#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cim s ILE 3 N 0.00 3.07 0.14 0.44 1.01 -1.26 -0.34 121.20 124.25 3cim s ILE 3 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.73 3cim s ILE 3 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3cim s ILE 3 CO 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 174.94 175.14 3cim s ALA 4 N -1.18 1.17 0.01 9.38 0.00 0.68 -0.80 121.76 131.02 3cim s ALA 4 Ca 0.48 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3cim s ALA 4 Cb -0.36 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3cim s ALA 4 CO 0.47 -0.27 -0.11 0.14 0.00 0.00 0.00 175.76 175.98 3cim s VAL 5 N -3.63 3.31 -0.01 0.00 -7.23 -0.43 -1.96 120.40 110.44 3cim s VAL 5 Ca 0.18 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 59.52 3cim s VAL 5 Cb 0.05 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 3cim s VAL 5 CO -0.00 0.40 -0.22 -0.83 -0.31 0.00 0.00 175.10 174.14 3cim s GLY 6 N -1.34 1.07 -0.04 2.32 0.00 -0.11 -0.85 107.32 108.36 3cim s GLY 6 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.95 3cim s GLY 6 CO 0.06 -0.80 -0.09 1.06 0.00 0.00 0.00 173.10 173.34 3cim s MET 7 N -0.56 1.13 -0.12 2.90 -1.94 0.08 -0.74 119.30 120.05 3cim s MET 7 Ca 0.08 -0.29 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 3cim s MET 7 Cb -0.08 -1.02 0.02 0.00 2.01 0.00 0.00 34.83 35.75 3cim s MET 7 CO -0.01 0.04 -0.16 0.42 -0.01 0.00 0.00 175.02 175.31 3cim s ILE 8 N 0.49 1.57 -0.17 2.53 1.01 -0.76 -1.68 121.20 124.19 3cim s ILE 8 Ca -0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3cim s ILE 8 Cb -0.12 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3cim s ILE 8 CO 0.01 0.46 -0.01 -0.70 0.00 0.00 0.00 174.94 174.70 3cim s GLU 9 N 1.09 3.69 0.31 2.79 2.12 0.30 -1.34 118.70 127.65 3cim s GLU 9 Ca -0.04 -0.50 0.11 0.00 0.36 0.00 0.00 54.97 54.90 3cim s GLU 9 Cb -0.14 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 3cim s GLU 9 CO -0.04 0.17 -0.16 0.95 -0.54 0.00 0.00 175.26 175.65 3cim s THR 10 N 0.56 2.39 -0.39 -1.70 -4.23 0.20 -0.16 115.64 112.31 3cim s THR 10 Ca -0.02 -2.33 -0.15 0.00 -1.18 0.00 0.00 61.69 58.01 3cim s THR 10 Cb -0.14 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.27 3cim s THR 10 CO 0.02 -0.32 0.35 -0.60 -0.54 0.00 0.00 174.62 173.53 3cim s ARG 11 N -3.55 3.19 0.00 3.99 6.06 0.04 -1.27 118.95 127.40 3cim s ARG 11 Ca 0.31 -0.78 0.00 0.00 -2.50 0.00 0.00 55.73 52.76 3cim s ARG 11 Cb -0.02 -3.92 0.00 0.00 0.06 0.00 0.00 34.95 31.07 3cim s ARG 11 CO 0.16 -0.70 0.00 0.41 -2.50 0.00 0.00 175.30 172.67 3cim n GLY 12 N 5.10 3.03 0.10 8.12 0.00 -0.65 -4.02 105.19 116.86 3cim n GLY 12 Ca -0.10 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 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 0.29 -0.90 1.61 3.57 -1.92 -3.13 116.94 116.45 3cim h PHE 13 Ca 0.00 -0.19 0.12 0.00 3.53 0.00 0.00 57.97 61.42 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 1.11 0.58 -1.35 -2.23 0.00 0.00 178.31 176.42 3cim h PRO 14 N -0.62 0.80 -0.26 6.41 0.11 -1.98 -1.09 132.00 135.38 3cim h PRO 14 Ca -0.06 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 3cim h PRO 14 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3cim h PRO 14 CO 0.07 0.53 -0.27 0.00 -0.21 0.00 0.00 178.00 178.12 3cim h ALA 15 N 1.57 1.05 -0.13 -0.75 0.00 -1.91 -1.69 119.26 117.40 3cim h ALA 15 Ca 0.43 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3cim h ALA 15 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3cim h ALA 15 CO -0.20 0.58 -0.47 -0.24 0.00 0.00 0.00 179.25 178.92 3cim h VAL 16 N 0.44 1.33 -0.31 0.00 3.04 -1.18 -0.06 116.25 119.53 3cim h VAL 16 Ca 0.06 -1.67 -0.07 0.00 -1.01 0.00 0.00 66.70 64.01 3cim h VAL 16 Cb 0.71 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 3cim h VAL 16 CO 0.05 0.50 -0.09 0.58 -1.01 0.00 0.00 177.57 177.61 3cim h VAL 17 N 0.25 1.28 -0.74 1.51 2.07 -1.00 -1.05 116.25 118.58 3cim h VAL 17 Ca 0.01 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3cim h VAL 17 Cb 0.93 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3cim h VAL 17 CO 0.08 0.37 0.44 -0.08 0.02 0.00 0.00 177.57 178.39 3cim h GLU 18 N 0.37 1.01 -0.28 1.57 4.57 -1.20 -0.37 114.58 120.25 3cim h GLU 18 Ca 0.08 -0.10 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3cim h GLU 18 Cb 0.58 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3cim h GLU 18 CO 0.03 0.73 0.04 0.00 -1.18 0.00 0.00 179.01 178.63 3cim h ALA 19 N 1.23 0.28 -0.30 2.92 0.00 -0.84 -0.74 119.26 121.81 3cim h ALA 19 Ca 0.27 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3cim h ALA 19 Cb -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cim h ALA 19 CO -0.05 -0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.00 3cim h ALA 20 N 1.22 0.39 -0.28 0.00 0.00 -0.87 -0.99 119.26 118.72 3cim h ALA 20 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3cim h ALA 20 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cim h ALA 20 CO -0.19 -0.09 0.15 0.22 0.00 0.00 0.00 179.25 179.34 3cim h ASP 21 N 0.38 0.36 -0.26 0.00 3.58 -0.89 -1.80 116.42 117.79 3cim h ASP 21 Ca 0.11 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 3cim h ASP 21 Cb 0.04 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3cim h ASP 21 CO -0.02 0.35 -0.08 0.77 -2.88 0.00 0.00 179.24 177.37 3cim h SER 22 N 0.34 0.63 0.01 2.28 4.64 -1.04 -2.31 113.55 118.10 3cim h SER 22 Ca 0.10 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 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 -0.00 0.24 -0.87 0.00 0.00 176.83 176.93 3cim h MET 23 N 0.60 -0.01 0.00 4.77 2.86 -0.89 -2.00 114.93 120.25 3cim h MET 23 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3cim h MET 23 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3cim h MET 23 CO 0.03 0.01 0.00 -0.39 1.06 0.00 0.00 176.91 177.62 3cim h VAL 24 N -0.03 0.00 0.00 -2.22 -1.51 -1.20 -2.88 116.25 108.41 3cim h VAL 24 Ca -0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3cim h VAL 24 Cb 0.03 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3cim h VAL 24 CO 0.00 0.00 -0.68 0.11 -1.23 0.00 0.00 177.57 175.77 3cim h LYS 25 N 0.00 0.00 0.00 5.19 1.57 -1.27 -3.38 116.57 118.68 3cim h LYS 25 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3cim h LYS 25 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3cim h LYS 25 CO 0.00 0.00 -1.00 0.00 -0.57 0.00 0.00 179.45 177.88 3cim h ALA 26 N 2.04 0.65 -3.00 3.86 0.00 -1.13 -3.49 119.26 118.20 3cim h ALA 26 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.31 3cim h ALA 26 Cb 0.98 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3cim h ALA 26 CO 0.00 0.71 0.25 0.00 0.00 0.00 0.00 179.25 180.20 3cim s ALA 27 N -2.98 -0.88 -1.25 0.00 0.00 -1.23 -4.82 121.76 110.59 3cim s ALA 27 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 3cim s ALA 27 Cb 0.08 0.75 0.13 0.00 0.00 0.00 0.00 23.12 24.08 3cim s ALA 27 CO 0.78 -1.00 1.59 -2.13 0.00 0.00 0.00 175.76 175.00 3cim n ARG 28 N -0.50 3.31 -4.22 0.00 3.00 -1.26 -4.79 116.66 112.20 3cim n ARG 28 Ca -0.07 -3.60 -0.13 0.00 -0.00 0.00 0.00 57.85 54.06 3cim n ARG 28 Cb 0.60 -3.20 -0.10 0.00 0.00 0.00 0.00 32.46 29.76 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 2.46 0.97 -0.05 5.15 -7.23 -1.26 -4.43 120.40 116.01 3cim s VAL 29 Ca 0.47 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3cim s VAL 29 Cb 0.01 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 3cim s VAL 29 CO 0.03 -0.79 -0.16 0.28 -0.31 0.00 0.00 175.10 174.15 3cim s THR 30 N -3.45 2.93 -0.14 5.32 -1.32 -0.39 -4.81 115.64 113.78 3cim s THR 30 Ca 0.15 -0.77 -0.29 0.00 -1.21 0.00 0.00 61.69 59.57 3cim s THR 30 Cb 0.04 -2.14 -0.01 0.00 -1.51 0.00 0.00 72.50 68.88 3cim s THR 30 CO -0.01 0.58 1.11 -0.22 -2.21 0.00 0.00 174.62 173.87 3cim s LEU 31 N -0.61 4.20 0.00 9.08 2.96 -1.26 -0.92 118.68 132.12 3cim s LEU 31 Ca 0.09 1.58 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 3cim s LEU 31 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3cim s LEU 31 CO 0.01 -0.61 0.00 1.33 -1.32 0.00 0.00 176.35 175.76 3cim n VAL 32 N 4.96 0.00 -3.66 1.68 0.24 0.48 -4.86 118.33 117.17 3cim n VAL 32 Ca 0.11 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3cim n VAL 32 Cb 0.47 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.73 -0.31 -0.15 7.63 0.00 -0.92 -0.75 107.32 112.07 3cim s GLY 33 Ca 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 44.72 45.26 3cim s GLY 33 CO 0.00 0.31 0.25 -0.47 0.00 0.00 0.00 173.10 173.20 3cim s TYR 34 N -1.71 -0.40 -0.06 1.90 5.04 -1.26 -1.36 117.35 119.50 3cim s TYR 34 Ca -0.10 0.74 0.03 0.00 -2.44 0.00 0.00 57.07 55.30 3cim s TYR 34 Cb -0.02 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.16 3cim s TYR 34 CO 0.03 -0.44 -0.16 -2.00 -1.34 0.00 0.00 175.55 171.64 3cim s GLU 35 N 2.40 1.98 -0.14 4.97 2.56 0.30 -4.98 118.70 125.79 3cim s GLU 35 Ca 0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 54.97 54.40 3cim s GLU 35 Cb -0.13 -1.63 -0.03 0.00 2.00 0.00 0.00 34.13 34.35 3cim s GLU 35 CO -0.10 0.14 -0.06 0.15 -0.56 0.00 0.00 175.26 174.84 3cim s LYS 36 N 0.35 3.55 0.00 4.30 1.02 -1.26 -0.69 119.74 127.00 3cim s LYS 36 Ca -0.11 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.33 3cim s LYS 36 Cb -0.14 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 3cim s LYS 36 CO 0.04 0.28 0.65 0.44 -0.92 0.00 0.00 175.35 175.84 3cim n ILE 37 N 3.40 0.41 0.00 2.17 -5.35 -1.04 -5.05 119.36 113.90 3cim n ILE 37 Ca -0.18 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3cim n ILE 37 Cb 0.53 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.20 -0.04 2.41 3.28 0.00 -1.26 -4.93 105.19 104.45 3cim n GLY 38 Ca 0.00 -1.91 -0.18 0.00 0.00 0.00 0.00 46.02 43.93 3cim n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cim n SER 39 N -0.45 -5.17 0.00 1.61 7.64 -1.26 -1.30 113.62 114.70 3cim n SER 39 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3cim n SER 39 Cb 0.00 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 3cim n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cim n GLY 40 N -0.82 0.56 3.65 0.23 0.00 -1.26 -4.96 105.19 102.59 3cim n GLY 40 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.21 4.13 0.02 1.61 0.52 -0.42 -1.63 118.95 122.97 3cim s ARG 41 Ca 0.00 0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.48 3cim s ARG 41 Cb 0.00 -3.59 -0.01 0.00 0.52 0.00 0.00 34.95 31.87 3cim s ARG 41 CO 0.00 -0.17 -0.08 0.14 0.02 0.00 0.00 175.30 175.21 3cim s VAL 42 N 1.74 0.58 -0.02 3.52 -7.23 -0.40 -2.49 120.40 116.10 3cim s VAL 42 Ca 0.20 -0.65 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 3cim s VAL 42 Cb -0.15 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 3cim s VAL 42 CO 0.09 -0.07 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.75 3cim s THR 43 N -0.67 1.40 0.01 5.32 2.01 0.13 -0.63 115.64 123.20 3cim s THR 43 Ca -0.02 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.29 3cim s THR 43 Cb -0.06 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3cim s THR 43 CO 0.00 0.40 -0.12 0.68 -0.69 0.00 0.00 174.62 174.89 3cim s VAL 44 N -0.29 3.23 -0.06 3.82 -7.23 -0.45 -0.53 120.40 118.89 3cim s VAL 44 Ca 0.04 -0.92 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3cim s VAL 44 Cb -0.08 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.50 3cim s VAL 44 CO 0.00 0.41 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.42 3cim s ILE 45 N -0.92 1.31 0.28 -0.62 1.09 -0.46 -1.82 121.20 120.05 3cim s ILE 45 Ca 0.15 -0.61 0.12 0.00 -1.10 0.00 0.00 60.65 59.21 3cim s ILE 45 Cb -0.11 -1.16 -0.05 0.00 -1.06 0.00 0.00 42.46 40.08 3cim s ILE 45 CO 0.05 0.39 -0.17 0.68 -0.10 0.00 0.00 174.94 175.80 3cim s VAL 46 N 0.41 2.65 -0.00 2.92 -7.23 0.08 -0.39 120.40 118.84 3cim s VAL 46 Ca -0.11 -2.32 0.02 0.00 -1.81 0.00 0.00 61.98 57.76 3cim s VAL 46 Cb -0.14 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 3cim s VAL 46 CO 0.04 -0.39 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.76 3cim s ARG 47 N -3.52 0.58 0.00 4.82 3.52 -0.10 -0.94 118.95 123.31 3cim s ARG 47 Ca 0.30 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3cim s ARG 47 Cb -0.05 -0.54 0.00 0.00 -1.56 0.00 0.00 34.95 32.79 3cim s ARG 47 CO 0.16 0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 3cim n GLY 48 N 2.77 -1.37 3.70 8.12 0.00 -0.83 -1.26 105.19 116.32 3cim n GLY 48 Ca -0.14 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 0.91 2.30 -0.21 1.61 8.00 -1.26 -0.23 116.55 127.67 3cim n ASP 49 Ca 0.00 1.04 0.02 0.00 0.71 0.00 0.00 54.79 56.56 3cim n ASP 49 Cb 0.00 -1.50 0.13 0.00 -0.02 0.00 0.00 41.12 39.73 3cim n ASP 49 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3cim h VAL 50 N 1.72 0.63 -0.65 2.53 3.04 -0.99 -0.34 116.25 122.19 3cim h VAL 50 Ca -0.48 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.07 3cim h VAL 50 Cb 1.31 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 3cim h VAL 50 CO 0.58 0.05 0.25 0.77 -1.01 0.00 0.00 177.57 178.21 3cim h SER 51 N 0.29 0.89 -0.49 3.17 4.64 -1.90 0.18 113.55 120.33 3cim h SER 51 Ca 0.34 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3cim h SER 51 Cb 0.51 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3cim h SER 51 CO -0.41 0.80 0.10 -0.33 -0.87 0.00 0.00 176.83 176.11 3cim h GLU 52 N 0.95 0.79 -0.60 4.77 4.39 -1.64 -1.98 114.58 121.27 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 0.20 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3cim h GLU 52 CO -0.02 0.78 0.27 0.28 -1.16 0.00 0.00 179.01 179.16 3cim h VAL 53 N 0.67 1.22 -0.42 3.13 2.07 -0.68 0.03 116.25 122.28 3cim h VAL 53 Ca 0.15 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.07 3cim h VAL 53 Cb 0.36 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3cim h VAL 53 CO 0.01 0.26 0.15 1.56 0.02 0.00 0.00 177.57 179.57 3cim h GLN 54 N 0.82 0.31 -0.71 1.57 4.20 -0.83 0.57 115.11 121.04 3cim h GLN 54 Ca 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3cim h GLN 54 Cb 0.16 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3cim h GLN 54 CO -0.02 0.21 0.42 0.00 -0.67 0.00 0.00 178.83 178.77 3cim h ALA 55 N 1.27 0.90 -0.31 3.87 0.00 -1.00 -2.00 119.26 121.99 3cim h ALA 55 Ca 0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3cim h ALA 55 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3cim h ALA 55 CO -0.19 0.38 -0.13 0.66 0.00 0.00 0.00 179.25 179.97 3cim h SER 56 N 0.97 0.65 -0.61 0.00 4.64 -0.49 -1.71 113.55 117.01 3cim h SER 56 Ca 0.25 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3cim h SER 56 Cb -0.02 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 3cim h SER 56 CO -0.05 0.91 0.30 0.58 -0.87 0.00 0.00 176.83 177.70 3cim h VAL 57 N 0.40 1.21 -0.39 0.95 2.07 -0.82 0.43 116.25 120.11 3cim h VAL 57 Ca 0.07 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.04 3cim h VAL 57 Cb 0.65 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3cim h VAL 57 CO 0.04 0.24 0.15 -1.28 0.02 0.00 0.00 177.57 176.74 3cim h SER 58 N 0.83 0.17 -0.82 0.57 0.87 -1.25 -1.10 113.55 112.82 3cim h SER 58 Ca 0.21 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 3cim h SER 58 Cb 0.11 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3cim h SER 58 CO -0.03 0.13 0.44 0.00 -0.53 0.00 0.00 176.83 176.84 3cim h ALA 59 N 1.24 1.05 -0.53 6.23 0.00 -0.87 -2.40 119.26 123.98 3cim h ALA 59 Ca 0.18 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3cim h ALA 59 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3cim h ALA 59 CO -0.17 0.57 -0.07 0.78 0.00 0.00 0.00 179.25 180.35 3cim h GLY 60 N 1.14 1.04 0.77 0.00 0.00 -0.45 -1.18 103.07 104.39 3cim h GLY 60 Ca 0.29 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3cim h GLY 60 CO -0.04 0.73 -0.02 -2.22 0.00 0.00 0.00 176.54 174.99 3cim h ILE 61 N 0.86 1.14 -0.54 2.60 2.04 -1.10 -0.04 117.51 122.48 3cim h ILE 61 Ca 0.14 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.56 3cim h ILE 61 Cb 0.61 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 3cim h ILE 61 CO 0.04 0.14 0.16 -0.33 0.00 0.00 0.00 178.15 178.16 3cim h GLU 62 N -0.27 0.31 -0.21 2.37 5.08 -1.32 -0.91 114.58 119.62 3cim h GLU 62 Ca -0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3cim h GLU 62 Cb 0.26 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3cim h GLU 62 CO 0.01 0.21 -0.23 0.00 -1.00 0.00 0.00 179.01 177.99 3cim h ALA 63 N 1.39 0.32 -0.26 3.43 0.00 -1.11 -3.18 119.26 119.84 3cim h ALA 63 Ca 0.27 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3cim h ALA 63 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3cim h ALA 63 CO -0.30 0.28 -0.22 0.00 0.00 0.00 0.00 179.25 179.00 3cim h ALA 64 N 0.65 1.12 -0.04 0.00 0.00 -0.80 -1.75 119.26 118.44 3cim h ALA 64 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3cim h ALA 64 Cb 0.79 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3cim h ALA 64 CO 0.06 0.55 0.03 -0.91 0.00 0.00 0.00 179.25 178.97 3cim h ASN 65 N 0.44 0.01 0.60 0.00 2.35 -1.18 -2.53 115.58 115.27 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 0.63 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3cim h ASN 65 CO 0.05 0.01 -0.17 0.54 -1.65 0.00 0.00 177.43 176.20 3cim n ARG 66 N -4.53 0.30 -2.06 0.81 1.74 -0.67 -4.76 116.66 107.49 3cim n ARG 66 Ca -0.02 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.55 3cim n ARG 66 Cb 0.12 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.76 2.73 -0.17 1.55 1.01 -0.95 -4.92 120.40 116.89 3cim s VAL 67 Ca 0.20 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 3cim s VAL 67 Cb 0.19 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 3cim s VAL 67 CO 0.55 0.12 2.17 0.59 0.00 0.00 0.00 175.10 178.53 3cim n ASN 68 N 1.90 3.42 -0.10 3.32 3.02 -1.26 0.26 115.26 125.83 3cim n ASN 68 Ca 0.05 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 54.94 3cim n ASN 68 Cb 0.41 -1.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.03 3cim n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cim n GLY 69 N 5.53 0.51 3.73 7.41 0.00 -1.26 -4.99 105.19 116.12 3cim n GLY 69 Ca 0.28 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.56 2.25 -0.22 -0.02 0.00 0.14 -4.96 107.32 101.95 3cim s GLY 70 Ca 0.00 1.12 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 3cim s GLY 70 CO 0.00 2.20 0.07 1.85 0.00 0.00 0.00 173.10 177.21 3cim s GLU 71 N 0.38 0.50 -0.14 2.90 2.12 -1.26 -4.85 118.70 118.34 3cim s GLU 71 Ca 0.60 -0.46 -0.26 0.00 0.36 0.00 0.00 54.97 55.21 3cim s GLU 71 Cb -0.37 -1.93 -0.02 0.00 0.26 0.00 0.00 34.13 32.08 3cim s GLU 71 CO 0.35 -0.74 0.86 0.08 -0.54 0.00 0.00 175.26 175.27 3cim s VAL 72 N 1.91 4.87 -0.25 3.70 1.01 -1.26 -0.78 120.40 129.60 3cim s VAL 72 Ca 0.02 1.71 -0.05 0.00 0.00 0.00 0.00 61.98 63.67 3cim s VAL 72 Cb -0.17 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 3cim s VAL 72 CO -0.14 0.04 -0.17 0.18 0.00 0.00 0.00 175.10 175.01 3cim n LEU 73 N 5.05 2.61 -3.60 3.92 4.77 0.78 -4.93 117.00 125.60 3cim n LEU 73 Ca 0.05 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.93 3cim n LEU 73 Cb 0.49 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 3cim n LEU 73 CO 0.49 0.80 0.37 -0.55 -1.33 0.00 0.00 177.39 177.17 3cim s SER 74 N -6.86 -0.64 0.01 -1.43 0.15 -1.09 -5.02 113.70 98.82 3cim s SER 74 Ca -0.34 1.00 -0.03 0.00 0.70 0.00 0.00 55.95 57.27 3cim s SER 74 Cb 0.10 0.95 -0.01 0.00 -1.71 0.00 0.00 66.02 65.35 3cim s SER 74 CO 0.59 -0.40 0.05 0.42 1.20 0.00 0.00 173.24 175.10 3cim s THR 75 N -0.40 0.10 -0.14 6.45 -4.23 -1.26 -0.54 115.64 115.62 3cim s THR 75 Ca -0.05 -0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 3cim s THR 75 Cb -0.03 -0.38 0.10 0.00 1.34 0.00 0.00 72.50 73.54 3cim s THR 75 CO 0.05 -0.46 0.88 -2.28 -0.54 0.00 0.00 174.62 172.27 3cim s HIS 76 N -1.52 -0.50 -0.06 3.99 5.04 -0.68 -5.00 115.29 116.56 3cim s HIS 76 Ca -0.15 0.91 0.04 0.00 -1.54 0.00 0.00 55.06 54.32 3cim s HIS 76 Cb -0.08 0.42 -0.00 0.00 0.04 0.00 0.00 32.58 32.95 3cim s HIS 76 CO -0.00 -0.42 -0.20 0.42 -2.34 0.00 0.00 174.74 172.19 3cim s ILE 77 N -0.95 1.71 -0.24 0.89 1.01 -1.26 -0.74 121.20 121.63 3cim s ILE 77 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3cim s ILE 77 Cb -0.01 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 41.02 3cim s ILE 77 CO 0.04 0.48 -0.11 -0.63 0.00 0.00 0.00 174.94 174.72 3cim s ILE 78 N 0.15 2.47 0.24 2.92 1.01 -0.03 -5.00 121.20 122.96 3cim s ILE 78 Ca -0.09 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 3cim s ILE 78 Cb -0.14 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 3cim s ILE 78 CO 0.04 0.21 1.03 0.00 0.00 0.00 0.00 174.94 176.22 3cim s ALA 79 N 1.25 3.37 -1.20 9.38 0.00 -1.26 -1.32 121.76 131.97 3cim s ALA 79 Ca -0.01 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 3cim s ALA 79 Cb -0.17 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3cim s ALA 79 CO -0.07 -0.02 0.76 0.54 0.00 0.00 0.00 175.76 176.98 3cim n ARG 80 N 1.57 -3.11 -1.66 0.00 1.74 0.02 -4.85 116.66 110.38 3cim n ARG 80 Ca -0.01 0.60 -0.45 0.00 -0.77 0.00 0.00 57.85 57.22 3cim n ARG 80 Cb 0.46 -4.92 -0.03 0.00 -1.02 0.00 0.00 32.46 26.95 3cim n ARG 80 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cim n PRO 81 N -4.05 1.89 -1.75 5.56 -0.04 -1.26 -4.88 135.00 130.47 3cim n PRO 81 Ca -0.19 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 3cim n PRO 81 Cb 0.64 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 3cim n PRO 81 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3cim n HIS 82 N 1.88 2.80 0.31 0.54 -0.00 -1.26 -4.88 115.22 114.61 3cim n HIS 82 Ca 0.12 0.41 0.18 0.00 0.46 0.00 0.00 57.72 58.90 3cim n HIS 82 Cb 0.30 -2.53 1.02 0.00 -0.12 0.00 0.00 29.99 28.67 3cim n HIS 82 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3cim h GLU 83 N 3.45 0.00 0.00 1.57 4.11 -2.04 -1.04 114.58 120.63 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 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3cim h GLU 83 CO 0.68 0.01 -0.12 -0.97 0.07 0.00 0.00 179.01 178.69 3cim h ASN 84 N 0.00 0.00 -0.21 3.06 -0.00 -2.02 -2.90 115.58 113.51 3cim h ASN 84 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.24 3cim h ASN 84 Cb 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.36 3cim h ASN 84 CO 0.00 0.12 -0.04 -0.07 -0.00 0.00 0.00 177.43 177.45 3cim h LEU 85 N 0.00 0.50 -0.79 0.34 4.07 -1.55 -3.26 115.31 114.62 3cim h LEU 85 Ca -0.00 -0.11 0.06 0.00 0.08 0.00 0.00 57.88 57.91 3cim h LEU 85 Cb 0.22 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.77 3cim h LEU 85 CO 0.02 0.60 0.48 -0.33 -1.08 0.00 0.00 178.44 178.12 3cim h GLU 86 N 0.50 0.85 -0.23 1.13 5.08 -1.67 0.21 114.58 120.44 3cim h GLU 86 Ca 0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3cim h GLU 86 Cb 0.38 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3cim h GLU 86 CO 0.02 0.56 0.00 2.48 -1.00 0.00 0.00 179.01 181.07 3cim n TYR 87 N -4.68 0.29 -0.05 4.33 0.18 -1.23 -4.22 117.16 111.78 3cim n TYR 87 Ca 0.11 -0.15 -0.08 0.00 1.88 0.00 0.00 57.90 59.66 3cim n TYR 87 Cb 0.17 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.09 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 0.87 0.61 -4.62 -3.48 0.31 -0.85 -5.04 118.33 106.13 3cim n VAL 88 Ca 0.17 -0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 3cim n VAL 88 Cb 0.47 -1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.28 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 -5.78 3.17 -0.08 7.52 1.43 0.00 -5.02 118.68 119.92 3cim s LEU 89 Ca -0.15 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3cim s LEU 89 Cb 0.04 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.63 3cim s LEU 89 CO 0.24 0.36 1.91 -0.81 0.23 0.00 0.00 176.35 178.28 3cim n PRO 90 N 2.21 1.20 0.23 1.29 -0.04 -1.26 -4.37 135.00 134.26 3cim n PRO 90 Ca -0.18 -0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.01 3cim n PRO 90 Cb 0.53 -1.16 0.39 0.00 -0.04 0.00 0.00 33.50 33.22 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 0.90 0.19 0.00 0.52 3.07 -1.88 -3.32 117.51 117.00 3cim h ILE 91 Ca 0.07 -0.98 -0.05 0.00 1.55 0.00 0.00 64.86 65.46 3cim h ILE 91 Cb 1.00 1.83 -0.10 0.00 -0.27 0.00 0.00 36.82 39.29 3cim h ILE 91 CO 0.19 0.09 -0.51 0.18 -1.05 0.00 0.00 178.15 177.05 3cim n LEU 92 N -3.16 1.54 -0.35 0.16 4.77 -1.26 -4.10 117.00 114.60 3cim n LEU 92 Ca 0.02 -2.53 0.15 0.00 -0.03 0.00 0.00 56.01 53.61 3cim n LEU 92 Cb 0.45 -0.24 0.34 0.00 -2.33 0.00 0.00 43.42 41.64 3cim n LEU 92 CO 0.32 0.73 1.18 -0.08 -1.33 0.00 0.00 177.39 178.21 3cim h GLU 93 N 0.52 0.66 -0.36 3.23 4.81 -1.53 -1.30 114.58 120.61 3cim h GLU 93 Ca -0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3cim h GLU 93 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3cim h GLU 93 CO 0.03 0.44 0.00 0.72 -0.73 0.00 0.00 179.01 179.46 3cim n HIS 94 N -4.82 1.18 -3.15 0.92 8.25 0.07 -4.91 115.22 112.75 3cim n HIS 94 Ca 0.25 -0.80 -0.40 0.00 -0.26 0.00 0.00 57.72 56.51 3cim n HIS 94 Cb 0.64 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.59 3.31 0.00 4.41 5.65 -0.49 -4.83 115.29 120.74 3cim s HIS 95 Ca 0.44 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.55 3cim s HIS 95 Cb 0.34 -2.79 0.00 0.00 -1.18 0.00 0.00 32.58 28.95 3cim s HIS 95 CO 0.12 -0.26 0.25 0.72 -0.65 0.00 0.00 174.74 174.92