#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c3i n SER 3 N 0.00 2.62 -4.35 4.04 7.64 -1.26 -4.95 113.62 117.36 3c3i n SER 3 Ca 0.00 -2.81 -0.45 0.00 1.01 0.00 0.00 58.87 56.62 3c3i n SER 3 Cb 0.00 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 3c3i n SER 3 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3c3i s LEU 4 N 0.00 5.89 -0.06 -3.43 0.20 -1.26 -4.26 118.68 115.75 3c3i s LEU 4 Ca 0.37 -1.80 -0.30 0.00 0.69 0.00 0.00 54.13 53.10 3c3i s LEU 4 Cb -0.03 -2.26 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 3c3i s LEU 4 CO 0.24 -0.93 1.27 -0.76 -0.29 0.00 0.00 176.35 175.87 3c3i s LEU 5 N 1.89 4.27 -0.04 -0.68 1.43 -1.03 -4.95 118.68 119.57 3c3i s LEU 5 Ca 0.10 1.88 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 3c3i s LEU 5 Cb -0.23 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3c3i s LEU 5 CO 0.02 -0.65 -0.20 -0.69 0.23 0.00 0.00 176.35 175.06 3c3i s VAL 6 N 2.50 1.64 -0.20 -1.59 1.01 -1.26 -1.88 120.40 120.62 3c3i s VAL 6 Ca 0.58 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3c3i s VAL 6 Cb -0.26 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3c3i s VAL 6 CO 0.22 0.47 -0.11 -0.75 0.00 0.00 0.00 175.10 174.93 3c3i s LYS 7 N -0.08 2.07 0.03 2.72 2.20 -0.65 -5.02 119.74 121.02 3c3i s LYS 7 Ca -0.03 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.43 3c3i s LYS 7 Cb -0.12 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 3c3i s LYS 7 CO 0.02 -0.42 0.96 0.15 -0.36 0.00 0.00 175.35 175.70 3c3i s LYS 8 N 1.38 4.60 0.00 4.03 1.02 -1.26 -1.94 119.74 127.57 3c3i s LYS 8 Ca -0.01 1.41 0.23 0.00 0.02 0.00 0.00 55.97 57.61 3c3i s LYS 8 Cb -0.16 -3.43 0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3c3i s LYS 8 CO -0.08 0.04 1.11 1.28 -0.92 0.00 0.00 175.35 176.78 3c3i n LEU 9 N 3.53 1.28 -3.69 3.17 4.32 -0.58 -4.87 117.00 120.15 3c3i n LEU 9 Ca 0.04 -0.49 -0.11 0.00 -0.02 0.00 0.00 56.01 55.43 3c3i n LEU 9 Cb 0.50 -0.05 -0.12 0.00 -1.62 0.00 0.00 43.42 42.14 3c3i n LEU 9 CO 0.51 0.27 -0.04 -0.69 -1.22 0.00 0.00 177.39 176.23 3c3i s VAL 10 N -2.77 -0.20 0.30 4.08 1.01 -1.25 -5.05 120.40 116.52 3c3i s VAL 10 Ca 0.14 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.33 3c3i s VAL 10 Cb 0.17 -0.52 0.38 0.00 0.00 0.00 0.00 36.38 36.41 3c3i s VAL 10 CO 0.71 0.06 1.47 1.21 0.00 0.00 0.00 175.10 178.55 3c3i n GLU 11 N 4.62 -0.07 0.25 2.72 0.00 -1.26 0.69 120.64 127.60 3c3i n GLU 11 Ca -0.19 1.38 0.12 0.00 0.00 0.00 0.00 57.16 58.47 3c3i n GLU 11 Cb 0.53 -2.24 0.66 0.00 0.00 0.00 0.00 31.44 30.38 3c3i n GLU 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3c3i h SER 12 N 0.00 0.00 -1.49 4.31 4.64 -1.98 -3.45 113.55 115.58 3c3i h SER 12 Ca 0.61 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 61.20 3c3i h SER 12 Cb 1.37 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.49 3c3i h SER 12 CO -0.85 0.15 0.58 0.00 -0.87 0.00 0.00 176.83 175.84 3c3i n ALA 13 N -2.25 -1.06 -2.72 5.18 0.00 0.22 -4.91 120.51 114.97 3c3i n ALA 13 Ca -0.01 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 3c3i n ALA 13 Cb 0.29 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 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 1.71 5.02 0.06 0.00 2.01 -1.26 -5.00 115.64 118.17 3c3i s THR 14 Ca 0.92 1.53 -0.31 0.00 0.31 0.00 0.00 61.69 64.14 3c3i s THR 14 Cb -1.08 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 67.28 3c3i s THR 14 CO 0.58 0.24 1.53 -0.89 -0.69 0.00 0.00 174.62 175.38 3c3i s THR 15 N 0.84 3.28 0.36 -0.82 2.01 -1.26 -4.74 115.64 115.31 3c3i s THR 15 Ca 0.40 0.75 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 3c3i s THR 15 Cb -0.18 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 3c3i s THR 15 CO 0.19 0.01 1.46 -2.65 -0.69 0.00 0.00 174.62 172.95 3c3i n PRO 16 N 5.22 2.57 -3.75 4.92 -0.02 -1.26 -5.00 135.00 137.68 3c3i n PRO 16 Ca 0.14 0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 62.40 3c3i n PRO 16 Cb 0.42 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.18 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 -1.83 0.41 -0.07 -0.52 -2.45 -1.25 -4.92 119.30 108.66 3c3i s MET 17 Ca 0.55 0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 55.17 3c3i s MET 17 Cb -0.50 0.20 -0.04 0.00 1.25 0.00 0.00 34.83 35.74 3c3i s MET 17 CO 0.61 -0.05 1.49 1.03 1.05 0.00 0.00 175.02 179.16 3c3i s ARG 18 N 0.17 4.21 0.45 4.11 0.52 -1.26 -1.72 118.95 125.44 3c3i s ARG 18 Ca -0.00 2.00 0.23 0.00 -0.52 0.00 0.00 55.73 57.44 3c3i s ARG 18 Cb -0.02 -3.84 1.23 0.00 0.52 0.00 0.00 34.95 32.84 3c3i s ARG 18 CO 0.01 -0.75 1.83 0.78 0.02 0.00 0.00 175.30 177.18 3c3i h GLY 19 N 9.71 0.68 -1.17 -3.53 0.00 -1.94 -3.45 103.07 103.37 3c3i h GLY 19 Ca -0.35 -0.13 -0.22 0.00 0.00 0.00 0.00 47.33 46.63 3c3i h GLY 19 CO 0.95 -0.04 -0.11 -1.14 0.00 0.00 0.00 176.54 176.20 3c3i n SER 20 N -4.45 -1.12 0.00 0.19 3.41 -1.26 -5.04 113.62 105.35 3c3i n SER 20 Ca 0.22 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 3c3i n SER 20 Cb 0.87 2.08 0.00 0.00 -0.26 0.00 0.00 64.21 66.90 3c3i n SER 20 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3c3i n GLU 21 N -0.47 0.00 0.00 4.33 0.00 -1.26 -2.76 120.64 120.48 3c3i n GLU 21 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.62 3c3i n GLU 21 Cb 0.47 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.57 3c3i n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3c3i n GLY 22 N -0.88 0.82 3.72 8.31 0.00 -1.26 -4.87 105.19 111.03 3c3i n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3c3i n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c3i n ALA 23 N 0.03 2.62 0.06 4.61 0.00 -1.11 -4.91 120.51 121.80 3c3i n ALA 23 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 3c3i n ALA 23 Cb 0.16 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 16.99 3c3i n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c3i h ALA 24 N 6.13 0.36 -1.50 0.00 0.00 -1.91 -3.48 119.26 118.86 3c3i h ALA 24 Ca -0.44 -0.95 -0.58 0.00 0.00 0.00 0.00 54.91 52.93 3c3i h ALA 24 Cb 1.21 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 3c3i h ALA 24 CO 0.90 1.25 -0.57 0.20 0.00 0.00 0.00 179.25 181.03 3c3i s GLY 25 N -4.74 2.50 -0.19 0.00 0.00 -1.26 -4.62 107.32 99.01 3c3i s GLY 25 Ca -0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 44.72 43.01 3c3i s GLY 25 CO 0.83 -1.99 0.03 -0.19 0.00 0.00 0.00 173.10 171.78 3c3i s TYR 26 N -3.01 3.14 0.15 1.90 1.51 0.23 -4.03 117.35 117.23 3c3i s TYR 26 Ca 0.27 -0.16 -0.31 0.00 -1.01 0.00 0.00 57.07 55.86 3c3i s TYR 26 Cb 0.07 -2.08 -0.10 0.00 -0.11 0.00 0.00 41.96 39.74 3c3i s TYR 26 CO 0.13 -0.02 1.70 -0.51 -1.11 0.00 0.00 175.55 175.74 3c3i s ASP 27 N 0.65 6.48 -0.22 2.29 1.01 -0.70 0.18 116.67 126.36 3c3i s ASP 27 Ca 0.01 2.71 -0.07 0.00 0.71 0.00 0.00 52.55 55.92 3c3i s ASP 27 Cb -0.14 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 3c3i s ASP 27 CO 0.02 -0.93 0.05 -0.63 0.21 0.00 0.00 175.17 173.89 3c3i s ILE 28 N 1.87 4.33 0.24 0.77 -1.09 0.25 -3.96 121.20 123.61 3c3i s ILE 28 Ca 0.75 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.02 3c3i s ILE 28 Cb -0.45 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3c3i s ILE 28 CO 0.33 0.39 0.39 -0.44 -1.23 0.00 0.00 174.94 174.38 3c3i s SER 29 N 1.18 6.33 -0.11 3.58 0.01 -1.26 -0.27 113.70 123.16 3c3i s SER 29 Ca 0.04 0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.38 3c3i s SER 29 Cb -0.14 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 3c3i s SER 29 CO 0.03 -0.09 0.32 -0.55 0.41 0.00 0.00 173.24 173.36 3c3i s SER 30 N -3.73 6.54 -0.52 2.44 0.15 0.90 -4.49 113.70 114.99 3c3i s SER 30 Ca 0.36 0.64 0.02 0.00 0.70 0.00 0.00 55.95 57.67 3c3i s SER 30 Cb -0.10 -2.19 0.54 0.00 -1.71 0.00 0.00 66.02 62.55 3c3i s SER 30 CO 0.30 0.18 1.87 0.55 1.20 0.00 0.00 173.24 177.34 3c3i n VAL 31 N 2.95 3.28 -3.58 4.45 3.14 -0.85 0.81 118.33 128.53 3c3i n VAL 31 Ca -0.13 -2.65 -0.06 0.00 -2.96 0.00 0.00 64.34 58.53 3c3i n VAL 31 Cb 0.52 -0.82 -0.03 0.00 -1.06 0.00 0.00 33.84 32.46 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 -3.56 0.44 -0.22 1.45 -1.05 -1.26 -4.95 118.70 109.56 3c3i s GLU 32 Ca 0.59 -0.08 -0.13 0.00 -0.15 0.00 0.00 54.97 55.20 3c3i s GLU 32 Cb 0.48 0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 34.33 3c3i s GLU 32 CO 0.04 -0.18 0.26 -0.51 0.95 0.00 0.00 175.26 175.82 3c3i s ASP 33 N -1.86 6.27 0.26 0.83 1.01 -1.26 -3.41 116.67 118.51 3c3i s ASP 33 Ca 0.06 0.30 -0.10 0.00 0.71 0.00 0.00 52.55 53.53 3c3i s ASP 33 Cb -0.01 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 3c3i s ASP 33 CO -0.05 0.02 0.44 0.68 0.21 0.00 0.00 175.17 176.47 3c3i s VAL 34 N 1.07 0.00 -0.14 -1.27 -7.23 -0.22 -4.99 120.40 107.62 3c3i s VAL 34 Ca 0.13 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3c3i s VAL 34 Cb -0.14 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.50 3c3i s VAL 34 CO 0.05 0.00 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.03 3c3i s VAL 35 N -3.86 1.43 -0.69 1.32 1.01 -1.26 -0.60 120.40 117.74 3c3i s VAL 35 Ca 0.26 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3c3i s VAL 35 Cb 0.00 -1.36 0.12 0.00 0.00 0.00 0.00 36.38 35.14 3c3i s VAL 35 CO 0.11 0.44 0.83 0.54 0.00 0.00 0.00 175.10 177.01 3c3i s VAL 36 N 1.53 4.82 0.40 2.92 0.11 -0.59 -4.93 120.40 124.65 3c3i s VAL 36 Ca 0.05 -1.18 -0.24 0.00 -2.93 0.00 0.00 61.98 57.68 3c3i s VAL 36 Cb -0.13 -4.57 -0.12 0.00 -1.53 0.00 0.00 36.38 30.03 3c3i s VAL 36 CO -0.10 -1.24 0.84 -0.81 -3.33 0.00 0.00 175.10 170.46 3c3i n PRO 37 N 6.31 1.02 -1.59 1.54 -0.04 -1.26 -2.43 135.00 138.56 3c3i n PRO 37 Ca 0.00 0.37 -0.45 0.00 -0.04 0.00 0.00 63.50 63.38 3c3i n PRO 37 Cb 0.45 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.53 -0.27 -2.04 0.55 0.00 -1.26 -0.20 120.51 116.76 3c3i n ALA 38 Ca 0.11 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.87 3c3i n ALA 38 Cb 0.38 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 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 0.79 -2.09 -1.79 0.00 2.81 0.91 -4.88 117.12 112.87 3c3i n MET 39 Ca 0.10 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 3c3i n MET 39 Cb 0.32 -4.78 0.00 0.00 -0.71 0.00 0.00 33.22 28.04 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 -0.49 4.42 3.36 3.03 0.00 0.73 -4.93 105.19 111.31 3c3i n GLY 40 Ca -0.08 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.69 1.05 0.15 1.61 1.70 -1.26 -0.68 118.95 119.83 3c3i s ARG 41 Ca 0.00 -0.42 -0.23 0.00 -0.47 0.00 0.00 55.73 54.61 3c3i s ARG 41 Cb 0.00 0.47 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 3c3i s ARG 41 CO 0.00 -0.39 0.59 0.96 -1.08 0.00 0.00 175.30 175.38 3c3i s ILE 42 N -2.98 0.00 0.11 4.99 -5.25 -0.48 -4.86 121.20 112.73 3c3i s ILE 42 Ca -0.02 -0.04 -0.11 0.00 -0.99 0.00 0.00 60.65 59.49 3c3i s ILE 42 Cb 0.00 -1.01 -0.06 0.00 2.95 0.00 0.00 42.46 44.34 3c3i s ILE 42 CO -0.06 -0.02 0.45 0.00 -1.79 0.00 0.00 174.94 173.52 3c3i s ALA 43 N -3.64 3.67 -0.12 2.27 0.00 -1.26 -0.27 121.76 122.41 3c3i s ALA 43 Ca 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3c3i s ALA 43 Cb -0.01 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3c3i s ALA 43 CO -0.12 0.53 -0.17 0.08 0.00 0.00 0.00 175.76 176.08 3c3i s VAL 44 N -1.45 1.68 0.23 0.00 1.01 -0.57 -4.86 120.40 116.43 3c3i s VAL 44 Ca 0.36 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3c3i s VAL 44 Cb -0.14 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 3c3i s VAL 44 CO 0.19 0.48 1.35 -0.44 0.00 0.00 0.00 175.10 176.68 3c3i s SER 45 N 0.93 6.80 -0.02 3.32 0.01 -1.26 -1.98 113.70 121.51 3c3i s SER 45 Ca -0.07 2.52 0.10 0.00 1.31 0.00 0.00 55.95 59.82 3c3i s SER 45 Cb -0.15 -2.62 -0.16 0.00 0.21 0.00 0.00 66.02 63.30 3c3i s SER 45 CO -0.02 -0.59 0.22 0.35 0.41 0.00 0.00 173.24 173.62 3c3i n THR 46 N 2.36 0.02 -2.07 1.44 -2.24 -1.23 -2.00 114.28 110.55 3c3i n THR 46 Ca 0.06 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 3c3i n THR 46 Cb 0.42 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.93 0.18 2.97 3.38 0.00 -1.26 -4.36 105.19 108.03 3c3i n GLY 47 Ca -0.02 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.25 0.15 -0.10 -0.61 -4.36 -1.26 -1.53 121.20 111.24 3c3i s ILE 48 Ca 0.00 -0.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.68 3c3i s ILE 48 Cb 0.00 -0.26 -0.01 0.00 1.25 0.00 0.00 42.46 43.44 3c3i s ILE 48 CO 0.00 -0.37 -0.17 -0.44 0.24 0.00 0.00 174.94 174.20 3c3i s SER 49 N -1.15 3.71 0.15 4.36 0.01 -0.82 -1.06 113.70 118.90 3c3i s SER 49 Ca -0.12 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.78 3c3i s SER 49 Cb -0.08 -1.38 -0.05 0.00 0.21 0.00 0.00 66.02 64.72 3c3i s SER 49 CO -0.01 0.20 -0.03 0.27 0.41 0.00 0.00 173.24 174.08 3c3i s ILE 50 N 0.15 0.77 -0.17 1.44 -0.00 -1.26 -1.63 121.20 120.50 3c3i s ILE 50 Ca -0.09 -1.98 -0.00 0.00 -0.00 0.00 0.00 60.65 58.57 3c3i s ILE 50 Cb -0.15 -1.98 0.04 0.00 -0.00 0.00 0.00 42.46 40.36 3c3i s ILE 50 CO 0.06 -0.61 -0.06 -0.60 -0.00 0.00 0.00 174.94 173.73 3c3i s ARG 51 N -3.87 1.54 0.48 0.37 3.52 -0.78 -4.69 118.95 115.52 3c3i s ARG 51 Ca 0.20 -0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 55.19 3c3i s ARG 51 Cb 0.05 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 3c3i s ARG 51 CO 0.01 -0.42 0.80 0.14 -0.81 0.00 0.00 175.30 175.03 3c3i s VAL 52 N 1.60 4.87 0.88 7.11 -7.23 -1.26 -2.47 120.40 123.90 3c3i s VAL 52 Ca 0.01 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 3c3i s VAL 52 Cb -0.15 -3.84 0.04 0.00 0.56 0.00 0.00 36.38 32.98 3c3i s VAL 52 CO -0.08 -0.81 0.62 -2.65 -0.31 0.00 0.00 175.10 171.86 3c3i n PRO 53 N -2.12 -0.12 -2.57 4.82 -0.02 -1.26 -4.91 135.00 128.81 3c3i n PRO 53 Ca 0.01 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 3c3i n PRO 53 Cb 0.55 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 3c3i n PRO 53 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3c3i s ASP 54 N -1.98 7.31 0.00 2.55 1.11 -1.26 -3.35 116.67 121.06 3c3i s ASP 54 Ca 0.62 1.97 0.00 0.00 0.18 0.00 0.00 52.55 55.32 3c3i s ASP 54 Cb -0.25 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.14 3c3i s ASP 54 CO 0.62 -0.21 0.00 0.61 1.18 0.00 0.00 175.17 177.37 3c3i n GLY 55 N 2.30 0.82 3.59 0.21 0.00 -1.26 -5.06 105.19 105.78 3c3i n GLY 55 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 0.00 0.05 2.61 -4.23 -1.21 -1.78 115.64 109.07 3c3i s THR 56 Ca 0.00 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3c3i s THR 56 Cb 0.00 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 3c3i s THR 56 CO 0.00 0.00 0.00 -0.72 -0.54 0.00 0.00 174.62 173.36 3c3i s TYR 57 N -3.17 0.42 -0.56 3.99 1.13 -0.60 -4.49 117.35 114.07 3c3i s TYR 57 Ca 0.25 -0.89 -0.19 0.00 -1.41 0.00 0.00 57.07 54.83 3c3i s TYR 57 Cb -0.01 -0.31 0.08 0.00 -1.10 0.00 0.00 41.96 40.62 3c3i s TYR 57 CO 0.15 -0.37 0.68 0.20 -2.51 0.00 0.00 175.55 173.71 3c3i s GLY 58 N -2.63 1.76 -0.14 5.49 0.00 0.03 -2.26 107.32 109.57 3c3i s GLY 58 Ca 0.02 -2.02 -0.20 0.00 0.00 0.00 0.00 44.72 42.53 3c3i s GLY 58 CO -0.08 1.55 0.55 -1.60 0.00 0.00 0.00 173.10 173.52 3c3i s ARG 59 N 2.71 4.30 -1.15 2.90 3.52 -0.27 -1.39 118.95 129.57 3c3i s ARG 59 Ca 0.13 0.54 -0.16 0.00 -0.13 0.00 0.00 55.73 56.12 3c3i s ARG 59 Cb -0.22 -3.49 0.14 0.00 -1.56 0.00 0.00 34.95 29.82 3c3i s ARG 59 CO 0.09 0.00 1.41 0.42 -0.81 0.00 0.00 175.30 176.41 3c3i s ILE 60 N 1.11 4.75 0.51 4.11 -1.09 -0.40 -1.09 121.20 129.11 3c3i s ILE 60 Ca 0.28 -2.17 -0.11 0.00 -2.23 0.00 0.00 60.65 56.42 3c3i s ILE 60 Cb -0.16 -4.94 -0.05 0.00 -1.58 0.00 0.00 42.46 35.73 3c3i s ILE 60 CO 0.11 -1.68 0.89 0.00 -1.23 0.00 0.00 174.94 173.04 3c3i s ALA 61 N 2.46 3.23 0.52 9.38 0.00 -0.39 -4.79 121.76 132.17 3c3i s ALA 61 Ca 0.42 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.03 3c3i s ALA 61 Cb -0.02 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 3c3i s ALA 61 CO -0.02 -0.32 1.12 -2.14 0.00 0.00 0.00 175.76 174.40 3c3i s PRO 62 N -4.46 3.48 -0.33 0.00 0.02 -1.26 -1.54 135.00 130.91 3c3i s PRO 62 Ca 0.53 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.94 3c3i s PRO 62 Cb -0.10 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3c3i s PRO 62 CO 0.40 -0.74 0.56 1.03 -0.33 0.00 0.00 177.00 177.92 3c3i s ARG 63 N -3.22 3.76 0.05 5.54 0.52 -1.26 -4.71 118.95 119.64 3c3i s ARG 63 Ca 0.71 0.05 -0.10 0.00 -0.52 0.00 0.00 55.73 55.87 3c3i s ARG 63 Cb -0.23 -3.77 -0.02 0.00 0.52 0.00 0.00 34.95 31.45 3c3i s ARG 63 CO 0.26 -0.59 0.69 0.45 0.02 0.00 0.00 175.30 176.13 3c3i n SER 64 N 5.79 -0.34 0.01 0.23 2.88 -1.26 -1.54 113.62 119.40 3c3i n SER 64 Ca -0.03 0.77 -0.10 0.00 -1.33 0.00 0.00 58.87 58.18 3c3i n SER 64 Cb 0.49 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 3c3i n SER 64 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3c3i h GLY 65 N 0.00 -0.06 0.57 0.46 0.00 -1.97 0.31 103.07 102.37 3c3i h GLY 65 Ca 0.05 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.62 3c3i h GLY 65 CO -0.30 -0.12 0.57 1.41 0.00 0.00 0.00 176.54 178.10 3c3i h LEU 66 N -0.16 0.85 0.09 3.11 4.07 -1.64 1.37 115.31 123.00 3c3i h LEU 66 Ca 0.07 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 3c3i h LEU 66 Cb 0.26 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3c3i h LEU 66 CO -0.18 0.49 -0.04 0.00 -1.08 0.00 0.00 178.44 177.63 3c3i h ALA 67 N 1.48 -0.12 0.32 1.53 0.00 -1.06 -1.28 119.26 120.13 3c3i h ALA 67 Ca 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3c3i h ALA 67 Cb 0.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3c3i h ALA 67 CO -0.23 -0.34 -0.15 -0.92 0.00 0.00 0.00 179.25 177.60 3c3i h TYR 68 N -0.56 -0.40 0.00 0.00 3.20 0.37 0.81 116.97 120.40 3c3i h TYR 68 Ca -0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3c3i h TYR 68 Cb 0.47 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3c3i h TYR 68 CO 0.07 -0.09 -0.13 0.87 -1.64 0.00 0.00 178.16 177.24 3c3i h LYS 69 N -0.71 0.00 0.00 1.82 1.79 0.17 -3.35 116.57 116.29 3c3i h LYS 69 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3c3i h LYS 69 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3c3i h LYS 69 CO 0.07 0.13 0.00 0.66 -1.08 0.00 0.00 179.45 179.23 3c3i n TYR 70 N -3.16 0.00 -3.03 -1.35 4.02 -0.54 -5.02 117.16 108.08 3c3i n TYR 70 Ca 0.02 -0.13 -0.22 0.00 -0.01 0.00 0.00 57.90 57.56 3c3i n TYR 70 Cb 0.51 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.13 -0.52 3.66 2.72 0.00 0.28 -4.64 105.19 106.57 3c3i n GLY 71 Ca 0.00 0.12 -0.40 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 -3.13 5.06 0.30 -0.61 -1.09 -0.87 -2.19 121.20 118.67 3c3i s ILE 72 Ca 0.30 1.09 0.08 0.00 -2.23 0.00 0.00 60.65 59.89 3c3i s ILE 72 Cb -0.14 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 3c3i s ILE 72 CO 0.37 0.15 0.17 -0.62 -1.23 0.00 0.00 174.94 173.78 3c3i s ASP 73 N 1.15 5.08 -0.31 3.58 3.68 -0.24 -3.59 116.67 126.02 3c3i s ASP 73 Ca 0.27 -0.52 -0.01 0.00 2.13 0.00 0.00 52.55 54.43 3c3i s ASP 73 Cb -0.16 -1.02 0.06 0.00 -1.45 0.00 0.00 42.92 40.36 3c3i s ASP 73 CO 0.10 -0.18 0.02 -0.69 0.13 0.00 0.00 175.17 174.55 3c3i s VAL 74 N -2.29 2.86 0.76 1.11 1.01 -1.26 -1.72 120.40 120.87 3c3i s VAL 74 Ca 0.36 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 3c3i s VAL 74 Cb -0.06 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.64 3c3i s VAL 74 CO 0.24 -0.21 1.14 -0.76 0.00 0.00 0.00 175.10 175.50 3c3i s LEU 75 N 1.19 2.70 0.00 3.92 1.43 -0.76 -4.82 118.68 122.34 3c3i s LEU 75 Ca -0.03 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3c3i s LEU 75 Cb -0.20 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3c3i s LEU 75 CO -0.03 -1.64 0.00 0.00 0.23 0.00 0.00 176.35 174.92 3c3i n ALA 76 N -3.17 0.00 0.00 4.21 0.00 -1.26 -4.44 120.51 115.85 3c3i n ALA 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3c3i n ALA 76 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 1.14 3.64 0.00 0.00 -1.26 -4.91 105.19 103.79 3c3i n GLY 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.09 4.68 -0.38 1.61 1.01 -1.26 -1.27 120.40 122.70 3c3i s VAL 78 Ca 0.00 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 3c3i s VAL 78 Cb 0.00 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.21 3c3i s VAL 78 CO 0.00 -0.28 0.14 -0.63 0.00 0.00 0.00 175.10 174.33 3c3i s ILE 79 N 3.23 3.07 0.38 2.22 1.09 -0.49 -5.01 121.20 125.69 3c3i s ILE 79 Ca 0.40 -1.96 -0.27 0.00 -1.10 0.00 0.00 60.65 57.71 3c3i s ILE 79 Cb -0.14 -3.06 -0.10 0.00 -1.06 0.00 0.00 42.46 38.10 3c3i s ILE 79 CO 0.11 -0.56 1.37 -1.81 -0.10 0.00 0.00 174.94 173.95 3c3i s ASP 80 N 1.56 6.44 0.50 3.58 1.11 -1.26 -0.79 116.67 127.81 3c3i s ASP 80 Ca 0.06 2.80 0.27 0.00 0.18 0.00 0.00 52.55 55.86 3c3i s ASP 80 Cb -0.22 -2.65 1.35 0.00 1.07 0.00 0.00 42.92 42.47 3c3i s ASP 80 CO -0.04 -0.78 1.87 0.77 1.18 0.00 0.00 175.17 178.17 3c3i h SER 81 N 2.98 0.14 -0.46 0.27 4.64 -1.92 0.82 113.55 120.02 3c3i h SER 81 Ca -0.50 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 3c3i h SER 81 Cb 1.24 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3c3i h SER 81 CO 0.64 0.05 0.03 -0.90 -0.87 0.00 0.00 176.83 175.78 3c3i n ASP 82 N -4.36 4.54 -4.76 4.97 5.75 -1.26 -4.25 116.55 117.19 3c3i n ASP 82 Ca 0.19 -2.74 -0.39 0.00 -0.01 0.00 0.00 54.79 51.84 3c3i n ASP 82 Cb 0.89 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 3c3i n ASP 82 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3c3i s TYR 83 N -2.35 3.83 0.00 2.11 5.04 0.28 -4.95 117.35 121.31 3c3i s TYR 83 Ca 0.42 1.84 0.00 0.00 -2.44 0.00 0.00 57.07 56.89 3c3i s TYR 83 Cb 0.32 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.60 3c3i s TYR 83 CO 0.12 0.18 0.00 0.54 -1.34 0.00 0.00 175.55 175.05 3c3i n ARG 84 N 1.21 4.04 0.00 4.97 5.12 -1.26 -4.63 116.66 126.12 3c3i n ARG 84 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3c3i n ARG 84 Cb 0.47 -0.48 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 0.96 -1.99 3.84 -0.13 0.00 -1.26 -4.78 105.19 101.83 3c3i n GLY 85 Ca 0.00 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.89 3.33 -0.29 1.61 2.12 -1.26 -4.40 118.70 116.92 3c3i s GLU 86 Ca 0.00 0.89 -0.11 0.00 0.36 0.00 0.00 54.97 56.11 3c3i s GLU 86 Cb 0.00 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 3c3i s GLU 86 CO 0.00 -0.78 0.19 0.08 -0.54 0.00 0.00 175.26 174.21 3c3i s VAL 87 N -3.02 5.20 0.22 3.70 1.01 -0.22 -4.97 120.40 122.33 3c3i s VAL 87 Ca 0.57 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.64 3c3i s VAL 87 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3c3i s VAL 87 CO 0.51 0.19 0.24 -0.54 0.00 0.00 0.00 175.10 175.50 3c3i s LYS 88 N 1.73 3.10 -0.31 2.72 1.02 -1.26 -3.57 119.74 123.17 3c3i s LYS 88 Ca 0.07 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.19 3c3i s LYS 88 Cb -0.16 -2.70 0.09 0.00 -0.52 0.00 0.00 37.83 34.54 3c3i s LYS 88 CO 0.10 0.43 -0.00 0.08 -0.92 0.00 0.00 175.35 175.05 3c3i s VAL 89 N -1.99 2.27 -0.15 3.17 1.01 -0.84 -4.84 120.40 119.03 3c3i s VAL 89 Ca 0.33 -2.10 -0.29 0.00 0.00 0.00 0.00 61.98 59.92 3c3i s VAL 89 Cb -0.09 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3c3i s VAL 89 CO 0.26 -0.41 1.19 -0.63 0.00 0.00 0.00 175.10 175.51 3c3i s ILE 90 N 0.98 4.39 0.07 2.22 1.09 -1.26 -1.51 121.20 127.17 3c3i s ILE 90 Ca 0.04 1.68 0.08 0.00 -1.10 0.00 0.00 60.65 61.35 3c3i s ILE 90 Cb -0.19 -4.08 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 3c3i s ILE 90 CO -0.07 -0.11 -0.17 -0.76 -0.10 0.00 0.00 174.94 173.73 3c3i s LEU 91 N 3.09 2.68 -0.11 2.97 1.43 0.62 -1.83 118.68 127.54 3c3i s LEU 91 Ca 0.52 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3c3i s LEU 91 Cb -0.21 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3c3i s LEU 91 CO 0.15 0.23 -0.11 -0.47 0.23 0.00 0.00 176.35 176.37 3c3i s TYR 92 N -1.01 1.71 -0.30 0.29 6.14 -0.70 -1.38 117.35 122.10 3c3i s TYR 92 Ca 0.16 -0.85 -0.19 0.00 0.64 0.00 0.00 57.07 56.83 3c3i s TYR 92 Cb -0.11 -1.32 -0.01 0.00 0.42 0.00 0.00 41.96 40.94 3c3i s TYR 92 CO 0.07 -0.51 0.57 1.21 0.64 0.00 0.00 175.55 177.53 3c3i s ASN 93 N 1.40 6.44 0.00 4.32 3.04 0.15 -1.08 114.94 129.21 3c3i s ASN 93 Ca 0.00 0.36 0.25 0.00 0.04 0.00 0.00 52.86 53.51 3c3i s ASN 93 Cb -0.13 -2.30 0.49 0.00 -1.54 0.00 0.00 41.25 37.77 3c3i s ASN 93 CO -0.06 -0.42 1.41 0.35 -3.04 0.00 0.00 177.10 175.33 3c3i n THR 94 N 5.33 0.00 -2.48 -5.21 -2.24 -0.93 -1.99 114.28 106.76 3c3i n THR 94 Ca -0.03 -0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 3c3i n THR 94 Cb 0.49 0.26 0.12 0.00 -2.10 0.00 0.00 70.33 69.10 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 -3.00 2.11 -0.36 4.28 -4.23 -1.26 -4.67 115.64 108.51 3c3i s THR 95 Ca 0.11 -0.50 0.07 0.00 -1.18 0.00 0.00 61.69 60.19 3c3i s THR 95 Cb 0.17 -2.62 0.61 0.00 1.34 0.00 0.00 72.50 72.01 3c3i s THR 95 CO 0.70 0.00 1.71 -0.62 -0.54 0.00 0.00 174.62 175.87 3c3i n GLU 96 N -2.98 2.33 -3.74 3.99 1.02 -1.26 -0.06 120.64 119.93 3c3i n GLU 96 Ca 0.15 -3.08 -0.27 0.00 -0.02 0.00 0.00 57.16 53.94 3c3i n GLU 96 Cb 0.60 -2.03 -0.17 0.00 -0.02 0.00 0.00 31.44 29.83 3c3i n GLU 96 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3c3i s ARG 97 N -3.22 0.66 0.54 3.49 6.06 -1.26 -4.85 118.95 120.37 3c3i s ARG 97 Ca 0.51 -0.37 -0.18 0.00 -2.50 0.00 0.00 55.73 53.19 3c3i s ARG 97 Cb 0.44 -2.01 -0.13 0.00 0.06 0.00 0.00 34.95 33.32 3c3i s ARG 97 CO 0.07 -0.61 0.10 -0.25 -2.50 0.00 0.00 175.30 172.11 3c3i n ASP 98 N 5.06 -2.77 -4.01 -2.12 8.00 -1.26 -4.53 116.55 114.91 3c3i n ASP 98 Ca -0.09 0.67 -0.27 0.00 0.71 0.00 0.00 54.79 55.82 3c3i n ASP 98 Cb 0.47 -0.96 -0.17 0.00 -0.02 0.00 0.00 41.12 40.44 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 -1.90 1.66 -0.06 1.24 6.14 -1.02 -4.89 117.35 118.52 3c3i s TYR 99 Ca 0.61 -0.73 -0.13 0.00 0.64 0.00 0.00 57.07 57.46 3c3i s TYR 99 Cb -0.47 -1.24 -0.05 0.00 0.42 0.00 0.00 41.96 40.62 3c3i s TYR 99 CO 0.62 -0.40 0.32 0.42 0.64 0.00 0.00 175.55 177.15 3c3i s ILE 100 N 1.01 5.20 -0.24 3.14 1.09 -1.26 -1.54 121.20 128.59 3c3i s ILE 100 Ca -0.07 0.64 -0.01 0.00 -1.10 0.00 0.00 60.65 60.10 3c3i s ILE 100 Cb -0.15 -3.63 0.03 0.00 -1.06 0.00 0.00 42.46 37.65 3c3i s ILE 100 CO -0.01 0.54 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.67 3c3i s ILE 101 N -0.71 2.80 -0.02 2.92 1.01 0.23 -5.01 121.20 122.42 3c3i s ILE 101 Ca 0.20 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3c3i s ILE 101 Cb -0.15 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3c3i s ILE 101 CO 0.09 0.22 0.32 -0.54 0.00 0.00 0.00 174.94 175.03 3c3i s LYS 102 N 1.32 3.72 0.09 2.79 1.02 -1.26 -1.06 119.74 126.36 3c3i s LYS 102 Ca 0.00 0.16 -0.32 0.00 0.02 0.00 0.00 55.97 55.84 3c3i s LYS 102 Cb -0.16 -3.16 -0.17 0.00 -0.52 0.00 0.00 37.83 33.82 3c3i s LYS 102 CO -0.05 0.69 0.74 1.63 -0.92 0.00 0.00 175.35 177.44 3c3i n LYS 103 N 1.61 0.00 -0.70 1.68 5.02 -1.22 -1.69 118.16 122.86 3c3i n LYS 103 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3c3i n LYS 103 Cb 0.53 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 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 1.61 0.76 3.77 0.72 0.00 0.24 -4.97 105.19 107.32 3c3i n GLY 104 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.53 7.46 -0.59 1.61 1.01 -0.68 -4.71 116.67 118.24 3c3i s ASP 105 Ca 0.00 1.85 -0.26 0.00 0.71 0.00 0.00 52.55 54.85 3c3i s ASP 105 Cb 0.00 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.39 3c3i s ASP 105 CO 0.00 0.05 1.05 -0.13 0.21 0.00 0.00 175.17 176.36 3c3i s ARG 106 N -1.62 3.35 0.06 8.23 0.52 -1.26 -0.07 118.95 128.17 3c3i s ARG 106 Ca 0.45 -0.15 0.22 0.00 -0.52 0.00 0.00 55.73 55.73 3c3i s ARG 106 Cb -0.22 -4.07 -0.19 0.00 0.52 0.00 0.00 34.95 30.99 3c3i s ARG 106 CO 0.27 -1.64 0.72 0.44 0.02 0.00 0.00 175.30 175.11 3c3i n ILE 107 N 6.33 0.24 -3.83 1.52 -5.35 0.63 -4.96 119.36 113.95 3c3i n ILE 107 Ca 0.03 -0.50 -0.08 0.00 -0.27 0.00 0.00 62.75 61.94 3c3i n ILE 107 Cb 0.48 -0.10 0.01 0.00 -1.74 0.00 0.00 39.64 38.29 3c3i n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3c3i s ALA 108 N -3.44 -0.94 -0.01 -1.28 0.00 -1.12 -4.59 121.76 110.37 3c3i s ALA 108 Ca -0.04 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3c3i s ALA 108 Cb 0.12 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 3c3i s ALA 108 CO 0.86 -1.01 -0.14 1.14 0.00 0.00 0.00 175.76 176.61 3c3i s GLN 109 N -2.83 1.18 -0.14 0.00 -2.07 -0.59 0.87 119.66 116.08 3c3i s GLN 109 Ca 0.14 -0.50 -0.16 0.00 -1.82 0.00 0.00 55.36 53.03 3c3i s GLN 109 Cb -0.05 -1.13 -0.04 0.00 -1.09 0.00 0.00 33.01 30.70 3c3i s GLN 109 CO 0.10 0.28 0.38 -1.17 -1.32 0.00 0.00 175.29 173.56 3c3i s LEU 110 N -0.26 4.26 -0.15 2.60 2.96 0.48 -1.26 118.68 127.30 3c3i s LEU 110 Ca 0.04 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3c3i s LEU 110 Cb -0.06 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.13 3c3i s LEU 110 CO -0.00 0.06 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.30 3c3i s ILE 111 N 0.53 1.66 -1.11 6.68 1.01 -0.25 0.73 121.20 130.47 3c3i s ILE 111 Ca 0.21 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 3c3i s ILE 111 Cb -0.14 -1.54 0.13 0.00 0.01 0.00 0.00 42.46 40.92 3c3i s ILE 111 CO 0.07 0.47 1.38 -0.76 0.00 0.00 0.00 174.94 176.10 3c3i s LEU 112 N 1.44 4.69 0.17 2.97 1.43 -1.26 -1.12 118.68 127.00 3c3i s LEU 112 Ca 0.05 -2.42 -0.28 0.00 -1.03 0.00 0.00 54.13 50.45 3c3i s LEU 112 Cb -0.13 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 3c3i s LEU 112 CO -0.11 -1.00 0.88 -1.61 0.23 0.00 0.00 176.35 174.74 3c3i s GLU 113 N 2.74 4.70 0.08 1.70 2.02 -0.96 -4.83 118.70 124.15 3c3i s GLU 113 Ca 0.42 1.34 -0.30 0.00 0.02 0.00 0.00 54.97 56.45 3c3i s GLU 113 Cb -0.02 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 3c3i s GLU 113 CO -0.03 0.45 0.96 -0.65 0.02 0.00 0.00 175.26 176.00 3c3i s GLN 114 N -0.81 4.65 0.17 1.61 -0.21 -1.26 -1.55 119.66 122.27 3c3i s GLN 114 Ca 0.40 1.42 0.01 0.00 0.02 0.00 0.00 55.36 57.22 3c3i s GLN 114 Cb -0.24 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.33 3c3i s GLN 114 CO 0.29 0.15 0.02 0.96 -2.12 0.00 0.00 175.29 174.59 3c3i s ILE 115 N 0.27 0.54 0.03 1.08 -4.36 -0.74 -4.96 121.20 113.06 3c3i s ILE 115 Ca 0.48 -1.97 0.08 0.00 -0.26 0.00 0.00 60.65 58.98 3c3i s ILE 115 Cb -0.23 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 3c3i s ILE 115 CO 0.29 -0.42 -0.24 0.54 0.24 0.00 0.00 174.94 175.35 3c3i s VAL 116 N -3.75 2.34 -0.40 8.37 0.11 -1.26 -4.53 120.40 121.28 3c3i s VAL 116 Ca 0.26 -1.25 0.10 0.00 -2.93 0.00 0.00 61.98 58.15 3c3i s VAL 116 Cb 0.07 -1.91 0.30 0.00 -1.53 0.00 0.00 36.38 33.31 3c3i s VAL 116 CO 0.05 0.41 0.65 0.35 -3.33 0.00 0.00 175.10 173.23 3c3i n THR 117 N 1.88 -0.12 -0.83 5.04 -2.24 -1.26 -5.12 114.28 111.63 3c3i n THR 117 Ca -0.17 -4.42 -0.03 0.00 -2.27 0.00 0.00 64.05 57.17 3c3i n THR 117 Cb 0.52 -1.13 0.02 0.00 -2.10 0.00 0.00 70.33 67.63 3c3i n THR 117 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3c3i n PRO 118 N 0.77 -0.64 -1.90 -0.78 -0.04 -1.26 -5.06 135.00 126.10 3c3i n PRO 118 Ca 0.24 -0.18 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 3c3i n PRO 118 Cb 0.58 -0.14 0.13 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.99 1.67 -0.16 0.55 0.00 -1.26 -5.06 107.32 100.07 3c3i s GLY 119 Ca 0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 3c3i s GLY 119 CO 0.05 -0.27 -0.09 0.14 0.00 0.00 0.00 173.10 172.93 3c3i s VAL 120 N -3.70 3.27 -0.23 1.40 1.01 -1.26 -5.10 120.40 115.79 3c3i s VAL 120 Ca 0.67 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3c3i s VAL 120 Cb -0.08 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3c3i s VAL 120 CO 0.51 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 176.01 3c3i s ALA 121 N 0.72 2.64 -0.39 5.51 0.00 -1.26 -5.08 121.76 123.90 3c3i s ALA 121 Ca -0.04 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.32 3c3i s ALA 121 Cb -0.15 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.41 3c3i s ALA 121 CO 0.02 -0.65 0.82 0.08 0.00 0.00 0.00 175.76 176.03 3c3i s VAL 122 N 1.34 4.68 0.44 0.00 1.01 -1.26 -5.03 120.40 121.58 3c3i s VAL 122 Ca 0.02 0.85 0.07 0.00 0.00 0.00 0.00 61.98 62.92 3c3i s VAL 122 Cb -0.15 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 3c3i s VAL 122 CO -0.06 -0.53 0.34 0.68 0.00 0.00 0.00 175.10 175.53 3c3i s VAL 123 N 3.24 2.36 -0.32 2.92 -7.23 -1.26 -5.04 120.40 115.08 3c3i s VAL 123 Ca 0.33 -1.46 0.22 0.00 -1.81 0.00 0.00 61.98 59.26 3c3i s VAL 123 Cb -0.13 -2.82 -0.22 0.00 0.56 0.00 0.00 36.38 33.77 3c3i s VAL 123 CO 0.19 0.00 0.75 0.18 -0.31 0.00 0.00 175.10 175.91 3c3i n LEU 124 N -1.52 0.41 -3.53 1.32 4.32 -1.26 -4.98 117.00 111.75 3c3i n LEU 124 Ca 0.01 -0.01 -0.15 0.00 -0.02 0.00 0.00 56.01 55.85 3c3i n LEU 124 Cb 0.63 -0.03 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 3c3i n LEU 124 CO 0.43 0.01 0.34 -1.81 -1.22 0.00 0.00 177.39 175.14 3c3i s ASP 125 N -4.34 -0.52 0.00 -1.43 1.11 -1.26 -5.18 116.67 105.06 3c3i s ASP 125 Ca -0.02 0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.99 3c3i s ASP 125 Cb 0.14 0.52 0.00 0.00 1.07 0.00 0.00 42.92 44.65 3c3i s ASP 125 CO 0.86 -0.74 0.00 0.18 1.18 0.00 0.00 175.17 176.65 3c3i n LEU 126 N 0.39 0.00 -3.97 1.23 4.77 -1.26 -5.14 117.00 113.02 3c3i n LEU 126 Ca -0.18 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.54 3c3i n LEU 126 Cb 0.60 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 3c3i n LEU 126 CO 0.19 0.00 -0.45 -0.94 -1.33 0.00 0.00 177.39 174.86 3c3i s SER 127 N 0.67 1.98 0.30 -1.43 1.04 -1.26 -5.12 113.70 109.87 3c3i s SER 127 Ca 0.00 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.83 3c3i s SER 127 Cb 0.00 -0.84 -0.12 0.00 0.10 0.00 0.00 66.02 65.16 3c3i s SER 127 CO 0.00 -0.04 1.52 0.47 0.98 0.00 0.00 173.24 176.17 3c3i n ASP 128 N 4.38 3.55 -4.23 7.02 9.92 -1.26 -5.01 116.55 130.91 3c3i n ASP 128 Ca -0.18 1.16 -0.17 0.00 -0.53 0.00 0.00 54.79 55.07 3c3i n ASP 128 Cb 0.51 -1.56 -0.11 0.00 -0.64 0.00 0.00 41.12 39.32 3c3i n ASP 128 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3c3i s THR 129 N -0.25 1.28 -1.47 -3.53 -4.23 -1.26 -4.98 115.64 101.20 3c3i s THR 129 Ca 0.63 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 3c3i s THR 129 Cb -0.53 -1.51 0.05 0.00 1.34 0.00 0.00 72.50 71.85 3c3i s THR 129 CO 0.52 -0.44 0.89 0.00 -0.54 0.00 0.00 174.62 175.05 3c3i n ALA 130 N 0.53 1.35 -0.66 3.99 0.00 -1.26 -2.91 120.51 121.55 3c3i n ALA 130 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3c3i n ALA 130 Cb 0.57 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3c3i n ALA 130 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3c3i n ARG 131 N -1.27 0.00 0.00 0.00 0.63 -1.26 -5.08 116.66 109.68 3c3i n ARG 131 Ca 0.01 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3c3i n ARG 131 Cb 0.02 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 32.54 3c3i n ARG 131 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3c3i n GLY 132 N 2.24 -0.26 0.00 5.14 0.00 -1.14 -4.94 105.19 106.23 3c3i n GLY 132 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3c3i n GLY 132 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3c3i n SER 133 N 1.42 -1.13 -1.74 1.61 7.64 -1.26 -4.91 113.62 115.25 3c3i n SER 133 Ca 0.00 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.53 3c3i n SER 133 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3c3i n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3c3i n GLY 134 N 1.90 -0.92 0.00 0.23 0.00 -1.26 -5.06 105.19 100.08 3c3i n GLY 134 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.70 -0.05 1.19 -0.02 0.00 -1.26 -4.90 105.19 101.85 3c3i n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.58 0.00 0.00 1.61 3.72 -1.26 -5.26 117.46 115.69 3c3i n PHE 136 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3c3i n PHE 136 Cb 0.00 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 3c3i n PHE 136 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12