#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cim s ALA 4 N 0.00 2.37 -0.04 -1.39 0.00 -0.40 -4.41 121.76 117.89 3cim s ALA 4 Ca 0.00 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.60 3cim s ALA 4 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3cim s ALA 4 CO 0.00 -1.45 -0.21 0.54 0.00 0.00 0.00 175.76 174.64 3cim s VAL 5 N -2.34 1.74 0.00 0.00 0.11 -0.10 -2.17 120.40 117.65 3cim s VAL 5 Ca 0.68 -0.91 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 3cim s VAL 5 Cb -0.22 -1.47 -0.02 0.00 -1.53 0.00 0.00 36.38 33.14 3cim s VAL 5 CO 0.44 0.49 -0.19 -0.83 -3.33 0.00 0.00 175.10 171.67 3cim s GLY 6 N -0.19 0.98 -0.02 6.54 0.00 -0.28 -1.10 107.32 113.26 3cim s GLY 6 Ca -0.00 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3cim s GLY 6 CO 0.02 -0.78 -0.04 1.06 0.00 0.00 0.00 173.10 173.36 3cim s MET 7 N -0.69 0.56 -0.10 2.90 -1.94 -0.06 -0.67 119.30 119.31 3cim s MET 7 Ca 0.07 -0.12 0.02 0.00 -1.71 0.00 0.00 55.69 53.95 3cim s MET 7 Cb -0.08 -0.59 0.02 0.00 2.01 0.00 0.00 34.83 36.19 3cim s MET 7 CO 0.00 0.01 -0.14 0.42 -0.01 0.00 0.00 175.02 175.30 3cim s ILE 8 N 0.44 1.35 -0.17 2.53 1.01 -0.79 -1.76 121.20 123.80 3cim s ILE 8 Ca -0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3cim s ILE 8 Cb -0.09 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3cim s ILE 8 CO -0.00 0.41 -0.00 -0.70 0.00 0.00 0.00 174.94 174.64 3cim s GLU 9 N 0.98 3.73 0.29 2.79 2.12 0.11 -1.39 118.70 127.33 3cim s GLU 9 Ca -0.07 -0.48 0.11 0.00 0.36 0.00 0.00 54.97 54.88 3cim s GLU 9 Cb -0.15 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 3cim s GLU 9 CO -0.01 0.19 -0.13 0.95 -0.54 0.00 0.00 175.26 175.72 3cim s THR 10 N 0.54 2.62 -0.41 -1.70 -4.23 0.19 -0.40 115.64 112.26 3cim s THR 10 Ca -0.01 -2.25 -0.17 0.00 -1.18 0.00 0.00 61.69 58.07 3cim s THR 10 Cb -0.14 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.23 3cim s THR 10 CO 0.02 -0.35 0.44 -0.60 -0.54 0.00 0.00 174.62 173.59 3cim s ARG 11 N -3.57 3.18 0.00 3.99 6.06 0.32 -1.53 118.95 127.40 3cim s ARG 11 Ca 0.31 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.86 3cim s ARG 11 Cb -0.04 -3.94 0.00 0.00 0.06 0.00 0.00 34.95 31.03 3cim s ARG 11 CO 0.16 -0.81 0.00 0.41 -2.50 0.00 0.00 175.30 172.56 3cim n GLY 12 N 5.08 3.04 0.11 8.12 0.00 -0.59 -4.02 105.19 116.92 3cim n GLY 12 Ca -0.07 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 3cim n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cim h PHE 13 N 0.00 0.43 -0.94 1.61 3.57 -1.92 -3.17 116.94 116.51 3cim h PHE 13 Ca 0.00 -0.31 0.11 0.00 3.53 0.00 0.00 57.97 61.29 3cim h PHE 13 Cb 0.00 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 3cim h PHE 13 CO 0.00 1.26 0.60 -1.35 -2.23 0.00 0.00 178.31 176.59 3cim h PRO 14 N -0.50 0.90 -0.30 6.41 0.11 -1.98 -1.12 132.00 135.51 3cim h PRO 14 Ca -0.12 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 3cim h PRO 14 Cb 1.52 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3cim h PRO 14 CO 0.12 0.60 -0.15 0.00 -0.21 0.00 0.00 178.00 178.36 3cim h ALA 15 N 1.54 1.18 -0.08 -0.75 0.00 -1.90 -1.80 119.26 117.46 3cim h ALA 15 Ca 0.45 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3cim h ALA 15 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3cim h ALA 15 CO -0.21 0.52 -0.62 -0.24 0.00 0.00 0.00 179.25 178.71 3cim h VAL 16 N 0.48 1.38 -0.34 0.00 3.04 -1.20 0.32 116.25 119.94 3cim h VAL 16 Ca 0.09 -2.00 -0.08 0.00 -1.01 0.00 0.00 66.70 63.70 3cim h VAL 16 Cb 0.54 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 3cim h VAL 16 CO 0.03 0.59 -0.11 0.58 -1.01 0.00 0.00 177.57 177.66 3cim h VAL 17 N 0.20 1.28 -0.74 1.51 2.07 -1.00 -0.85 116.25 118.72 3cim h VAL 17 Ca -0.01 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 3cim h VAL 17 Cb 1.13 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3cim h VAL 17 CO 0.10 0.39 0.36 -0.08 0.02 0.00 0.00 177.57 178.35 3cim h GLU 18 N 0.45 1.07 -0.32 1.57 4.57 -1.21 -0.66 114.58 120.04 3cim h GLU 18 Ca 0.08 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3cim h GLU 18 Cb 0.62 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 3cim h GLU 18 CO 0.04 0.83 0.06 0.00 -1.18 0.00 0.00 179.01 178.76 3cim h ALA 19 N 1.18 0.34 -0.32 2.92 0.00 -0.72 -0.75 119.26 121.90 3cim h ALA 19 Ca 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3cim h ALA 19 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3cim h ALA 19 CO -0.03 -0.34 0.18 0.00 0.00 0.00 0.00 179.25 179.05 3cim h ALA 20 N 1.24 0.41 -0.29 0.00 0.00 -0.83 -0.75 119.26 119.04 3cim h ALA 20 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3cim h ALA 20 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cim h ALA 20 CO -0.20 -0.06 0.16 0.22 0.00 0.00 0.00 179.25 179.37 3cim h ASP 21 N 0.40 0.37 -0.30 0.00 3.58 -0.83 -1.76 116.42 117.88 3cim h ASP 21 Ca 0.11 -0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3cim h ASP 21 Cb 0.06 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 3cim h ASP 21 CO -0.02 0.36 -0.05 0.77 -2.88 0.00 0.00 179.24 177.42 3cim h SER 22 N 0.35 0.65 0.15 2.28 4.64 -1.05 -2.01 113.55 118.56 3cim h SER 22 Ca 0.10 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3cim h SER 22 Cb 0.07 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3cim h SER 22 CO -0.02 0.75 -0.07 0.24 -0.87 0.00 0.00 176.83 176.86 3cim h MET 23 N 0.63 -0.19 0.00 4.77 2.86 -0.79 -1.57 114.93 120.63 3cim h MET 23 Ca 0.12 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3cim h MET 23 Cb 0.46 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3cim h MET 23 CO 0.02 -0.11 -0.15 -0.39 1.06 0.00 0.00 176.91 177.35 3cim h VAL 24 N -0.22 0.33 0.00 -2.22 -1.51 -1.24 -2.83 116.25 108.56 3cim h VAL 24 Ca -0.02 -0.99 -0.11 0.00 -1.23 0.00 0.00 66.70 64.34 3cim h VAL 24 Cb 0.17 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 3cim h VAL 24 CO 0.03 0.14 -0.66 0.11 -1.23 0.00 0.00 177.57 175.96 3cim h LYS 25 N 0.00 0.00 0.00 5.19 1.57 -1.26 -3.36 116.57 118.71 3cim h LYS 25 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3cim h LYS 25 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3cim h LYS 25 CO 0.02 0.44 -0.38 0.00 -0.57 0.00 0.00 179.45 178.96 3cim h ALA 26 N 1.51 0.78 -2.63 3.86 0.00 -1.02 -3.48 119.26 118.28 3cim h ALA 26 Ca -0.03 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.65 3cim h ALA 26 Cb 1.40 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3cim h ALA 26 CO 0.06 0.48 0.40 0.00 0.00 0.00 0.00 179.25 180.19 3cim s ALA 27 N -3.11 -1.41 -1.29 0.00 0.00 -1.23 -4.81 121.76 109.92 3cim s ALA 27 Ca 0.04 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 3cim s ALA 27 Cb 0.08 0.72 0.10 0.00 0.00 0.00 0.00 23.12 24.02 3cim s ALA 27 CO 0.72 -1.04 1.70 -2.13 0.00 0.00 0.00 175.76 175.01 3cim n ARG 28 N -0.51 3.24 -4.29 0.00 3.00 -1.26 -4.73 116.66 112.11 3cim n ARG 28 Ca -0.05 -3.41 -0.18 0.00 -0.00 0.00 0.00 57.85 54.21 3cim n ARG 28 Cb 0.60 -3.31 -0.11 0.00 0.00 0.00 0.00 32.46 29.65 3cim n ARG 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3cim s VAL 29 N 3.11 1.48 -0.12 5.15 -7.23 -1.26 -4.46 120.40 117.06 3cim s VAL 29 Ca 0.49 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 3cim s VAL 29 Cb 0.03 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 3cim s VAL 29 CO 0.04 -0.53 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.34 3cim s THR 30 N -2.63 3.62 -0.15 5.32 2.01 -0.38 -4.80 115.64 118.63 3cim s THR 30 Ca 0.16 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 3cim s THR 30 Cb -0.02 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 3cim s THR 30 CO 0.04 0.53 1.20 -0.22 -0.69 0.00 0.00 174.62 175.49 3cim s LEU 31 N 0.03 4.19 0.00 4.42 2.96 -1.26 -1.06 118.68 127.96 3cim s LEU 31 Ca -0.01 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.55 3cim s LEU 31 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3cim s LEU 31 CO 0.03 -0.70 0.00 1.33 -1.32 0.00 0.00 176.35 175.69 3cim n VAL 32 N 5.20 0.00 -3.75 1.68 0.24 0.08 -4.83 118.33 116.94 3cim n VAL 32 Ca 0.13 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 3cim n VAL 32 Cb 0.45 0.73 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 3cim n VAL 32 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cim s GLY 33 N -1.37 -0.18 -0.12 7.63 0.00 -1.05 0.03 107.32 112.26 3cim s GLY 33 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.17 3cim s GLY 33 CO 0.00 0.29 0.14 -0.47 0.00 0.00 0.00 173.10 173.05 3cim s TYR 34 N -1.00 -0.06 -0.07 1.90 5.04 -1.26 -1.45 117.35 120.44 3cim s TYR 34 Ca -0.11 0.23 0.04 0.00 -2.44 0.00 0.00 57.07 54.80 3cim s TYR 34 Cb -0.05 -0.43 -0.00 0.00 0.35 0.00 0.00 41.96 41.83 3cim s TYR 34 CO 0.04 -0.39 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.65 3cim s GLU 35 N 2.24 2.38 -0.15 4.97 2.56 -0.03 -4.98 118.70 125.69 3cim s GLU 35 Ca 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 54.97 54.26 3cim s GLU 35 Cb -0.14 -1.92 -0.02 0.00 2.00 0.00 0.00 34.13 34.05 3cim s GLU 35 CO -0.07 0.21 -0.08 0.15 -0.56 0.00 0.00 175.26 174.91 3cim s LYS 36 N 0.21 3.51 0.00 4.30 1.02 -1.26 -0.82 119.74 126.70 3cim s LYS 36 Ca -0.11 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.27 3cim s LYS 36 Cb -0.15 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 3cim s LYS 36 CO 0.05 0.18 0.75 0.44 -0.92 0.00 0.00 175.35 175.85 3cim n ILE 37 N 3.66 0.56 0.00 2.17 -5.35 -1.00 -5.05 119.36 114.35 3cim n ILE 37 Ca -0.18 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3cim n ILE 37 Cb 0.52 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 3cim n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cim n GLY 38 N -0.28 -0.28 2.40 3.28 0.00 -1.26 -4.93 105.19 104.12 3cim n GLY 38 Ca 0.00 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 3cim n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cim n SER 39 N -0.74 -5.02 -0.70 1.61 2.88 -1.26 -1.39 113.62 109.00 3cim n SER 39 Ca 0.00 0.15 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 3cim n SER 39 Cb 0.00 -4.27 -0.04 0.00 -0.75 0.00 0.00 64.21 59.15 3cim n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cim n GLY 40 N -0.79 1.02 3.64 0.46 0.00 -1.26 -4.95 105.19 103.31 3cim n GLY 40 Ca -0.20 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3cim n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cim s ARG 41 N -2.54 4.11 0.01 1.61 0.52 -0.48 -1.54 118.95 120.62 3cim s ARG 41 Ca 0.00 0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.45 3cim s ARG 41 Cb 0.00 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 3cim s ARG 41 CO 0.00 -0.19 -0.08 0.14 0.02 0.00 0.00 175.30 175.19 3cim s VAL 42 N 1.79 0.66 -0.02 3.52 -7.23 -0.58 -2.37 120.40 116.16 3cim s VAL 42 Ca 0.19 -0.52 0.07 0.00 -1.81 0.00 0.00 61.98 59.91 3cim s VAL 42 Cb -0.15 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.19 3cim s VAL 42 CO 0.09 0.07 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.85 3cim s THR 43 N -0.43 1.70 -0.00 5.32 2.01 0.00 -0.63 115.64 123.61 3cim s THR 43 Ca 0.01 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.13 3cim s THR 43 Cb -0.05 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 3cim s THR 43 CO -0.00 0.48 -0.09 0.68 -0.69 0.00 0.00 174.62 175.00 3cim s VAL 44 N -0.48 3.50 -0.08 3.82 -7.23 -0.48 -0.85 120.40 118.60 3cim s VAL 44 Ca 0.08 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3cim s VAL 44 Cb -0.09 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.36 3cim s VAL 44 CO -0.01 0.41 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.41 3cim s ILE 45 N -0.96 1.40 0.24 -0.62 1.09 -0.53 -1.88 121.20 119.93 3cim s ILE 45 Ca 0.16 -0.63 0.12 0.00 -1.10 0.00 0.00 60.65 59.20 3cim s ILE 45 Cb -0.11 -1.25 -0.05 0.00 -1.06 0.00 0.00 42.46 39.99 3cim s ILE 45 CO 0.06 0.41 -0.21 0.68 -0.10 0.00 0.00 174.94 175.78 3cim s VAL 46 N 0.62 2.39 0.04 2.92 -7.23 0.15 -0.74 120.40 118.55 3cim s VAL 46 Ca -0.15 -2.23 0.07 0.00 -1.81 0.00 0.00 61.98 57.85 3cim s VAL 46 Cb -0.16 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 3cim s VAL 46 CO 0.04 -0.29 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.76 3cim s ARG 47 N -3.15 1.26 0.00 4.82 3.52 -0.22 -1.12 118.95 124.06 3cim s ARG 47 Ca 0.26 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3cim s ARG 47 Cb -0.06 -1.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.99 3cim s ARG 47 CO 0.12 0.34 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 3cim n GLY 48 N 1.90 -1.51 3.72 8.12 0.00 -0.92 -1.24 105.19 115.26 3cim n GLY 48 Ca -0.17 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3cim n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cim n ASP 49 N 1.20 2.36 -0.18 1.61 8.00 -1.26 -1.28 116.55 127.00 3cim n ASP 49 Ca 0.00 0.94 -0.04 0.00 0.71 0.00 0.00 54.79 56.41 3cim n ASP 49 Cb 0.00 -1.55 0.03 0.00 -0.02 0.00 0.00 41.12 39.58 3cim n ASP 49 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3cim h VAL 50 N 1.22 0.30 -0.64 2.53 2.07 -1.93 0.17 116.25 119.98 3cim h VAL 50 Ca -0.50 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3cim h VAL 50 Cb 1.32 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3cim h VAL 50 CO 0.56 0.00 0.25 -1.28 0.02 0.00 0.00 177.57 177.12 3cim h SER 51 N -0.11 0.86 -0.32 0.57 0.87 -2.00 -1.16 113.55 112.26 3cim h SER 51 Ca 0.25 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3cim h SER 51 Cb 0.50 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3cim h SER 51 CO -0.62 0.77 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.10 3cim h GLU 52 N 0.92 0.59 -0.84 2.24 4.39 -1.65 -2.00 114.58 118.23 3cim h GLU 52 Ca 0.22 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3cim h GLU 52 Cb 0.18 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3cim h GLU 52 CO -0.02 0.74 0.41 0.28 -1.16 0.00 0.00 179.01 179.25 3cim h VAL 53 N 0.38 1.26 -0.28 3.13 2.07 -0.65 0.33 116.25 122.48 3cim h VAL 53 Ca 0.09 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3cim h VAL 53 Cb 0.49 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3cim h VAL 53 CO 0.02 0.31 0.15 1.56 0.02 0.00 0.00 177.57 179.63 3cim h GLN 54 N 1.19 0.31 -0.70 1.57 4.20 -1.10 -0.01 115.11 120.57 3cim h GLN 54 Ca 0.29 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 3cim h GLN 54 Cb 0.11 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3cim h GLN 54 CO -0.04 0.20 0.38 0.00 -0.67 0.00 0.00 178.83 178.70 3cim h ALA 55 N 1.13 0.90 -0.28 3.87 0.00 -1.00 -2.61 119.26 121.27 3cim h ALA 55 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3cim h ALA 55 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3cim h ALA 55 CO -0.06 0.42 0.12 0.66 0.00 0.00 0.00 179.25 180.39 3cim h SER 56 N 0.97 0.38 -0.57 0.00 4.64 -0.59 -2.00 113.55 116.37 3cim h SER 56 Ca 0.25 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3cim h SER 56 Cb 0.05 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3cim h SER 56 CO -0.04 0.42 0.05 0.58 -0.87 0.00 0.00 176.83 176.96 3cim h VAL 57 N 0.31 1.26 -0.32 0.95 2.07 -0.92 0.11 116.25 119.71 3cim h VAL 57 Ca 0.09 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3cim h VAL 57 Cb 0.15 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3cim h VAL 57 CO -0.01 0.38 0.15 -1.28 0.02 0.00 0.00 177.57 176.83 3cim h SER 58 N 0.87 0.20 -0.75 0.57 0.87 -1.42 -0.61 113.55 113.28 3cim h SER 58 Ca 0.17 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3cim h SER 58 Cb 0.48 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 3cim h SER 58 CO 0.02 0.16 0.27 0.00 -0.53 0.00 0.00 176.83 176.75 3cim h ALA 59 N 1.18 0.97 -0.69 6.23 0.00 -0.99 -2.55 119.26 123.41 3cim h ALA 59 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3cim h ALA 59 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3cim h ALA 59 CO -0.11 0.62 0.20 0.78 0.00 0.00 0.00 179.25 180.74 3cim h GLY 60 N 1.09 1.15 0.85 0.00 0.00 -0.34 -1.47 103.07 104.35 3cim h GLY 60 Ca 0.25 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3cim h GLY 60 CO -0.02 0.64 0.05 -2.22 0.00 0.00 0.00 176.54 174.99 3cim h ILE 61 N 1.02 1.20 -0.68 2.60 2.04 -0.99 -0.19 117.51 122.52 3cim h ILE 61 Ca 0.22 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.44 3cim h ILE 61 Cb 0.31 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3cim h ILE 61 CO -0.00 0.20 0.45 -0.33 0.00 0.00 0.00 178.15 178.47 3cim h GLU 62 N 0.13 0.89 -0.21 2.37 5.08 -1.31 -1.30 114.58 120.23 3cim h GLU 62 Ca 0.06 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 3cim h GLU 62 Cb 0.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3cim h GLU 62 CO 0.00 0.59 -0.57 0.00 -1.00 0.00 0.00 179.01 178.03 3cim h ALA 63 N 1.25 0.35 -0.27 3.43 0.00 -1.19 -3.20 119.26 119.63 3cim h ALA 63 Ca 0.25 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3cim h ALA 63 Cb -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3cim h ALA 63 CO -0.06 0.57 -0.21 0.00 0.00 0.00 0.00 179.25 179.55 3cim h ALA 64 N 0.60 1.14 -0.03 0.00 0.00 -0.81 -2.14 119.26 118.02 3cim h ALA 64 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3cim h ALA 64 Cb 1.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3cim h ALA 64 CO 0.12 0.54 0.02 -0.91 0.00 0.00 0.00 179.25 179.03 3cim h ASN 65 N 0.44 0.02 0.54 0.00 2.35 -1.24 -2.32 115.58 115.37 3cim h ASN 65 Ca 0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3cim h ASN 65 Cb 0.61 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3cim h ASN 65 CO 0.04 0.01 -0.26 0.54 -1.65 0.00 0.00 177.43 176.12 3cim n ARG 66 N -4.53 0.29 -2.12 0.81 1.74 -0.81 -4.73 116.66 107.31 3cim n ARG 66 Ca -0.02 -0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 3cim n ARG 66 Cb 0.11 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 3cim n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3cim s VAL 67 N -2.80 2.73 -0.18 1.55 1.01 -0.87 -4.90 120.40 116.94 3cim s VAL 67 Ca 0.18 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3cim s VAL 67 Cb 0.19 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3cim s VAL 67 CO 0.58 0.15 2.04 0.20 0.00 0.00 0.00 175.10 178.08 3cim s ASN 68 N -0.58 5.81 -0.03 3.32 0.02 -1.26 -0.26 114.94 121.97 3cim s ASN 68 Ca 0.51 1.94 0.00 0.00 -1.02 0.00 0.00 52.86 54.29 3cim s ASN 68 Cb -0.39 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.36 3cim s ASN 68 CO 0.51 -1.67 0.00 0.61 0.02 0.00 0.00 177.10 176.57 3cim n GLY 69 N 5.35 0.45 3.75 0.66 0.00 -1.26 -4.99 105.19 109.15 3cim n GLY 69 Ca 0.26 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 3cim n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cim s GLY 70 N -2.49 2.72 -0.20 -0.02 0.00 0.64 -4.96 107.32 103.01 3cim s GLY 70 Ca 0.00 1.04 -0.04 0.00 0.00 0.00 0.00 44.72 45.72 3cim s GLY 70 CO 0.00 1.87 0.09 1.85 0.00 0.00 0.00 173.10 176.91 3cim s GLU 71 N -0.65 0.18 -0.11 2.90 2.12 -1.26 -4.85 118.70 117.03 3cim s GLU 71 Ca 0.52 -0.24 -0.27 0.00 0.36 0.00 0.00 54.97 55.34 3cim s GLU 71 Cb -0.35 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.29 3cim s GLU 71 CO 0.40 -0.75 0.86 0.08 -0.54 0.00 0.00 175.26 175.32 3cim s VAL 72 N 2.08 4.89 -0.27 3.70 1.01 -1.26 -0.52 120.40 130.04 3cim s VAL 72 Ca 0.03 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 3cim s VAL 72 Cb -0.16 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.88 3cim s VAL 72 CO -0.15 0.09 -0.27 0.18 0.00 0.00 0.00 175.10 174.95 3cim n LEU 73 N 4.68 2.69 -3.60 3.92 4.77 0.47 -4.92 117.00 125.00 3cim n LEU 73 Ca 0.04 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 3cim n LEU 73 Cb 0.50 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 3cim n LEU 73 CO 0.49 0.84 0.35 -0.55 -1.33 0.00 0.00 177.39 177.19 3cim s SER 74 N -6.80 -0.60 0.03 -1.43 0.15 -1.11 -5.02 113.70 98.91 3cim s SER 74 Ca -0.36 0.87 -0.03 0.00 0.70 0.00 0.00 55.95 57.12 3cim s SER 74 Cb 0.11 0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 65.22 3cim s SER 74 CO 0.57 -0.44 0.04 0.28 1.20 0.00 0.00 173.24 174.89 3cim s THR 75 N -0.60 0.13 -0.13 6.45 -1.32 -1.26 -0.71 115.64 118.19 3cim s THR 75 Ca -0.07 -1.06 -0.30 0.00 -1.21 0.00 0.00 61.69 59.05 3cim s THR 75 Cb -0.02 -0.68 0.11 0.00 -1.51 0.00 0.00 72.50 70.39 3cim s THR 75 CO 0.06 -0.59 0.88 -2.28 -2.21 0.00 0.00 174.62 170.48 3cim s HIS 76 N -2.19 -0.49 -0.05 9.09 5.04 -0.72 -5.01 115.29 120.96 3cim s HIS 76 Ca -0.09 0.88 0.05 0.00 -1.54 0.00 0.00 55.06 54.37 3cim s HIS 76 Cb -0.04 0.42 -0.01 0.00 0.04 0.00 0.00 32.58 33.00 3cim s HIS 76 CO -0.03 -0.43 -0.20 0.42 -2.34 0.00 0.00 174.74 172.16 3cim s ILE 77 N -1.00 1.66 -0.20 0.89 1.01 -1.26 -0.88 121.20 121.42 3cim s ILE 77 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3cim s ILE 77 Cb -0.01 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 41.07 3cim s ILE 77 CO 0.04 0.47 -0.16 -0.63 0.00 0.00 0.00 174.94 174.66 3cim s ILE 78 N -0.08 2.27 0.15 2.92 1.01 -0.25 -5.00 121.20 122.22 3cim s ILE 78 Ca -0.03 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 3cim s ILE 78 Cb -0.12 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3cim s ILE 78 CO 0.02 0.40 1.51 0.00 0.00 0.00 0.00 174.94 176.87 3cim h ALA 79 N 7.93 0.63 -2.23 9.38 0.00 -1.93 -0.24 119.26 132.80 3cim h ALA 79 Ca -0.40 -0.44 -0.58 0.00 0.00 0.00 0.00 54.91 53.50 3cim h ALA 79 Cb 1.12 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.39 3cim h ALA 79 CO 0.60 0.68 -0.99 0.54 0.00 0.00 0.00 179.25 180.08 3cim n ARG 80 N -4.07 0.70 -1.98 0.00 1.74 -1.26 -2.58 116.66 109.21 3cim n ARG 80 Ca -0.01 -3.38 -0.38 0.00 -0.77 0.00 0.00 57.85 53.30 3cim n ARG 80 Cb 0.52 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.44 3cim n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3cim s PRO 81 N -0.79 3.57 0.36 5.56 0.04 -1.26 -4.94 135.00 137.54 3cim s PRO 81 Ca 0.34 2.12 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 3cim s PRO 81 Cb 0.10 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 3cim s PRO 81 CO -0.14 -0.81 1.34 -1.58 0.04 0.00 0.00 177.00 175.85 3cim s HIS 82 N -1.34 2.90 0.52 0.56 2.46 -1.26 -4.90 115.29 114.22 3cim s HIS 82 Ca 0.65 1.37 0.25 0.00 0.47 0.00 0.00 55.06 57.80 3cim s HIS 82 Cb -0.37 -3.74 1.38 0.00 -0.13 0.00 0.00 32.58 29.72 3cim s HIS 82 CO 0.46 -2.12 1.98 1.05 -2.47 0.00 0.00 174.74 173.63 3cim h GLU 83 N 3.10 0.04 0.00 2.88 4.11 -2.04 -1.62 114.58 121.05 3cim h GLU 83 Ca -0.49 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 3cim h GLU 83 Cb 1.23 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 3cim h GLU 83 CO 0.64 0.02 -0.09 -0.97 0.07 0.00 0.00 179.01 178.69 3cim h ASN 84 N 0.04 0.00 0.53 3.06 -0.00 -2.03 -2.58 115.58 114.59 3cim h ASN 84 Ca 0.29 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.50 3cim h ASN 84 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.40 3cim h ASN 84 CO -0.01 0.09 -0.41 -0.07 -0.00 0.00 0.00 177.43 177.02 3cim h LEU 85 N 0.00 0.00 -1.34 0.34 4.07 -1.67 -3.24 115.31 113.47 3cim h LEU 85 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3cim h LEU 85 Cb 0.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3cim h LEU 85 CO 0.01 0.41 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.33 3cim h GLU 86 N 0.00 0.29 -0.12 1.13 5.08 -1.62 -0.42 114.58 118.91 3cim h GLU 86 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3cim h GLU 86 Cb 0.78 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3cim h GLU 86 CO 0.05 0.42 0.00 2.48 -1.00 0.00 0.00 179.01 180.97 3cim n TYR 87 N -4.26 0.14 -0.05 4.33 0.18 -1.22 -4.46 117.16 111.80 3cim n TYR 87 Ca -0.00 -0.08 -0.08 0.00 1.88 0.00 0.00 57.90 59.62 3cim n TYR 87 Cb 0.27 -0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.18 3cim n TYR 87 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3cim n VAL 88 N 1.24 0.62 -4.29 -3.48 0.31 -0.95 -5.03 118.33 106.75 3cim n VAL 88 Ca 0.14 -0.23 -0.34 0.00 -0.01 0.00 0.00 64.34 63.90 3cim n VAL 88 Cb 0.54 -0.98 -0.09 0.00 -0.91 0.00 0.00 33.84 32.40 3cim n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3cim s LEU 89 N -5.76 3.62 -0.11 7.52 1.43 -0.21 -5.00 118.68 120.17 3cim s LEU 89 Ca -0.15 0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3cim s LEU 89 Cb 0.04 -1.95 -0.15 0.00 0.03 0.00 0.00 46.19 44.16 3cim s LEU 89 CO 0.24 0.33 3.20 -0.81 0.23 0.00 0.00 176.35 179.54 3cim n PRO 90 N 1.75 1.96 0.05 1.29 -0.04 -1.26 -4.27 135.00 134.48 3cim n PRO 90 Ca -0.16 -1.18 -0.07 0.00 -0.04 0.00 0.00 63.50 62.05 3cim n PRO 90 Cb 0.53 -1.90 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 3cim n PRO 90 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3cim h ILE 91 N 1.84 1.55 -0.27 0.52 3.07 -1.87 -3.36 117.51 118.99 3cim h ILE 91 Ca 0.21 -3.26 -0.18 0.00 1.55 0.00 0.00 64.86 63.18 3cim h ILE 91 Cb 1.27 2.76 -0.13 0.00 -0.27 0.00 0.00 36.82 40.46 3cim h ILE 91 CO 0.36 0.88 -0.44 0.18 -1.05 0.00 0.00 178.15 178.08 3cim n LEU 92 N -3.30 3.66 -0.22 0.16 4.77 -1.26 -4.23 117.00 116.58 3cim n LEU 92 Ca -0.02 -4.08 0.08 0.00 -0.03 0.00 0.00 56.01 51.95 3cim n LEU 92 Cb 0.95 -0.53 0.34 0.00 -2.33 0.00 0.00 43.42 41.86 3cim n LEU 92 CO 0.46 1.53 1.22 -0.08 -1.33 0.00 0.00 177.39 179.20 3cim h GLU 93 N 1.28 0.75 -0.24 3.23 4.81 -1.59 -1.05 114.58 121.78 3cim h GLU 93 Ca 0.15 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3cim h GLU 93 Cb 1.27 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3cim h GLU 93 CO 0.30 0.50 -0.03 0.72 -0.73 0.00 0.00 179.01 179.77 3cim n HIS 94 N -4.50 0.80 -3.04 0.92 8.25 0.10 -4.93 115.22 112.83 3cim n HIS 94 Ca 0.13 -1.11 -0.42 0.00 -0.26 0.00 0.00 57.72 56.06 3cim n HIS 94 Cb 0.28 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 3cim n HIS 94 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3cim s HIS 95 N -2.96 3.16 0.00 4.41 5.65 -0.40 -4.78 115.29 120.37 3cim s HIS 95 Ca 0.41 0.53 0.00 0.00 0.25 0.00 0.00 55.06 56.25 3cim s HIS 95 Cb 0.35 -3.20 0.00 0.00 -1.18 0.00 0.00 32.58 28.55 3cim s HIS 95 CO 0.05 -0.62 0.00 0.72 -0.65 0.00 0.00 174.74 174.24