#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 5.49 -0.24 -3.46 1.04 -1.26 -4.69 113.70 110.58 3c3i s SER 3 Ca 0.00 1.91 -0.29 0.00 0.48 0.00 0.00 55.95 58.05 3c3i s SER 3 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 3c3i s SER 3 CO 0.00 -1.37 1.44 -0.22 0.98 0.00 0.00 173.24 174.07 3c3i s LEU 4 N -4.62 3.95 -0.06 2.42 0.20 -1.26 -4.67 118.68 114.63 3c3i s LEU 4 Ca 0.65 1.49 -0.18 0.00 0.69 0.00 0.00 54.13 56.78 3c3i s LEU 4 Cb -0.18 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.99 3c3i s LEU 4 CO 0.38 -1.10 0.49 -0.76 -0.29 0.00 0.00 176.35 175.07 3c3i s LEU 5 N 4.57 4.35 0.13 -0.68 2.01 -1.22 -4.99 118.68 122.86 3c3i s LEU 5 Ca 0.63 0.93 0.10 0.00 0.01 0.00 0.00 54.13 55.80 3c3i s LEU 5 Cb -0.21 -2.73 -0.04 0.00 0.01 0.00 0.00 46.19 43.22 3c3i s LEU 5 CO 0.25 0.10 -0.23 -0.69 1.01 0.00 0.00 176.35 176.79 3c3i s VAL 6 N 0.05 1.98 -0.18 -1.59 1.01 -1.26 -1.30 120.40 119.11 3c3i s VAL 6 Ca 0.27 -1.72 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 3c3i s VAL 6 Cb -0.16 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.47 3c3i s VAL 6 CO 0.13 -0.06 0.04 -0.75 0.00 0.00 0.00 175.10 174.46 3c3i s LYS 7 N -2.17 0.57 -0.26 2.72 2.20 0.40 -4.98 119.74 118.22 3c3i s LYS 7 Ca 0.12 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 3c3i s LYS 7 Cb -0.09 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 3c3i s LYS 7 CO 0.06 -0.60 1.19 0.15 -0.36 0.00 0.00 175.35 175.79 3c3i s LYS 8 N 1.91 4.09 0.22 4.03 1.02 -1.26 -1.48 119.74 128.26 3c3i s LYS 8 Ca 0.00 1.33 0.18 0.00 0.02 0.00 0.00 55.97 57.50 3c3i s LYS 8 Cb -0.16 -3.78 0.03 0.00 -0.52 0.00 0.00 37.83 33.39 3c3i s LYS 8 CO -0.08 -0.89 1.20 -0.07 -0.92 0.00 0.00 175.35 174.60 3c3i h LEU 9 N 10.17 0.00 -8.79 3.17 3.38 -0.37 -3.45 115.31 119.41 3c3i h LEU 9 Ca -0.24 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.08 3c3i h LEU 9 Cb 1.08 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.60 3c3i h LEU 9 CO 1.01 0.37 -0.86 -0.69 0.09 0.00 0.00 178.44 178.36 3c3i s VAL 10 N -3.05 2.07 0.05 1.22 1.01 -0.98 -5.04 120.40 115.68 3c3i s VAL 10 Ca 0.01 -1.59 -0.35 0.00 0.00 0.00 0.00 61.98 60.05 3c3i s VAL 10 Cb 0.08 -1.82 -0.20 0.00 0.00 0.00 0.00 36.38 34.44 3c3i s VAL 10 CO 0.76 0.13 1.48 -0.08 0.00 0.00 0.00 175.10 177.39 3c3i h GLU 11 N 4.20 -1.20 0.00 2.72 4.57 -1.91 -3.06 114.58 119.90 3c3i h GLU 11 Ca -0.48 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3c3i h GLU 11 Cb 1.17 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 3c3i h GLU 11 CO 0.40 -0.80 0.00 -1.13 -1.18 0.00 0.00 179.01 176.31 3c3i n SER 12 N -5.61 0.23 -4.64 1.04 3.41 -1.26 -4.79 113.62 102.01 3c3i n SER 12 Ca -0.16 0.60 -0.46 0.00 -0.26 0.00 0.00 58.87 58.59 3c3i n SER 12 Cb 0.49 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 3c3i n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3c3i n ALA 13 N -1.61 0.44 -2.33 7.33 0.00 -1.16 -4.93 120.51 118.26 3c3i n ALA 13 Ca -0.00 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 3c3i n ALA 13 Cb 0.04 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 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 -0.04 4.69 0.03 0.00 2.01 -1.26 -5.02 115.64 116.05 3c3i s THR 14 Ca 0.71 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.96 3c3i s THR 14 Cb -0.73 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 67.66 3c3i s THR 14 CO 0.50 0.42 1.24 -0.89 -0.69 0.00 0.00 174.62 175.19 3c3i s THR 15 N -0.35 4.00 0.37 -0.82 2.01 -1.26 -4.78 115.64 114.81 3c3i s THR 15 Ca 0.36 1.41 -0.27 0.00 0.31 0.00 0.00 61.69 63.49 3c3i s THR 15 Cb -0.21 -3.90 -0.11 0.00 0.01 0.00 0.00 72.50 68.29 3c3i s THR 15 CO 0.22 0.07 1.38 -2.65 -0.69 0.00 0.00 174.62 172.95 3c3i n PRO 16 N 4.41 2.33 -3.66 4.92 -0.02 -1.26 -4.97 135.00 136.75 3c3i n PRO 16 Ca 0.10 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3c3i n PRO 16 Cb 0.46 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 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 -2.06 0.73 0.10 -0.52 1.75 -1.25 -4.86 119.30 113.20 3c3i s MET 17 Ca 0.56 0.91 -0.31 0.00 -1.25 0.00 0.00 55.69 55.60 3c3i s MET 17 Cb -0.51 0.33 -0.07 0.00 2.84 0.00 0.00 34.83 37.42 3c3i s MET 17 CO 0.62 -0.10 1.29 1.03 -0.65 0.00 0.00 175.02 177.22 3c3i s ARG 18 N 0.49 4.38 0.00 4.11 0.52 -1.26 -1.83 118.95 125.36 3c3i s ARG 18 Ca -0.01 1.93 0.04 0.00 -0.52 0.00 0.00 55.73 57.16 3c3i s ARG 18 Cb -0.05 -3.29 0.11 0.00 0.52 0.00 0.00 34.95 32.24 3c3i s ARG 18 CO -0.01 -0.33 1.09 0.41 0.02 0.00 0.00 175.30 176.47 3c3i n GLY 19 N 3.24 -0.45 3.64 -3.53 0.00 -1.26 -4.81 105.19 102.02 3c3i n GLY 19 Ca 0.10 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3c3i n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3c3i s SER 20 N -1.00 -0.40 0.16 1.61 0.15 -1.26 -4.98 113.70 107.98 3c3i s SER 20 Ca 0.08 0.76 0.10 0.00 0.70 0.00 0.00 55.95 57.59 3c3i s SER 20 Cb 0.04 0.77 0.53 0.00 -1.71 0.00 0.00 66.02 65.65 3c3i s SER 20 CO 0.05 -0.14 1.25 1.21 1.20 0.00 0.00 173.24 176.82 3c3i n GLU 21 N 2.11 0.06 0.00 5.44 2.13 -1.26 0.37 120.64 129.49 3c3i n GLU 21 Ca -0.12 0.53 0.04 0.00 0.66 0.00 0.00 57.16 58.27 3c3i n GLU 21 Cb 0.56 -1.78 0.03 0.00 0.27 0.00 0.00 31.44 30.52 3c3i n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3c3i n GLY 22 N -1.36 -0.49 3.71 8.31 0.00 -1.26 -5.02 105.19 109.08 3c3i n GLY 22 Ca -0.01 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 0.33 1.65 0.13 4.61 0.00 0.16 -4.90 120.51 122.49 3c3i n ALA 23 Ca 0.05 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.88 3c3i n ALA 23 Cb 0.21 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.35 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 3.59 0.63 -2.45 0.00 0.00 -1.95 -3.47 119.26 115.61 3c3i h ALA 24 Ca -0.47 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 53.74 3c3i h ALA 24 Cb 1.26 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 3c3i h ALA 24 CO 0.70 0.72 -0.70 0.20 0.00 0.00 0.00 179.25 180.17 3c3i s GLY 25 N -4.50 0.56 0.08 0.00 0.00 -1.26 -4.59 107.32 97.60 3c3i s GLY 25 Ca 0.03 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.43 3c3i s GLY 25 CO 0.76 -1.22 0.59 -0.19 0.00 0.00 0.00 173.10 173.03 3c3i s TYR 26 N -3.18 3.81 0.85 1.90 1.51 -0.21 -4.41 117.35 117.61 3c3i s TYR 26 Ca 0.04 1.30 -0.10 0.00 -1.01 0.00 0.00 57.07 57.29 3c3i s TYR 26 Cb 0.02 -2.53 0.11 0.00 -0.11 0.00 0.00 41.96 39.46 3c3i s TYR 26 CO -0.06 0.57 1.12 -0.51 -1.11 0.00 0.00 175.55 175.56 3c3i s ASP 27 N -1.05 3.64 -0.04 2.29 -0.00 -0.76 0.50 116.67 121.25 3c3i s ASP 27 Ca 0.30 2.00 -0.01 0.00 -0.00 0.00 0.00 52.55 54.84 3c3i s ASP 27 Cb -0.20 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.21 3c3i s ASP 27 CO 0.19 -2.61 0.03 -0.63 -0.00 0.00 0.00 175.17 172.15 3c3i s ILE 28 N -2.77 0.03 0.15 0.77 -1.09 -0.80 -3.82 121.20 113.67 3c3i s ILE 28 Ca 0.64 0.26 0.08 0.00 -2.23 0.00 0.00 60.65 59.40 3c3i s ILE 28 Cb -0.20 -0.21 -0.04 0.00 -1.58 0.00 0.00 42.46 40.43 3c3i s ILE 28 CO 0.57 0.16 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.92 3c3i s SER 29 N 1.63 4.39 -0.14 3.58 0.01 -1.26 -0.92 113.70 120.98 3c3i s SER 29 Ca -0.02 -0.47 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 3c3i s SER 29 Cb -0.13 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 3c3i s SER 29 CO -0.03 0.13 0.82 -0.55 0.41 0.00 0.00 173.24 174.03 3c3i s SER 30 N -2.59 6.99 0.00 2.44 0.15 0.21 -4.51 113.70 116.39 3c3i s SER 30 Ca 0.24 1.21 0.29 0.00 0.70 0.00 0.00 55.95 58.39 3c3i s SER 30 Cb -0.10 -2.46 1.54 0.00 -1.71 0.00 0.00 66.02 63.30 3c3i s SER 30 CO 0.15 -0.35 2.02 1.33 1.20 0.00 0.00 173.24 177.58 3c3i n VAL 31 N 4.56 0.01 -4.20 4.45 0.24 -0.48 0.16 118.33 123.06 3c3i n VAL 31 Ca 0.04 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.08 3c3i n VAL 31 Cb 0.49 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.59 3c3i n VAL 31 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3c3i s GLU 32 N -1.99 0.91 -0.16 7.34 -1.05 -1.26 -4.78 118.70 117.71 3c3i s GLU 32 Ca 0.43 -1.14 -0.24 0.00 -0.15 0.00 0.00 54.97 53.87 3c3i s GLU 32 Cb 0.21 -0.75 -0.02 0.00 -0.44 0.00 0.00 34.13 33.13 3c3i s GLU 32 CO 0.34 0.14 0.75 -0.51 0.95 0.00 0.00 175.26 176.93 3c3i s ASP 33 N -2.28 6.88 0.30 0.83 -0.00 -1.26 -4.04 116.67 117.10 3c3i s ASP 33 Ca 0.05 1.07 -0.10 0.00 -0.00 0.00 0.00 52.55 53.57 3c3i s ASP 33 Cb -0.05 -2.41 0.01 0.00 -0.00 0.00 0.00 42.92 40.46 3c3i s ASP 33 CO 0.02 -0.32 0.54 0.68 -0.00 0.00 0.00 175.17 176.09 3c3i s VAL 34 N 1.87 0.00 -0.06 -1.27 -7.23 0.10 -4.99 120.40 108.82 3c3i s VAL 34 Ca 0.35 -1.38 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3c3i s VAL 34 Cb -0.16 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.35 3c3i s VAL 34 CO 0.13 0.00 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.20 3c3i s VAL 35 N -3.41 0.48 -0.38 1.32 1.01 -1.26 0.74 120.40 118.91 3c3i s VAL 35 Ca 0.23 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 3c3i s VAL 35 Cb -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3c3i s VAL 35 CO 0.13 0.25 0.40 0.54 0.00 0.00 0.00 175.10 176.42 3c3i s VAL 36 N 1.51 5.13 0.63 2.92 0.11 -0.41 -4.93 120.40 125.36 3c3i s VAL 36 Ca -0.02 -0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 3c3i s VAL 36 Cb -0.13 -3.93 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 3c3i s VAL 36 CO -0.03 -0.25 1.28 -2.16 -3.33 0.00 0.00 175.10 170.60 3c3i s PRO 37 N 2.07 2.68 0.23 1.54 0.04 -1.26 -2.27 135.00 138.03 3c3i s PRO 37 Ca 0.12 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.85 3c3i s PRO 37 Cb -0.17 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 3c3i s PRO 37 CO 0.12 -1.48 1.50 0.00 0.04 0.00 0.00 177.00 177.18 3c3i n ALA 38 N -1.79 1.57 -1.85 8.56 0.00 -1.26 -0.11 120.51 125.63 3c3i n ALA 38 Ca 0.15 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 3c3i n ALA 38 Cb 0.48 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 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 2.44 -1.67 -2.91 0.00 2.81 -0.48 -4.92 117.12 112.40 3c3i n MET 39 Ca 0.12 0.74 -0.11 0.00 -1.81 0.00 0.00 57.70 56.64 3c3i n MET 39 Cb 0.32 -5.15 -0.02 0.00 -0.71 0.00 0.00 33.22 27.66 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 -0.51 3.98 3.26 3.03 0.00 0.85 -4.91 105.19 110.89 3c3i n GLY 40 Ca -0.15 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.62 0.59 0.08 1.61 1.70 -1.26 -0.72 118.95 118.32 3c3i s ARG 41 Ca 0.00 0.13 -0.01 0.00 -0.47 0.00 0.00 55.73 55.38 3c3i s ARG 41 Cb 0.00 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 3c3i s ARG 41 CO 0.00 -0.13 0.00 0.96 -1.08 0.00 0.00 175.30 175.05 3c3i s ILE 42 N -0.67 0.18 -0.14 4.99 -5.25 -0.92 -4.90 121.20 114.49 3c3i s ILE 42 Ca -0.08 -1.83 -0.06 0.00 -0.99 0.00 0.00 60.65 57.69 3c3i s ILE 42 Cb -0.04 -1.69 -0.04 0.00 2.95 0.00 0.00 42.46 43.64 3c3i s ILE 42 CO 0.03 -0.81 0.07 0.00 -1.79 0.00 0.00 174.94 172.43 3c3i s ALA 43 N -3.96 3.52 -0.17 2.27 0.00 -1.26 -1.99 121.76 120.17 3c3i s ALA 43 Ca 0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 3c3i s ALA 43 Cb 0.08 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3c3i s ALA 43 CO -0.06 0.42 -0.11 0.08 0.00 0.00 0.00 175.76 176.09 3c3i s VAL 44 N -0.37 3.00 0.27 0.00 1.01 0.26 -4.92 120.40 119.66 3c3i s VAL 44 Ca 0.09 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3c3i s VAL 44 Cb -0.12 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 3c3i s VAL 44 CO 0.02 0.49 1.16 -0.44 0.00 0.00 0.00 175.10 176.32 3c3i s SER 45 N 0.94 7.14 0.00 3.32 0.01 -1.26 -1.98 113.70 121.87 3c3i s SER 45 Ca -0.02 2.35 0.08 0.00 1.31 0.00 0.00 55.95 59.66 3c3i s SER 45 Cb -0.15 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 3c3i s SER 45 CO -0.01 -0.26 0.47 0.35 0.41 0.00 0.00 173.24 174.20 3c3i n THR 46 N 1.33 0.00 -1.00 1.44 -2.24 -1.22 -1.38 114.28 111.21 3c3i n THR 46 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3c3i n THR 46 Cb 0.44 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.92 0.14 3.32 3.38 0.00 -1.26 -4.58 105.19 107.11 3c3i n GLY 47 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.29 1.61 -0.07 -0.61 -4.36 -1.26 0.44 121.20 115.66 3c3i s ILE 48 Ca 0.00 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.31 3c3i s ILE 48 Cb 0.00 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.80 3c3i s ILE 48 CO 0.00 -0.57 -0.10 -0.55 0.24 0.00 0.00 174.94 173.97 3c3i s SER 49 N -3.12 1.70 0.31 4.36 0.15 -0.55 -0.82 113.70 115.73 3c3i s SER 49 Ca 0.19 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 56.68 3c3i s SER 49 Cb -0.01 -0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 63.49 3c3i s SER 49 CO 0.05 -0.02 -0.08 0.27 1.20 0.00 0.00 173.24 174.67 3c3i s ILE 50 N 0.96 2.65 -0.45 6.45 -4.36 -1.26 -0.45 121.20 124.73 3c3i s ILE 50 Ca -0.09 -2.14 0.03 0.00 -0.26 0.00 0.00 60.65 58.19 3c3i s ILE 50 Cb -0.15 -2.63 0.16 0.00 1.25 0.00 0.00 42.46 41.10 3c3i s ILE 50 CO 0.00 -0.29 0.34 -0.60 0.24 0.00 0.00 174.94 174.63 3c3i s ARG 51 N -3.63 1.14 0.48 0.37 3.00 -0.42 -4.72 118.95 115.18 3c3i s ARG 51 Ca 0.32 -2.20 -0.24 0.00 -1.00 0.00 0.00 55.73 52.61 3c3i s ARG 51 Cb -0.02 -1.81 -0.07 0.00 0.00 0.00 0.00 34.95 33.05 3c3i s ARG 51 CO 0.18 -1.33 1.42 0.14 0.00 0.00 0.00 175.30 175.70 3c3i s VAL 52 N -0.02 2.04 0.63 7.11 -7.23 -1.26 -3.39 120.40 118.28 3c3i s VAL 52 Ca 0.28 0.03 -0.18 0.00 -1.81 0.00 0.00 61.98 60.31 3c3i s VAL 52 Cb -0.04 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 3c3i s VAL 52 CO -0.15 0.00 1.02 -0.81 -0.31 0.00 0.00 175.10 174.85 3c3i n PRO 53 N -0.42 0.85 -0.85 4.82 -0.04 -1.26 -4.90 135.00 133.20 3c3i n PRO 53 Ca 0.06 0.34 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 3c3i n PRO 53 Cb 0.42 -2.24 0.15 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.35 3.19 0.00 3.54 1.11 -1.26 -2.36 116.67 119.53 3c3i s ASP 54 Ca 0.77 2.23 0.00 0.00 0.18 0.00 0.00 52.55 55.73 3c3i s ASP 54 Cb -0.40 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.02 3c3i s ASP 54 CO 0.46 -2.93 0.00 0.61 1.18 0.00 0.00 175.17 174.49 3c3i n GLY 55 N 0.24 0.80 3.40 0.21 0.00 -1.26 -4.96 105.19 103.62 3c3i n GLY 55 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3c3i n GLY 55 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3c3i s THR 56 N -3.38 0.87 -0.12 2.61 -1.32 -1.00 -0.60 115.64 112.71 3c3i s THR 56 Ca 0.00 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.40 3c3i s THR 56 Cb 0.00 -2.69 0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3c3i s THR 56 CO 0.00 0.00 0.29 -0.72 -2.21 0.00 0.00 174.62 171.98 3c3i s TYR 57 N -3.47 -0.38 -0.12 9.09 1.13 -1.18 -4.44 117.35 117.98 3c3i s TYR 57 Ca 0.36 0.88 -0.29 0.00 -1.41 0.00 0.00 57.07 56.60 3c3i s TYR 57 Cb 0.08 0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 3c3i s TYR 57 CO 0.15 -0.22 1.28 0.20 -2.51 0.00 0.00 175.55 174.45 3c3i s GLY 58 N 0.88 1.76 -0.19 5.49 0.00 -0.82 -2.87 107.32 111.57 3c3i s GLY 58 Ca -0.06 0.55 -0.07 0.00 0.00 0.00 0.00 44.72 45.15 3c3i s GLY 58 CO -0.06 2.46 0.04 -1.60 0.00 0.00 0.00 173.10 173.95 3c3i s ARG 59 N 3.15 3.84 -0.71 2.90 3.52 0.17 -0.82 118.95 131.00 3c3i s ARG 59 Ca 0.57 -0.41 -0.18 0.00 -0.13 0.00 0.00 55.73 55.57 3c3i s ARG 59 Cb -0.24 -3.18 0.13 0.00 -1.56 0.00 0.00 34.95 30.10 3c3i s ARG 59 CO 0.18 0.15 0.82 0.42 -0.81 0.00 0.00 175.30 176.07 3c3i s ILE 60 N 0.67 4.92 0.27 4.11 -1.09 -0.36 -0.22 121.20 129.50 3c3i s ILE 60 Ca 0.02 -1.36 0.06 0.00 -2.23 0.00 0.00 60.65 57.14 3c3i s ILE 60 Cb -0.13 -4.56 -0.03 0.00 -1.58 0.00 0.00 42.46 36.16 3c3i s ILE 60 CO 0.02 -1.21 0.34 0.00 -1.23 0.00 0.00 174.94 172.85 3c3i s ALA 61 N 2.30 3.90 0.64 9.38 0.00 -0.50 -4.60 121.76 132.89 3c3i s ALA 61 Ca 0.18 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 3c3i s ALA 61 Cb -0.17 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 3c3i s ALA 61 CO 0.00 0.18 1.04 -1.25 0.00 0.00 0.00 175.76 175.73 3c3i s PRO 62 N -3.98 3.40 -0.11 0.00 0.04 -1.26 -1.57 135.00 131.51 3c3i s PRO 62 Ca 0.36 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 3c3i s PRO 62 Cb -0.09 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3c3i s PRO 62 CO 0.28 -0.73 0.27 1.03 0.04 0.00 0.00 177.00 177.89 3c3i s ARG 63 N -5.11 3.95 0.15 4.56 0.52 -1.26 -4.65 118.95 117.11 3c3i s ARG 63 Ca 0.56 0.10 -0.17 0.00 -0.52 0.00 0.00 55.73 55.70 3c3i s ARG 63 Cb -0.12 -3.31 0.05 0.00 0.52 0.00 0.00 34.95 32.09 3c3i s ARG 63 CO 0.54 0.50 1.73 0.66 0.02 0.00 0.00 175.30 178.75 3c3i h SER 64 N 5.71 -0.00 -0.04 0.23 4.64 -1.97 -2.73 113.55 119.40 3c3i h SER 64 Ca -0.47 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 3c3i h SER 64 Cb 1.20 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3c3i h SER 64 CO 0.67 0.04 -0.07 1.23 -0.87 0.00 0.00 176.83 177.83 3c3i h GLY 65 N 0.17 -1.72 1.27 -0.77 0.00 -1.99 0.19 103.07 100.21 3c3i h GLY 65 Ca 0.15 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.26 3c3i h GLY 65 CO -0.21 -0.62 0.26 1.04 0.00 0.00 0.00 176.54 177.00 3c3i n LEU 66 N -3.02 0.29 -0.02 3.11 4.32 -1.19 -1.01 117.00 119.47 3c3i n LEU 66 Ca -0.01 0.53 -0.01 0.00 -0.02 0.00 0.00 56.01 56.50 3c3i n LEU 66 Cb 0.05 -0.49 -0.00 0.00 -1.62 0.00 0.00 43.42 41.35 3c3i n LEU 66 CO 0.00 -0.63 -0.09 0.00 -1.22 0.00 0.00 177.39 175.46 3c3i h ALA 67 N 1.27 0.00 -0.30 -1.18 0.00 -0.41 -2.42 119.26 116.22 3c3i h ALA 67 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3c3i h ALA 67 Cb 0.51 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3c3i h ALA 67 CO 0.00 0.13 0.04 -0.92 0.00 0.00 0.00 179.25 178.51 3c3i h TYR 68 N -0.29 0.06 0.00 0.00 3.20 -0.72 0.63 116.97 119.86 3c3i h TYR 68 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3c3i h TYR 68 Cb 0.13 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3c3i h TYR 68 CO -0.06 0.00 0.00 1.17 -1.64 0.00 0.00 178.16 177.63 3c3i n LYS 69 N -5.11 0.02 -0.22 1.82 0.00 -0.18 -4.32 118.16 110.17 3c3i n LYS 69 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.35 3c3i n LYS 69 Cb 0.14 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.64 3c3i n LYS 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3c3i n TYR 70 N -1.57 0.00 -3.99 5.64 4.02 -1.03 -5.02 117.16 115.22 3c3i n TYR 70 Ca 0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.69 3c3i n TYR 70 Cb 0.33 0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.00 -0.26 3.39 2.72 0.00 0.22 -4.67 105.19 106.59 3c3i n GLY 71 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.84 4.15 0.07 -0.61 1.01 -0.91 -0.99 121.20 120.08 3c3i s ILE 72 Ca 0.14 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3c3i s ILE 72 Cb -0.07 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3c3i s ILE 72 CO 0.89 0.20 0.04 -0.62 0.00 0.00 0.00 174.94 175.45 3c3i s ASP 73 N 1.56 5.32 -0.26 3.58 3.68 -0.80 -4.21 116.67 125.54 3c3i s ASP 73 Ca 0.05 -0.06 -0.10 0.00 2.13 0.00 0.00 52.55 54.57 3c3i s ASP 73 Cb -0.16 -1.38 -0.04 0.00 -1.45 0.00 0.00 42.92 39.89 3c3i s ASP 73 CO 0.03 0.19 0.15 -0.69 0.13 0.00 0.00 175.17 174.98 3c3i s VAL 74 N -1.31 5.04 0.51 1.11 1.01 -1.26 -0.91 120.40 124.59 3c3i s VAL 74 Ca 0.26 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3c3i s VAL 74 Cb -0.12 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3c3i s VAL 74 CO 0.19 0.30 0.72 -0.76 0.00 0.00 0.00 175.10 175.56 3c3i s LEU 75 N 1.49 3.39 0.00 3.92 1.43 0.10 -4.87 118.68 124.14 3c3i s LEU 75 Ca 0.07 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3c3i s LEU 75 Cb -0.15 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.19 3c3i s LEU 75 CO 0.07 -1.01 0.00 0.00 0.23 0.00 0.00 176.35 175.64 3c3i n ALA 76 N -2.22 0.00 0.00 4.21 0.00 -1.26 -4.49 120.51 116.75 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 1.31 3.46 0.00 0.00 -1.26 -4.95 105.19 103.74 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 -2.38 4.34 -0.55 1.61 1.01 -1.26 -1.22 120.40 121.95 3c3i s VAL 78 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 3c3i s VAL 78 Cb 0.00 -4.67 0.06 0.00 0.00 0.00 0.00 36.38 31.77 3c3i s VAL 78 CO 0.00 -1.43 0.79 -0.63 0.00 0.00 0.00 175.10 173.83 3c3i s ILE 79 N 4.03 4.62 0.49 2.22 -1.09 0.00 -5.03 121.20 126.45 3c3i s ILE 79 Ca 0.22 -0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.21 3c3i s ILE 79 Cb -0.17 -4.45 -0.06 0.00 -1.58 0.00 0.00 42.46 36.20 3c3i s ILE 79 CO 0.11 -1.02 1.21 -1.81 -1.23 0.00 0.00 174.94 172.20 3c3i s ASP 80 N 2.91 5.87 0.64 3.58 1.11 -1.26 -1.94 116.67 127.58 3c3i s ASP 80 Ca 0.22 2.40 0.43 0.00 0.18 0.00 0.00 52.55 55.78 3c3i s ASP 80 Cb -0.17 -2.61 2.34 0.00 1.07 0.00 0.00 42.92 43.56 3c3i s ASP 80 CO 0.14 -1.13 2.32 0.77 1.18 0.00 0.00 175.17 178.45 3c3i h SER 81 N 1.77 0.00 -0.52 0.27 4.64 -1.91 -1.77 113.55 116.02 3c3i h SER 81 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 3c3i h SER 81 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3c3i h SER 81 CO 0.59 0.00 0.04 -0.90 -0.87 0.00 0.00 176.83 175.69 3c3i n ASP 82 N -3.02 5.08 -4.74 4.97 5.75 -1.26 -4.61 116.55 118.73 3c3i n ASP 82 Ca -0.03 -3.03 -0.39 0.00 -0.01 0.00 0.00 54.79 51.33 3c3i n ASP 82 Cb 0.07 -0.66 -0.05 0.00 -1.03 0.00 0.00 41.12 39.45 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 -2.84 3.67 -0.11 2.11 5.04 -0.67 -4.95 117.35 119.60 3c3i s TYR 83 Ca 0.52 1.32 0.16 0.00 -2.44 0.00 0.00 57.07 56.63 3c3i s TYR 83 Cb 0.40 -2.75 0.37 0.00 0.35 0.00 0.00 41.96 40.33 3c3i s TYR 83 CO 0.13 0.24 1.17 0.54 -1.34 0.00 0.00 175.55 176.30 3c3i n ARG 84 N 3.08 0.84 -3.12 4.97 5.12 -1.26 -4.71 116.66 121.58 3c3i n ARG 84 Ca -0.03 -2.54 -0.20 0.00 -1.93 0.00 0.00 57.85 53.15 3c3i n ARG 84 Cb 0.51 -0.93 0.04 0.00 -1.16 0.00 0.00 32.46 30.92 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 -0.48 2.25 3.74 -0.13 0.00 -1.26 -4.98 105.19 104.34 3c3i n GLY 85 Ca 0.12 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 -4.30 4.40 -0.06 1.61 2.12 -1.26 -4.49 118.70 116.72 3c3i s GLU 86 Ca 0.46 2.06 -0.30 0.00 0.36 0.00 0.00 54.97 57.56 3c3i s GLU 86 Cb -0.04 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 3c3i s GLU 86 CO 0.29 -0.22 1.06 0.08 -0.54 0.00 0.00 175.26 175.93 3c3i s VAL 87 N -0.14 4.64 -0.06 3.70 1.01 -0.00 -5.00 120.40 124.54 3c3i s VAL 87 Ca 0.55 1.91 0.05 0.00 0.00 0.00 0.00 61.98 64.49 3c3i s VAL 87 Cb -0.37 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 3c3i s VAL 87 CO 0.40 0.04 -0.23 -0.54 0.00 0.00 0.00 175.10 174.77 3c3i s LYS 88 N 1.80 2.48 -0.20 2.72 1.02 -1.26 -3.40 119.74 122.90 3c3i s LYS 88 Ca 0.51 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 55.57 3c3i s LYS 88 Cb -0.21 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.00 3c3i s LYS 88 CO 0.21 0.30 0.15 0.08 -0.92 0.00 0.00 175.35 175.18 3c3i s VAL 89 N 0.00 5.39 -0.39 3.17 1.01 -0.84 -4.84 120.40 123.91 3c3i s VAL 89 Ca -0.07 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3c3i s VAL 89 Cb -0.14 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.79 3c3i s VAL 89 CO 0.04 0.43 0.21 -0.63 0.00 0.00 0.00 175.10 175.16 3c3i s ILE 90 N 0.41 4.30 -0.17 2.22 1.01 -1.26 0.91 121.20 128.61 3c3i s ILE 90 Ca 0.09 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 3c3i s ILE 90 Cb -0.11 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3c3i s ILE 90 CO -0.01 -0.35 0.09 -0.76 0.00 0.00 0.00 174.94 173.91 3c3i s LEU 91 N 1.48 3.98 -0.24 2.97 1.43 -0.84 -0.73 118.68 126.73 3c3i s LEU 91 Ca 0.02 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3c3i s LEU 91 Cb -0.21 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3c3i s LEU 91 CO 0.04 0.22 -0.04 -0.47 0.23 0.00 0.00 176.35 176.33 3c3i s TYR 92 N 0.10 3.03 -0.31 0.29 6.14 -0.08 -2.16 117.35 124.35 3c3i s TYR 92 Ca 0.07 -1.26 -0.23 0.00 0.64 0.00 0.00 57.07 56.28 3c3i s TYR 92 Cb -0.12 -2.10 0.00 0.00 0.42 0.00 0.00 41.96 40.16 3c3i s TYR 92 CO 0.00 -0.65 0.79 1.21 0.64 0.00 0.00 175.55 177.54 3c3i s ASN 93 N 1.40 6.66 0.00 4.32 3.84 0.10 -1.91 114.94 129.36 3c3i s ASN 93 Ca 0.03 0.66 0.22 0.00 0.21 0.00 0.00 52.86 53.98 3c3i s ASN 93 Cb -0.16 -2.41 0.74 0.00 -0.55 0.00 0.00 41.25 38.88 3c3i s ASN 93 CO -0.03 -0.62 1.55 0.35 -2.79 0.00 0.00 177.10 175.56 3c3i n THR 94 N 5.54 0.21 -3.06 -5.21 -2.24 -0.16 -1.38 114.28 107.99 3c3i n THR 94 Ca 0.04 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 3c3i n THR 94 Cb 0.48 0.45 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.79 2.36 -2.37 4.28 -4.23 -1.26 -4.74 115.64 107.89 3c3i s THR 95 Ca 0.33 -1.02 0.27 0.00 -1.18 0.00 0.00 61.69 60.09 3c3i s THR 95 Cb 0.18 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 72.06 3c3i s THR 95 CO 0.27 0.00 1.60 -0.62 -0.54 0.00 0.00 174.62 175.34 3c3i n GLU 96 N -2.12 1.53 -4.73 3.99 1.02 -1.26 -1.56 120.64 117.51 3c3i n GLU 96 Ca 0.13 -0.98 -0.33 0.00 -0.02 0.00 0.00 57.16 55.95 3c3i n GLU 96 Cb 0.61 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 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 -2.14 2.74 0.87 3.49 3.52 -1.26 -4.77 118.95 121.40 3c3i s ARG 97 Ca 0.32 -0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 55.20 3c3i s ARG 97 Cb 0.20 -2.53 0.12 0.00 -1.56 0.00 0.00 34.95 31.18 3c3i s ARG 97 CO 0.39 0.60 1.10 -0.51 -0.81 0.00 0.00 175.30 176.06 3c3i s ASP 98 N -0.64 3.58 -0.04 -2.12 1.01 -1.26 -4.41 116.67 112.79 3c3i s ASP 98 Ca 0.09 1.74 0.03 0.00 0.71 0.00 0.00 52.55 55.12 3c3i s ASP 98 Cb -0.11 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.44 3c3i s ASP 98 CO 0.01 -2.61 -0.11 -0.47 0.21 0.00 0.00 175.17 172.20 3c3i s TYR 99 N -2.84 1.25 0.02 4.23 6.14 -0.96 -4.97 117.35 120.22 3c3i s TYR 99 Ca 0.63 -0.37 0.01 0.00 0.64 0.00 0.00 57.07 57.98 3c3i s TYR 99 Cb -0.19 -0.89 -0.04 0.00 0.42 0.00 0.00 41.96 41.26 3c3i s TYR 99 CO 0.57 -0.17 0.09 0.42 0.64 0.00 0.00 175.55 177.11 3c3i s ILE 100 N 0.32 4.73 -0.21 3.14 1.01 -1.26 -1.29 121.20 127.65 3c3i s ILE 100 Ca -0.07 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3c3i s ILE 100 Cb -0.12 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3c3i s ILE 100 CO 0.02 0.27 -0.16 -0.63 0.00 0.00 0.00 174.94 174.44 3c3i s ILE 101 N -1.27 2.19 0.20 2.92 -1.09 0.23 -4.99 121.20 119.39 3c3i s ILE 101 Ca 0.26 -1.12 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 3c3i s ILE 101 Cb -0.12 -2.04 -0.06 0.00 -1.58 0.00 0.00 42.46 38.66 3c3i s ILE 101 CO 0.17 0.36 0.48 -0.54 -1.23 0.00 0.00 174.94 174.18 3c3i s LYS 102 N 1.25 3.71 0.31 2.79 -0.14 -1.26 -0.72 119.74 125.67 3c3i s LYS 102 Ca 0.01 0.09 -0.28 0.00 -1.36 0.00 0.00 55.97 54.43 3c3i s LYS 102 Cb -0.15 -2.72 -0.13 0.00 -1.68 0.00 0.00 37.83 33.14 3c3i s LYS 102 CO -0.10 0.36 1.10 1.63 -0.76 0.00 0.00 175.35 177.59 3c3i n LYS 103 N -0.17 1.61 -0.99 1.68 5.02 -1.26 -1.46 118.16 122.59 3c3i n LYS 103 Ca -0.01 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3c3i n LYS 103 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 1.06 0.85 3.75 0.72 0.00 0.42 -4.97 105.19 107.01 3c3i n GLY 104 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.71 7.20 0.05 1.61 1.11 -0.54 -4.65 116.67 118.74 3c3i s ASP 105 Ca 0.00 2.24 -0.30 0.00 0.18 0.00 0.00 52.55 54.66 3c3i s ASP 105 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 3c3i s ASP 105 CO 0.00 -0.23 1.21 -0.13 1.18 0.00 0.00 175.17 177.19 3c3i s ARG 106 N -0.93 4.42 0.00 8.23 0.52 -1.26 -0.62 118.95 129.31 3c3i s ARG 106 Ca 0.48 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 3c3i s ARG 106 Cb -0.32 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.78 3c3i s ARG 106 CO 0.39 -0.29 0.00 0.44 0.02 0.00 0.00 175.30 175.87 3c3i n ILE 107 N 4.02 0.00 -3.67 1.52 -5.35 -0.10 -4.93 119.36 110.85 3c3i n ILE 107 Ca 0.09 -0.46 -0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3c3i n ILE 107 Cb 0.46 1.00 0.01 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.90 -0.89 -2.92 -1.28 0.00 -1.19 -4.56 120.51 108.76 3c3i n ALA 108 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 3c3i n ALA 108 Cb 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.01 0.04 -0.19 0.00 -2.07 -0.61 -1.90 119.66 112.92 3c3i s GLN 109 Ca 0.07 0.06 -0.16 0.00 -1.82 0.00 0.00 55.36 53.52 3c3i s GLN 109 Cb -0.01 0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.89 3c3i s GLN 109 CO 0.01 -0.01 0.38 -1.17 -1.32 0.00 0.00 175.29 173.19 3c3i s LEU 110 N 0.04 4.17 -0.12 2.60 2.96 0.18 -1.40 118.68 127.11 3c3i s LEU 110 Ca -0.00 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 3c3i s LEU 110 Cb -0.00 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 3c3i s LEU 110 CO -0.00 -0.05 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.16 3c3i s ILE 111 N 1.17 2.45 -1.05 6.68 1.01 0.70 -1.04 121.20 131.11 3c3i s ILE 111 Ca 0.19 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 3c3i s ILE 111 Cb -0.15 -1.98 0.16 0.00 0.01 0.00 0.00 42.46 40.50 3c3i s ILE 111 CO 0.08 0.54 1.23 -0.76 0.00 0.00 0.00 174.94 176.03 3c3i s LEU 112 N 0.43 5.23 -0.15 2.97 1.43 -1.26 0.45 118.68 127.78 3c3i s LEU 112 Ca -0.14 -2.56 -0.28 0.00 -1.03 0.00 0.00 54.13 50.12 3c3i s LEU 112 Cb -0.17 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 3c3i s LEU 112 CO 0.06 -0.86 0.96 -1.61 0.23 0.00 0.00 176.35 175.13 3c3i s GLU 113 N 1.86 4.35 0.01 1.70 2.02 -1.14 -4.85 118.70 122.65 3c3i s GLU 113 Ca 0.36 1.27 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 3c3i s GLU 113 Cb -0.05 -3.57 -0.07 0.00 0.10 0.00 0.00 34.13 30.55 3c3i s GLU 113 CO -0.05 -0.38 1.58 -0.65 0.02 0.00 0.00 175.26 175.77 3c3i s GLN 114 N 2.30 4.22 0.32 1.61 -0.21 -1.26 -3.13 119.66 123.50 3c3i s GLN 114 Ca 0.44 2.18 0.04 0.00 0.02 0.00 0.00 55.36 58.05 3c3i s GLN 114 Cb -0.17 -3.71 -0.06 0.00 1.00 0.00 0.00 33.01 30.07 3c3i s GLN 114 CO 0.14 -0.72 0.04 0.96 -2.12 0.00 0.00 175.29 173.59 3c3i s ILE 115 N 2.99 1.28 0.07 1.08 -4.36 0.23 -4.99 121.20 117.50 3c3i s ILE 115 Ca 0.71 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 59.16 3c3i s ILE 115 Cb -0.35 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 3c3i s ILE 115 CO 0.30 -0.04 -0.19 0.68 0.24 0.00 0.00 174.94 175.93 3c3i s VAL 116 N -3.24 1.55 -0.38 8.37 -7.23 -1.26 -4.63 120.40 113.59 3c3i s VAL 116 Ca 0.36 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 3c3i s VAL 116 Cb 0.08 -1.40 0.14 0.00 0.56 0.00 0.00 36.38 35.76 3c3i s VAL 116 CO 0.15 0.00 0.22 0.42 -0.31 0.00 0.00 175.10 175.58 3c3i s THR 117 N -1.04 0.54 0.40 5.32 -4.23 -1.26 -5.13 115.64 110.25 3c3i s THR 117 Ca 0.05 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3c3i s THR 117 Cb -0.09 -1.39 0.08 0.00 1.34 0.00 0.00 72.50 72.43 3c3i s THR 117 CO 0.03 -0.95 0.55 -0.81 -0.54 0.00 0.00 174.62 172.89 3c3i n PRO 118 N 3.91 0.39 -2.36 3.99 -0.04 -1.26 -5.10 135.00 134.53 3c3i n PRO 118 Ca 0.11 -1.69 -0.27 0.00 -0.04 0.00 0.00 63.50 61.60 3c3i n PRO 118 Cb 0.36 -0.30 0.02 0.00 -0.04 0.00 0.00 33.50 33.54 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 -3.84 1.59 0.26 0.55 0.00 -1.26 -5.08 107.32 99.54 3c3i s GLY 119 Ca 0.38 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3c3i s GLY 119 CO 0.25 -0.32 0.43 0.14 0.00 0.00 0.00 173.10 173.60 3c3i s VAL 120 N -2.99 5.19 -0.35 1.40 1.01 -1.26 -5.08 120.40 118.32 3c3i s VAL 120 Ca 0.53 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3c3i s VAL 120 Cb -0.11 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.63 3c3i s VAL 120 CO 0.46 -0.33 0.41 0.00 0.00 0.00 0.00 175.10 175.64 3c3i s ALA 121 N -2.03 -0.90 0.25 5.51 0.00 -1.26 -5.13 121.76 118.20 3c3i s ALA 121 Ca 0.38 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 3c3i s ALA 121 Cb -0.10 -2.14 -0.13 0.00 0.00 0.00 0.00 23.12 20.75 3c3i s ALA 121 CO 0.31 -2.02 1.46 0.28 0.00 0.00 0.00 175.76 175.78 3c3i n VAL 122 N 4.62 0.97 -4.14 0.00 0.31 -1.26 -4.99 118.33 113.84 3c3i n VAL 122 Ca 0.07 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.04 3c3i n VAL 122 Cb 0.48 -1.60 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 3c3i n VAL 122 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3c3i s VAL 123 N -0.04 0.72 0.13 2.52 -7.23 -1.26 -5.04 120.40 110.19 3c3i s VAL 123 Ca 0.67 -1.59 0.20 0.00 -1.81 0.00 0.00 61.98 59.45 3c3i s VAL 123 Cb -0.61 -1.26 0.16 0.00 0.56 0.00 0.00 36.38 35.23 3c3i s VAL 123 CO 0.49 -0.63 1.73 -0.07 -0.31 0.00 0.00 175.10 176.32 3c3i h LEU 124 N 3.61 0.00 -7.00 1.32 4.07 -2.10 -3.46 115.31 111.76 3c3i h LEU 124 Ca -0.36 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.60 3c3i h LEU 124 Cb 1.18 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.71 3c3i h LEU 124 CO 0.54 0.34 0.32 -0.62 -1.08 0.00 0.00 178.44 177.93 3c3i s ASP 125 N -6.37 -0.56 -0.12 -0.43 2.15 -1.26 -5.07 116.67 105.01 3c3i s ASP 125 Ca 0.01 0.75 0.08 0.00 0.43 0.00 0.00 52.55 53.82 3c3i s ASP 125 Cb 0.10 0.64 -0.24 0.00 -0.30 0.00 0.00 42.92 43.13 3c3i s ASP 125 CO 0.68 -0.43 0.37 0.18 -0.17 0.00 0.00 175.17 175.80 3c3i n LEU 126 N 1.25 1.28 0.00 -1.34 4.77 -1.26 -5.10 117.00 116.60 3c3i n LEU 126 Ca -0.15 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3c3i n LEU 126 Cb 0.57 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3c3i n LEU 126 CO 0.16 0.57 0.00 -1.20 -1.33 0.00 0.00 177.39 175.60 3c3i n SER 127 N -3.10 0.00 -4.76 -1.43 7.64 -1.26 -5.07 113.62 105.64 3c3i n SER 127 Ca -0.27 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.21 3c3i n SER 127 Cb 1.07 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.23 3c3i n SER 127 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3c3i s ASP 128 N 0.00 7.12 0.52 6.43 1.11 -1.26 -5.06 116.67 125.53 3c3i s ASP 128 Ca 0.00 2.38 0.01 0.00 0.18 0.00 0.00 52.55 55.12 3c3i s ASP 128 Cb 0.00 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3c3i s ASP 128 CO 0.00 -0.26 0.02 0.42 1.18 0.00 0.00 175.17 176.52 3c3i s THR 129 N -1.06 1.14 0.00 -1.27 -4.23 -1.26 -5.09 115.64 103.88 3c3i s THR 129 Ca 0.46 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3c3i s THR 129 Cb -0.34 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3c3i s THR 129 CO 0.44 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.93 3c3i n ALA 130 N -1.30 0.00 0.00 3.99 0.00 -1.26 -5.33 120.51 116.62 3c3i n ALA 130 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3c3i n ALA 130 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3c3i n ALA 130 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37