.38 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.46 3c3i s THR 95 Cb 0.21 -2.04 0.65 0.00 1.34 0.00 0.00 72.50 72.65 3c3i s THR 95 CO 0.33 0.00 1.85 -0.62 -0.54 0.00 0.00 174.62 175.64 3c3i n GLU 96 N -1.82 2.28 -3.74 3.99 -0.58 -1.26 -1.23 120.64 118.28 3c3i n GLU 96 Ca -0.01 -3.04 -0.22 0.00 -0.42 0.00 0.00 57.16 53.46 3c3i n GLU 96 Cb 0.64 -2.13 -0.18 0.00 -0.57 0.00 0.00 31.44 29.21 3c3i n GLU 96 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3c3i s ARG 97 N -3.27 0.42 0.47 3.49 0.52 -1.26 -4.91 118.95 114.40 3c3i s ARG 97 Ca 0.55 0.17 -0.22 0.00 -0.52 0.00 0.00 55.73 55.71 3c3i s ARG 97 Cb 0.47 -0.88 -0.10 0.00 0.52 0.00 0.00 34.95 34.96 3c3i s ARG 97 CO 0.09 -0.32 0.80 -0.25 0.02 0.00 0.00 175.30 175.64 3c3i n ASP 98 N 5.19 0.24 -4.04 0.23 8.00 -1.26 -4.48 116.55 120.42 3c3i n ASP 98 Ca -0.06 0.92 -0.29 0.00 0.71 0.00 0.00 54.79 56.07 3c3i n ASP 98 Cb 0.50 -1.26 -0.17 0.00 -0.02 0.00 0.00 41.12 40.17 3c3i n ASP 98 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3c3i s TYR 99 N -1.43 2.09 0.06 1.24 6.14 -0.39 -4.93 117.35 120.12 3c3i s TYR 99 Ca 0.66 -1.09 -0.19 0.00 0.64 0.00 0.00 57.07 57.09 3c3i s TYR 99 Cb -0.53 -1.52 -0.07 0.00 0.42 0.00 0.00 41.96 40.26 3c3i s TYR 99 CO 0.55 -0.59 0.54 0.42 0.64 0.00 0.00 175.55 177.12 3c3i s ILE 100 N 1.27 4.79 -0.08 3.14 1.01 -1.26 -0.15 121.20 129.91 3c3i s ILE 100 Ca -0.00 1.16 0.02 0.00 0.00 0.00 0.00 60.65 61.83 3c3i s ILE 100 Cb -0.14 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3c3i s ILE 100 CO -0.07 0.56 -0.13 -0.63 0.00 0.00 0.00 174.94 174.67 3c3i s ILE 101 N -1.10 1.25 0.23 2.92 1.01 0.14 -4.97 121.20 120.68 3c3i s ILE 101 Ca 0.28 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.47 3c3i s ILE 101 Cb -0.19 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3c3i s ILE 101 CO 0.18 0.39 0.19 -0.54 0.00 0.00 0.00 174.94 175.16 3c3i s LYS 102 N 0.80 2.95 0.06 2.79 1.02 -1.26 -0.13 119.74 125.97 3c3i s LYS 102 Ca -0.12 -0.99 -0.31 0.00 0.02 0.00 0.00 55.97 54.57 3c3i s LYS 102 Cb -0.15 -2.60 -0.10 0.00 -0.52 0.00 0.00 37.83 34.45 3c3i s LYS 102 CO 0.02 0.42 1.90 1.63 -0.92 0.00 0.00 175.35 178.40 3c3i n LYS 103 N -1.00 2.72 0.00 1.68 5.02 -1.19 -1.80 118.16 123.60 3c3i n LYS 103 Ca -0.08 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.21 3c3i n LYS 103 Cb 0.57 -2.91 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 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 4.37 1.39 3.70 0.72 0.00 0.35 -4.95 105.19 110.77 3c3i n GLY 104 Ca 0.20 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3c3i n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3c3i n ASP 105 N 0.04 2.56 -4.47 1.61 8.00 -0.74 -4.48 116.55 119.06 3c3i n ASP 105 Ca 0.00 1.13 -0.43 0.00 0.71 0.00 0.00 54.79 56.20 3c3i n ASP 105 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 41.12 39.57 3c3i n ASP 105 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3c3i s ARG 106 N -2.12 3.14 0.20 -1.24 0.52 -1.26 -0.32 118.95 117.87 3c3i s ARG 106 Ca 0.60 -0.71 0.26 0.00 -0.52 0.00 0.00 55.73 55.35 3c3i s ARG 106 Cb -0.52 -4.20 0.72 0.00 0.52 0.00 0.00 34.95 31.46 3c3i s ARG 106 CO 0.59 -1.81 1.70 0.44 0.02 0.00 0.00 175.30 176.23 3c3i n ILE 107 N 6.00 0.57 -2.92 1.52 -5.35 -0.64 -4.93 119.36 113.61 3c3i n ILE 107 Ca -0.03 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3c3i n ILE 107 Cb 0.46 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 -1.80 0.00 -3.15 -1.28 0.00 -1.09 -4.73 120.51 108.46 3c3i n ALA 108 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 3c3i n ALA 108 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.51 0.41 -0.25 0.00 -2.07 -0.80 -0.53 119.66 115.92 3c3i s GLN 109 Ca 0.00 0.05 -0.08 0.00 -1.82 0.00 0.00 55.36 53.51 3c3i s GLN 109 Cb 0.00 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 3c3i s GLN 109 CO 0.00 -0.08 0.11 -1.17 -1.32 0.00 0.00 175.29 172.82 3c3i s LEU 110 N -0.53 3.68 -0.16 2.60 2.96 0.58 -0.72 118.68 127.09 3c3i s LEU 110 Ca -0.06 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3c3i s LEU 110 Cb -0.04 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 3c3i s LEU 110 CO 0.01 -0.00 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.27 3c3i s ILE 111 N 1.44 2.70 -1.12 6.68 1.01 -0.79 -0.49 121.20 130.62 3c3i s ILE 111 Ca 0.06 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3c3i s ILE 111 Cb -0.15 -2.14 0.16 0.00 0.01 0.00 0.00 42.46 40.33 3c3i s ILE 111 CO 0.05 0.51 1.34 -0.76 0.00 0.00 0.00 174.94 176.08 3c3i s LEU 112 N 0.86 5.03 0.06 2.97 1.43 -1.26 -1.91 118.68 125.87 3c3i s LEU 112 Ca -0.04 -2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 50.07 3c3i s LEU 112 Cb -0.15 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 3c3i s LEU 112 CO -0.01 -0.85 1.13 -1.61 0.23 0.00 0.00 176.35 175.24 3c3i s GLU 113 N 1.97 4.49 0.15 1.70 2.02 -1.13 -4.81 118.70 123.09 3c3i s GLU 113 Ca 0.40 1.68 -0.30 0.00 0.02 0.00 0.00 54.97 56.76 3c3i s GLU 113 Cb -0.03 -3.36 -0.07 0.00 0.10 0.00 0.00 34.13 30.76 3c3i s GLU 113 CO -0.03 -0.16 1.14 -0.65 0.02 0.00 0.00 175.26 175.58 3c3i s GLN 114 N 0.84 4.54 0.33 1.61 -0.21 -1.26 -2.16 119.66 123.35 3c3i s GLN 114 Ca 0.56 1.75 0.05 0.00 0.02 0.00 0.00 55.36 57.73 3c3i s GLN 114 Cb -0.27 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.41 3c3i s GLN 114 CO 0.30 -0.03 0.20 0.96 -2.12 0.00 0.00 175.29 174.59 3c3i s ILE 115 N 0.10 0.24 -0.03 1.08 -4.36 0.15 -4.96 121.20 113.42 3c3i s ILE 115 Ca 0.52 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 3c3i s ILE 115 Cb -0.30 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 40.97 3c3i s ILE 115 CO 0.34 0.00 -0.02 0.54 0.24 0.00 0.00 174.94 176.04 3c3i s VAL 116 N -3.49 0.31 -0.76 8.37 0.11 -1.26 -4.62 120.40 119.06 3c3i s VAL 116 Ca 0.35 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 3c3i s VAL 116 Cb 0.03 -0.38 0.18 0.00 -1.53 0.00 0.00 36.38 34.69 3c3i s VAL 116 CO 0.20 0.17 0.57 0.42 -3.33 0.00 0.00 175.10 173.14 3c3i s THR 117 N 0.98 3.32 0.32 5.04 -4.23 -1.26 -5.08 115.64 114.73 3c3i s THR 117 Ca -0.10 -4.15 -0.04 0.00 -1.18 0.00 0.00 61.69 56.21 3c3i s THR 117 Cb -0.14 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.64 3c3i s THR 117 CO -0.01 -1.03 0.44 -0.81 -0.54 0.00 0.00 174.62 172.67 3c3i n PRO 118 N 2.09 -0.25 -2.61 3.99 -0.04 -1.26 -5.09 135.00 131.83 3c3i n PRO 118 Ca 0.20 -0.78 -0.23 0.00 -0.04 0.00 0.00 63.50 62.65 3c3i n PRO 118 Cb 0.35 -0.42 0.04 0.00 -0.04 0.00 0.00 33.50 33.43 3c3i n PRO 118 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3c3i s GLY 119 N -3.85 1.72 -0.21 0.55 0.00 -1.26 -5.08 107.32 99.19 3c3i s GLY 119 Ca 0.26 -1.13 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3c3i s GLY 119 CO 0.18 -0.85 0.00 0.14 0.00 0.00 0.00 173.10 172.57 3c3i s VAL 120 N -2.83 3.89 -0.30 1.40 1.01 -1.26 -5.08 120.40 117.23 3c3i s VAL 120 Ca 0.55 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 3c3i s VAL 120 Cb -0.10 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 3c3i s VAL 120 CO 0.40 0.41 0.12 0.00 0.00 0.00 0.00 175.10 176.03 3c3i s ALA 121 N 1.23 3.20 -0.57 5.51 0.00 -1.26 -5.06 121.76 124.81 3c3i s ALA 121 Ca 0.03 -1.41 -0.26 0.00 0.00 0.00 0.00 51.96 50.33 3c3i s ALA 121 Cb -0.15 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.72 3c3i s ALA 121 CO 0.01 -0.90 1.07 0.08 0.00 0.00 0.00 175.76 176.01 3c3i s VAL 122 N 1.57 4.20 0.35 0.00 1.01 -1.26 -5.02 120.40 121.26 3c3i s VAL 122 Ca 0.04 0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.63 3c3i s VAL 122 Cb -0.17 -4.64 0.05 0.00 0.00 0.00 0.00 36.38 31.62 3c3i s VAL 122 CO 0.05 -1.24 0.44 1.33 0.00 0.00 0.00 175.10 175.67 3c3i n VAL 123 N 6.42 0.00 0.02 2.92 0.24 -1.26 -5.07 118.33 121.60 3c3i n VAL 123 Ca 0.05 -1.23 0.02 0.00 -2.04 0.00 0.00 64.34 61.13 3c3i n VAL 123 Cb 0.48 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 32.25 3c3i n VAL 123 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3c3i n LEU 124 N 0.00 0.02 -4.13 1.34 4.32 -1.26 -5.04 117.00 112.24 3c3i n LEU 124 Ca 0.07 -0.07 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 3c3i n LEU 124 Cb 0.37 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.04 3c3i n LEU 124 CO 0.24 0.01 -0.46 -1.81 -1.22 0.00 0.00 177.39 174.14 3c3i s ASP 125 N -2.19 1.57 0.00 -1.43 -0.00 -1.26 -5.14 116.67 108.22 3c3i s ASP 125 Ca -0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 52.55 52.07 3c3i s ASP 125 Cb 0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 42.92 42.85 3c3i s ASP 125 CO 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 175.17 175.30 3c3i n LEU 126 N 1.83 0.00 0.00 1.23 -0.00 -1.26 -5.09 117.00 113.71 3c3i n LEU 126 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 3c3i n LEU 126 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 3c3i n LEU 126 CO 0.23 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.08 3c3i n SER 127 N 0.00 0.00 0.00 1.45 3.41 -1.26 -5.11 113.62 112.12 3c3i n SER 127 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3c3i n SER 127 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3c3i n SER 127 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3c3i n ASP 128 N 0.00 0.00 -4.98 4.04 9.92 -1.26 -4.93 116.55 119.34 3c3i n ASP 128 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 3c3i n ASP 128 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 3c3i n ASP 128 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3c3i s THR 129 N 0.00 2.52 -0.44 -3.53 2.01 -1.26 -5.02 115.64 109.92 3c3i s THR 129 Ca 0.00 -0.92 0.23 0.00 0.31 0.00 0.00 61.69 61.31 3c3i s THR 129 Cb 0.00 -2.60 0.25 0.00 0.01 0.00 0.00 72.50 70.17 3c3i s THR 129 CO 0.00 0.00 1.50 0.00 -0.69 0.00 0.00 174.62 175.43 3c3i h ALA 130 N 0.26 0.88 -0.06 7.40 0.00 -2.06 -3.28 119.26 122.40 3c3i h ALA 130 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3c3i h ALA 130 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3c3i h ALA 130 CO 0.43 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.70 3c3i h ARG 131 N 0.00 0.08 -0.49 0.00 3.08 -2.01 -3.48 114.38 111.56 3c3i h ARG 131 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3c3i h ARG 131 Cb 0.96 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3c3i h ARG 131 CO 0.00 0.07 -0.12 0.41 -1.07 0.00 0.00 179.97 179.26 3c3i n GLY 132 N -1.47 -3.08 3.78 0.04 0.00 -1.24 -5.00 105.19 98.22 3c3i n GLY 132 Ca -0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3c3i n GLY 132 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3c3i s SER 133 N -2.74 2.68 0.00 1.61 0.15 -1.26 -4.87 113.70 109.27 3c3i s SER 133 Ca 0.00 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.32 3c3i s SER 133 Cb 0.00 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 3c3i s SER 133 CO 0.00 -3.04 0.00 0.61 1.20 0.00 0.00 173.24 172.01 3c3i n GLY 134 N -2.32 0.68 0.00 9.45 0.00 -1.26 -5.10 105.19 106.65 3c3i n GLY 134 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3c3i n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c3i n GLY 135 N 0.00 -0.15 0.00 -0.02 0.00 -1.26 -4.91 105.19 98.84 3c3i n GLY 135 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3c3i n GLY 135 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3c3i n PHE 136 N 0.00 0.00 -0.33 1.61 3.01 -1.26 -5.27 117.46 115.22 3c3i n PHE 136 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3c3i n PHE 136 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3c3i n PHE 136 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18