#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei s SER 2 N 0.00 6.12 -0.13 1.61 0.01 -1.26 -4.95 113.70 115.11 2eei s SER 2 Ca 0.00 1.93 -0.29 0.00 1.31 0.00 0.00 55.95 58.90 2eei s SER 2 Cb 0.00 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.78 2eei s SER 2 CO 0.00 -1.42 0.71 -0.94 0.41 0.00 0.00 173.24 172.00 2eei s SER 3 N 5.46 -0.68 -1.13 2.44 1.04 -1.26 -5.07 113.70 114.50 2eei s SER 3 Ca 0.84 0.94 -0.21 0.00 0.48 0.00 0.00 55.95 58.00 2eei s SER 3 Cb -0.31 0.83 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 2eei s SER 3 CO 0.34 -0.48 1.92 0.61 0.98 0.00 0.00 173.24 176.61 2eei n GLY 4 N 1.49 2.09 3.32 7.32 0.00 -1.26 -4.89 105.19 113.26 2eei n GLY 4 Ca -0.17 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2eei n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei s SER 5 N 5.29 5.73 0.06 1.61 0.01 -1.26 -5.08 113.70 120.06 2eei s SER 5 Ca 0.60 -1.29 0.03 0.00 1.31 0.00 0.00 55.95 56.60 2eei s SER 5 Cb 0.06 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 2eei s SER 5 CO 0.10 -0.49 0.04 -0.94 0.41 0.00 0.00 173.24 172.36 2eei s SER 6 N 1.96 5.34 0.00 2.44 1.04 -1.26 -4.78 113.70 118.44 2eei s SER 6 Ca 0.03 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2eei s SER 6 Cb -0.22 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2eei s SER 6 CO 0.04 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2eei n GLY 7 N 0.75 2.81 3.83 7.32 0.00 -1.26 -5.13 105.19 113.51 2eei n GLY 7 Ca -0.11 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2eei n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2eei s GLN 8 N 0.00 3.83 0.97 1.61 -2.07 -1.26 -5.05 119.66 117.69 2eei s GLN 8 Ca 0.00 1.02 -0.12 0.00 -1.82 0.00 0.00 55.36 54.44 2eei s GLN 8 Cb 0.00 -2.12 0.17 0.00 -1.09 0.00 0.00 33.01 29.98 2eei s GLN 8 CO 0.00 -0.38 1.09 -1.25 -1.32 0.00 0.00 175.29 173.44 2eei s PRO 9 N -4.01 0.65 -0.19 9.60 0.04 -1.26 -5.02 135.00 134.79 2eei s PRO 9 Ca 0.60 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 2eei s PRO 9 Cb -0.11 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2eei s PRO 9 CO 0.31 -2.61 0.11 0.50 0.04 0.00 0.00 177.00 175.36 2eei s ARG 10 N -4.95 4.12 -0.62 4.56 6.06 -1.12 -5.02 118.95 121.98 2eei s ARG 10 Ca 0.65 -0.26 -0.25 0.00 -2.50 0.00 0.00 55.73 53.37 2eei s ARG 10 Cb -0.18 -3.35 0.05 0.00 0.06 0.00 0.00 34.95 31.52 2eei s ARG 10 CO 0.57 0.29 1.04 -1.17 -2.50 0.00 0.00 175.30 173.54 2eei s LEU 11 N 0.37 3.91 -0.66 -0.88 1.98 -1.26 -3.55 118.68 118.59 2eei s LEU 11 Ca 0.06 -0.47 -0.22 0.00 -2.89 0.00 0.00 54.13 50.61 2eei s LEU 11 Cb -0.11 -2.72 0.08 0.00 0.66 0.00 0.00 46.19 44.09 2eei s LEU 11 CO -0.01 -1.43 0.92 0.00 -1.89 0.00 0.00 176.35 173.94 2eei s TYR 13 N 3.76 2.42 0.14 0.00 5.04 -1.26 -0.87 117.35 126.57 2eei s TYR 13 Ca 0.21 -0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 54.38 2eei s TYR 13 Cb -0.18 -4.53 -0.07 0.00 0.35 0.00 0.00 41.96 37.53 2eei s TYR 13 CO 0.09 -1.94 0.65 -0.51 -1.34 0.00 0.00 175.55 172.50 2eei s LEU 14 N 5.16 4.47 -0.02 6.97 2.01 0.01 -4.86 118.68 132.42 2eei s LEU 14 Ca 0.32 1.36 -0.00 0.00 0.01 0.00 0.00 54.13 55.81 2eei s LEU 14 Cb -0.10 -3.21 0.02 0.00 0.01 0.00 0.00 46.19 42.90 2eei s LEU 14 CO 0.12 0.17 0.03 -0.69 1.01 0.00 0.00 176.35 176.99 2eei s VAL 15 N -1.28 -0.03 0.03 -1.59 1.01 -1.26 -0.03 120.40 117.25 2eei s VAL 15 Ca 0.35 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2eei s VAL 15 Cb -0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 2eei s VAL 15 CO 0.21 0.04 1.97 -0.54 0.00 0.00 0.00 175.10 176.78 2eei s LYS 16 N 0.50 4.12 0.00 2.72 1.02 -1.06 -4.80 119.74 122.24 2eei s LYS 16 Ca -0.04 2.60 0.00 0.00 0.02 0.00 0.00 55.97 58.55 2eei s LYS 16 Cb -0.06 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.08 2eei s LYS 16 CO -0.02 -0.98 0.00 0.39 -0.92 0.00 0.00 175.35 173.83 2eei n GLU 17 N 7.57 0.00 -4.61 1.68 1.02 -1.26 -4.98 120.64 120.06 2eei n GLU 17 Ca 0.20 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.06 2eei n GLU 17 Cb 0.41 -0.58 -0.09 0.00 -0.02 0.00 0.00 31.44 31.16 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2eei s GLY 18 N -4.32 2.69 0.25 0.62 0.00 -1.26 -5.02 107.32 100.28 2eei s GLY 18 Ca 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 2eei s GLY 18 CO 0.00 -2.00 1.31 0.61 0.00 0.00 0.00 173.10 173.02 2eei n GLY 19 N -1.02 -1.25 3.11 0.20 0.00 -1.26 -4.27 105.19 100.69 2eei n GLY 19 Ca -0.10 0.85 -0.23 0.00 0.00 0.00 0.00 46.02 46.53 2eei n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eei s SER 20 N -5.10 1.79 0.00 1.61 0.15 -1.26 -5.07 113.70 105.81 2eei s SER 20 Ca -0.12 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2eei s SER 20 Cb 0.24 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2eei s SER 20 CO 0.65 0.16 0.80 -1.22 1.20 0.00 0.00 173.24 174.83 2eei n TYR 21 N 2.91 0.00 0.00 3.44 4.01 -1.26 -4.84 117.16 121.42 2eei n TYR 21 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2eei n TYR 21 Cb 0.54 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eei n GLY 22 N -0.96 0.00 3.44 2.72 0.00 -1.26 -2.66 105.19 106.47 2eei n GLY 22 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2eei n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eei s PHE 23 N 0.00 -0.53 0.22 1.61 -0.12 -1.26 -1.64 117.98 116.26 2eei s PHE 23 Ca 0.00 0.73 0.09 0.00 -0.05 0.00 0.00 56.93 57.70 2eei s PHE 23 Cb 0.00 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 2eei s PHE 23 CO 0.00 -0.64 -0.17 -1.12 -0.05 0.00 0.00 175.22 173.24 2eei s SER 24 N -1.69 2.90 -0.08 1.98 0.01 -0.81 -4.98 113.70 111.03 2eei s SER 24 Ca -0.08 -1.00 0.02 0.00 1.31 0.00 0.00 55.95 56.20 2eei s SER 24 Cb -0.01 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.05 2eei s SER 24 CO 0.02 -0.09 -0.12 -0.76 0.41 0.00 0.00 173.24 172.71 2eei s LEU 25 N -3.27 1.57 0.13 2.44 1.43 -1.26 0.02 118.68 119.73 2eei s LEU 25 Ca 0.24 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 2eei s LEU 25 Cb -0.03 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 2eei s LEU 25 CO 0.09 -0.00 -0.17 -1.59 0.23 0.00 0.00 176.35 174.91 2eei s LYS 26 N 0.95 1.13 0.01 1.70 -2.85 -1.24 -4.99 119.74 114.45 2eei s LYS 26 Ca -0.09 -1.28 -0.02 0.00 -1.00 0.00 0.00 55.97 53.59 2eei s LYS 26 Cb -0.15 -1.15 -0.04 0.00 -2.06 0.00 0.00 37.83 34.43 2eei s LYS 26 CO 0.00 0.24 0.19 0.95 0.10 0.00 0.00 175.35 176.82 2eei s THR 27 N -1.89 5.38 -0.04 3.79 -4.23 -1.26 -3.94 115.64 113.46 2eei s THR 27 Ca 0.10 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.41 2eei s THR 27 Cb -0.06 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 2eei s THR 27 CO 0.05 0.27 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.55 2eei s VAL 28 N -1.38 1.32 0.40 2.29 1.01 -1.26 -5.12 120.40 117.66 2eei s VAL 28 Ca 0.29 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 2eei s VAL 28 Cb -0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 35.01 2eei s VAL 28 CO 0.21 0.38 1.20 0.00 0.00 0.00 0.00 175.10 176.89 2eei n GLN 29 N 3.15 1.79 0.00 2.72 10.64 -1.26 -2.26 117.38 132.16 2eei n GLN 29 Ca -0.18 0.63 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 2eei n GLN 29 Cb 0.53 -2.26 0.00 0.00 -0.86 0.00 0.00 30.24 27.65 2eei n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2eei n GLY 30 N 0.92 1.47 2.37 2.61 0.00 -1.26 -4.95 105.19 106.34 2eei n GLY 30 Ca 0.07 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 2eei n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eei n LYS 31 N 0.00 -3.74 -4.39 1.61 5.02 -0.96 -5.05 118.16 110.66 2eei n LYS 31 Ca 0.00 -1.02 -0.23 0.00 -2.02 0.00 0.00 58.31 55.04 2eei n LYS 31 Cb 0.00 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 2eei n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2eei s LYS 32 N -4.33 1.43 0.00 1.97 1.02 -1.26 -4.93 119.74 113.63 2eei s LYS 32 Ca 0.47 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.93 2eei s LYS 32 Cb -0.08 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 2eei s LYS 32 CO 0.39 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 2eei n GLY 33 N 0.05 1.96 3.19 -3.33 0.00 -1.24 -4.80 105.19 101.02 2eei n GLY 33 Ca -0.11 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2eei n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2eei n VAL 34 N 0.00 0.00 -3.52 1.61 0.24 -1.26 -4.67 118.33 110.73 2eei n VAL 34 Ca 0.00 -2.40 -0.11 0.00 -2.04 0.00 0.00 64.34 59.79 2eei n VAL 34 Cb 0.00 1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 2eei n VAL 34 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 2eei s TYR 35 N -3.30 -0.38 0.13 6.34 -0.85 -1.25 -3.04 117.35 115.00 2eei s TYR 35 Ca 0.36 0.12 -0.31 0.00 -0.52 0.00 0.00 57.07 56.72 2eei s TYR 35 Cb 0.02 0.42 -0.09 0.00 0.38 0.00 0.00 41.96 42.68 2eei s TYR 35 CO 0.26 -0.78 1.61 -1.64 -1.52 0.00 0.00 175.55 173.48 2eei s MET 36 N -3.78 4.20 0.09 -3.49 -1.94 -0.88 -3.69 119.30 109.82 2eei s MET 36 Ca 0.02 2.37 -0.04 0.00 -1.71 0.00 0.00 55.69 56.33 2eei s MET 36 Cb 0.00 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.49 2eei s MET 36 CO -0.12 -0.66 0.08 -0.08 -0.01 0.00 0.00 175.02 174.22 2eei s THR 37 N 1.74 0.15 -1.53 2.05 -1.32 0.10 0.49 115.64 117.33 2eei s THR 37 Ca 0.72 -1.64 -0.10 0.00 -1.21 0.00 0.00 61.69 59.46 2eei s THR 37 Cb -0.43 -1.65 0.07 0.00 -1.51 0.00 0.00 72.50 68.99 2eei s THR 37 CO 0.32 -0.70 0.71 -0.67 -2.21 0.00 0.00 174.62 172.07 2eei n ASP 38 N -0.02 -2.53 -4.65 8.08 2.03 -1.26 -1.92 116.55 116.28 2eei n ASP 38 Ca -0.11 -0.93 -0.52 0.00 0.52 0.00 0.00 54.79 53.74 2eei n ASP 38 Cb 0.62 -3.27 -0.06 0.00 -0.72 0.00 0.00 41.12 37.69 2eei n ASP 38 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2eei n ILE 39 N -4.46 0.40 -2.01 5.18 2.08 -1.26 -4.28 119.36 115.02 2eei n ILE 39 Ca -0.09 -0.12 -0.42 0.00 0.56 0.00 0.00 62.75 62.68 2eei n ILE 39 Cb 0.58 -1.59 -0.03 0.00 -0.75 0.00 0.00 39.64 37.86 2eei n ILE 39 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2eei s THR 40 N 4.55 3.50 0.03 1.39 2.01 -0.65 -4.95 115.64 121.52 2eei s THR 40 Ca 0.98 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 2eei s THR 40 Cb -0.87 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 2eei s THR 40 CO 0.57 -0.05 1.42 -2.16 -0.69 0.00 0.00 174.62 173.71 2eei s PRO 41 N 3.69 4.29 -0.52 4.92 0.04 -1.26 -3.39 135.00 142.77 2eei s PRO 41 Ca 0.73 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.79 2eei s PRO 41 Cb -0.34 -3.50 -0.00 0.00 0.04 0.00 0.00 34.50 30.70 2eei s PRO 41 CO 0.30 -0.55 0.44 0.94 0.04 0.00 0.00 177.00 178.16 2eei n GLN 42 N 5.03 -2.78 -2.86 4.56 7.27 -1.26 -5.05 117.38 122.29 2eei n GLN 42 Ca 0.13 0.37 -0.08 0.00 0.07 0.00 0.00 57.00 57.49 2eei n GLN 42 Cb 0.43 -3.94 -0.03 0.00 2.41 0.00 0.00 30.24 29.11 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2eei n GLY 43 N -1.08 3.67 0.37 1.69 0.00 -1.22 -4.99 105.19 103.63 2eei n GLY 43 Ca -0.12 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.19 2eei n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2eei h VAL 44 N 1.35 0.86 0.00 1.61 2.07 -1.81 -0.28 116.25 120.06 2eei h VAL 44 Ca -0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2eei h VAL 44 Cb 0.45 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2eei h VAL 44 CO 0.15 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.85 2eei n ALA 45 N -2.46 -0.17 -0.20 1.67 0.00 -1.26 -1.15 120.51 116.94 2eei n ALA 45 Ca 0.15 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.89 2eei n ALA 45 Cb 0.44 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.50 2eei n ALA 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2eei h MET 46 N 0.00 0.00 0.18 0.00 -1.53 -1.68 0.96 114.93 112.86 2eei h MET 46 Ca 0.00 0.00 -0.33 0.00 -3.44 0.00 0.00 59.70 55.93 2eei h MET 46 Cb 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.06 2eei h MET 46 CO 0.00 0.00 -1.60 0.00 0.14 0.00 0.00 176.91 175.45 2eei h ARG 47 N 0.00 0.39 0.00 0.39 2.47 -1.09 -3.30 114.38 113.24 2eei h ARG 47 Ca 0.47 -0.66 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 2eei h ARG 47 Cb 2.42 0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 30.98 2eei h ARG 47 CO -0.00 1.29 -0.12 0.00 0.56 0.00 0.00 179.97 181.70 2eei h ALA 48 N 0.25 1.28 0.00 0.04 0.00 0.25 -3.46 119.26 117.62 2eei h ALA 48 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2eei h ALA 48 Cb 2.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2eei h ALA 48 CO 0.20 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2eei n GLY 49 N -0.66 1.89 3.64 0.00 0.00 -0.59 -4.58 105.19 104.88 2eei n GLY 49 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2eei n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s VAL 50 N -2.00 5.14 0.08 1.61 0.11 -1.18 -4.88 120.40 119.28 2eei s VAL 50 Ca 0.00 0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.05 2eei s VAL 50 Cb 0.00 -3.38 -0.06 0.00 -1.53 0.00 0.00 36.38 31.41 2eei s VAL 50 CO 0.00 0.37 0.41 -0.76 -3.33 0.00 0.00 175.10 171.79 2eei s LEU 51 N 0.94 4.35 0.96 2.54 1.43 -1.26 -4.43 118.68 123.22 2eei s LEU 51 Ca 0.06 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 2eei s LEU 51 Cb -0.13 -2.98 0.17 0.00 0.03 0.00 0.00 46.19 43.28 2eei s LEU 51 CO 0.03 0.18 1.09 0.00 0.23 0.00 0.00 176.35 177.88 2eei s ALA 52 N -1.39 1.05 -1.47 4.21 0.00 -1.26 -3.38 121.76 119.52 2eei s ALA 52 Ca 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 2eei s ALA 52 Cb -0.14 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2eei s ALA 52 CO 0.18 -2.83 0.36 -3.47 0.00 0.00 0.00 175.76 170.00 2eei n ASP 53 N -4.24 -5.23 -4.47 0.00 2.03 0.18 -4.61 116.55 100.22 2eei n ASP 53 Ca 0.08 -0.18 -0.43 0.00 0.52 0.00 0.00 54.79 54.78 2eei n ASP 53 Cb 0.54 -4.29 -0.09 0.00 -0.72 0.00 0.00 41.12 36.55 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2eei s ASP 54 N -2.47 6.16 -0.29 1.67 1.11 -1.11 -4.64 116.67 117.10 2eei s ASP 54 Ca 0.21 -0.82 -0.33 0.00 0.18 0.00 0.00 52.55 51.80 2eei s ASP 54 Cb -0.10 -2.19 -0.09 0.00 1.07 0.00 0.00 42.92 41.60 2eei s ASP 54 CO 0.26 -0.53 2.19 1.57 1.18 0.00 0.00 175.17 179.84 2eei n HIS 55 N 5.40 1.76 -1.71 4.23 -0.00 -1.26 -2.06 115.22 121.56 2eei n HIS 55 Ca -0.09 0.12 -0.43 0.00 -0.00 0.00 0.00 57.72 57.32 2eei n HIS 55 Cb 0.47 -2.61 -0.03 0.00 -0.00 0.00 0.00 29.99 27.82 2eei n HIS 55 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2eei n LEU 56 N 10.47 3.86 -0.13 0.27 7.94 -1.17 -4.09 117.00 134.15 2eei n LEU 56 Ca 0.37 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 56.11 2eei n LEU 56 Cb 0.31 -1.54 -0.09 0.00 0.53 0.00 0.00 43.42 42.64 2eei n LEU 56 CO 0.72 -0.01 -1.36 -0.38 -1.11 0.00 0.00 177.39 175.25 2eei n ILE 57 N 2.81 1.38 -3.83 1.96 2.08 -0.31 -4.26 119.36 119.19 2eei n ILE 57 Ca 0.12 -0.35 -0.08 0.00 0.56 0.00 0.00 62.75 63.00 2eei n ILE 57 Cb 0.34 -1.85 0.01 0.00 -0.75 0.00 0.00 39.64 37.40 2eei n ILE 57 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2eei s GLU 58 N -2.46 2.11 -0.07 0.38 4.04 -1.22 -1.59 118.70 119.88 2eei s GLU 58 Ca -0.35 -1.32 -0.03 0.00 0.04 0.00 0.00 54.97 53.31 2eei s GLU 58 Cb 0.13 0.62 0.04 0.00 0.02 0.00 0.00 34.13 34.95 2eei s GLU 58 CO 0.44 -0.98 0.14 0.08 -1.84 0.00 0.00 175.26 173.10 2eei s VAL 59 N -2.77 -0.15 -1.22 1.83 1.01 -0.36 -3.06 120.40 115.67 2eei s VAL 59 Ca 0.14 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 2eei s VAL 59 Cb -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.10 2eei s VAL 59 CO 0.10 0.12 0.24 0.59 0.00 0.00 0.00 175.10 176.15 2eei n ASN 60 N 4.80 -4.20 -0.23 3.32 3.02 0.74 -0.96 115.26 121.75 2eei n ASN 60 Ca -0.15 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2eei n ASN 60 Cb 0.51 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eei n GLY 61 N -1.03 0.75 2.80 7.41 0.00 -1.26 -4.99 105.19 108.88 2eei n GLY 61 Ca -0.10 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 2eei n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eei s GLU 62 N -4.12 0.98 -0.25 1.61 2.02 -0.13 -5.09 118.70 113.72 2eei s GLU 62 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 2eei s GLU 62 Cb 0.00 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.90 2eei s GLU 62 CO 0.00 -0.65 2.24 -1.71 0.02 0.00 0.00 175.26 175.16 2eei n ASN 63 N 4.91 3.05 -0.15 -0.19 4.05 -1.26 -1.23 115.26 124.44 2eei n ASN 63 Ca -0.09 0.18 0.06 0.00 0.45 0.00 0.00 54.58 55.17 2eei n ASN 63 Cb 0.46 -1.52 0.08 0.00 1.23 0.00 0.00 39.78 40.02 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2eei n VAL 64 N 7.72 1.20 -0.32 3.44 0.24 -0.83 -4.83 118.33 124.94 2eei n VAL 64 Ca 0.32 -1.41 0.24 0.00 -2.04 0.00 0.00 64.34 61.46 2eei n VAL 64 Cb 0.42 0.12 0.46 0.00 -1.47 0.00 0.00 33.84 33.37 2eei n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2eei n GLU 65 N -0.87 -0.07 -2.43 7.34 1.02 -0.62 -0.15 120.64 124.86 2eei n GLU 65 Ca 0.09 1.40 -0.25 0.00 -0.02 0.00 0.00 57.16 58.38 2eei n GLU 65 Cb 0.59 -2.39 0.01 0.00 -0.02 0.00 0.00 31.44 29.62 2eei n GLU 65 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2eei n ASP 66 N -5.32 4.47 -4.85 1.62 8.00 -1.26 -3.73 116.55 115.47 2eei n ASP 66 Ca 0.31 -3.63 -0.34 0.00 0.71 0.00 0.00 54.79 51.84 2eei n ASP 66 Cb 1.05 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2eei s ALA 67 N -3.52 3.80 0.62 2.24 0.00 0.79 -4.58 121.76 121.10 2eei s ALA 67 Ca 0.47 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 2eei s ALA 67 Cb 0.40 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2eei s ALA 67 CO -0.14 0.70 1.27 -1.12 0.00 0.00 0.00 175.76 176.47 2eei s SER 68 N -1.63 4.88 0.60 0.00 0.01 -1.26 -4.06 113.70 112.25 2eei s SER 68 Ca 0.23 2.56 0.30 0.00 1.31 0.00 0.00 55.95 60.35 2eei s SER 68 Cb -0.12 -2.61 1.72 0.00 0.21 0.00 0.00 66.02 65.21 2eei s SER 68 CO 0.13 -1.81 2.10 -0.74 0.41 0.00 0.00 173.24 173.33 2eei h HIS 69 N 0.77 0.00 0.00 2.43 2.76 -1.98 0.26 115.15 119.38 2eei h HIS 69 Ca -0.51 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.60 2eei h HIS 69 Cb 1.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 2eei h HIS 69 CO 0.44 0.00 -0.67 0.93 -1.30 0.00 0.00 177.93 177.32 2eei h GLU 70 N 0.00 0.00 0.07 5.26 4.39 -2.00 -2.84 114.58 119.46 2eei h GLU 70 Ca 0.07 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.50 2eei h GLU 70 Cb 0.49 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2eei h GLU 70 CO -0.00 0.19 -1.14 0.93 -1.16 0.00 0.00 179.01 177.82 2eei h GLU 71 N 0.00 0.56 0.12 2.33 5.08 -0.85 -3.25 114.58 118.57 2eei h GLU 71 Ca -0.03 -0.70 -0.01 0.00 -1.00 0.00 0.00 59.36 57.62 2eei h GLU 71 Cb 1.22 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2eei h GLU 71 CO 0.03 1.30 -0.06 0.28 -1.00 0.00 0.00 179.01 179.55 2eei h VAL 72 N 0.27 0.45 -0.91 3.13 2.07 -1.52 -2.69 116.25 117.04 2eei h VAL 72 Ca -0.15 -1.14 0.21 0.00 0.82 0.00 0.00 66.70 66.44 2eei h VAL 72 Cb 1.81 0.81 -0.17 0.00 -1.52 0.00 0.00 31.29 32.21 2eei h VAL 72 CO 0.21 0.14 -0.11 0.55 0.02 0.00 0.00 177.57 178.38 2eei n VAL 73 N -4.86 -0.38 -0.08 2.57 3.14 -1.07 0.70 118.33 118.35 2eei n VAL 73 Ca -0.05 2.04 -0.13 0.00 -2.96 0.00 0.00 64.34 63.25 2eei n VAL 73 Cb 0.17 -2.90 -0.05 0.00 -1.06 0.00 0.00 33.84 30.00 2eei n VAL 73 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2eei h GLU 74 N 0.00 0.52 -0.89 1.45 4.11 -1.67 -2.91 114.58 115.18 2eei h GLU 74 Ca 0.49 -0.27 0.10 0.00 0.07 0.00 0.00 59.36 59.75 2eei h GLU 74 Cb 0.88 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 2eei h GLU 74 CO -0.90 0.85 0.58 0.87 0.07 0.00 0.00 179.01 180.48 2eei h LYS 75 N 0.21 0.84 -0.28 1.06 1.57 0.63 0.08 116.57 120.70 2eei h LYS 75 Ca 0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2eei h LYS 75 Cb 0.74 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2eei h LYS 75 CO 0.05 0.56 0.05 0.28 -0.57 0.00 0.00 179.45 179.82 2eei h VAL 76 N 0.87 1.23 0.26 0.50 2.07 -0.48 -2.47 116.25 118.22 2eei h VAL 76 Ca 0.42 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2eei h VAL 76 Cb 0.44 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2eei h VAL 76 CO -0.18 0.25 -0.13 0.11 0.02 0.00 0.00 177.57 177.64 2eei h LYS 77 N 0.28 -0.34 -0.97 1.57 1.57 -1.15 -2.97 116.57 114.56 2eei h LYS 77 Ca 0.09 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.12 2eei h LYS 77 Cb 0.32 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.59 2eei h LYS 77 CO 0.00 -0.09 0.54 0.87 -0.57 0.00 0.00 179.45 180.21 2eei h LYS 78 N -0.55 0.53 -0.69 3.15 1.57 -1.03 -1.53 116.57 118.03 2eei h LYS 78 Ca -0.04 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 2eei h LYS 78 Cb 0.40 -0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.46 2eei h LYS 78 CO 0.06 0.35 -0.06 0.45 -0.57 0.00 0.00 179.45 179.68 2eei n SER 79 N -4.92 -0.15 0.00 0.86 2.88 -0.93 -4.87 113.62 106.49 2eei n SER 79 Ca 0.25 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 2eei n SER 79 Cb 0.70 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 80 N -1.39 1.15 0.13 0.46 0.00 -0.58 -4.81 105.19 100.16 2eei n GLY 80 Ca 0.14 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 2eei n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 81 N 0.00 1.95 -4.67 1.61 7.64 -1.26 -4.97 113.62 113.92 2eei n SER 81 Ca 0.00 0.35 -0.24 0.00 1.01 0.00 0.00 58.87 59.99 2eei n SER 81 Cb 0.00 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.30 2eei n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eei s ARG 82 N -2.53 2.21 0.17 1.43 3.03 -1.26 -2.57 118.95 119.42 2eei s ARG 82 Ca -0.37 -1.66 -0.02 0.00 2.03 0.00 0.00 55.73 55.71 2eei s ARG 82 Cb 0.13 -2.04 -0.04 0.00 -1.03 0.00 0.00 34.95 31.98 2eei s ARG 82 CO 0.49 0.13 0.12 0.14 -1.13 0.00 0.00 175.30 175.05 2eei s VAL 83 N -2.47 0.05 -0.20 4.99 -7.23 0.95 -4.85 120.40 111.63 2eei s VAL 83 Ca 0.36 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2eei s VAL 83 Cb -0.01 -2.26 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2eei s VAL 83 CO 0.21 -0.22 -0.07 -0.32 -0.31 0.00 0.00 175.10 174.39 2eei s MET 84 N -4.10 1.68 -0.15 4.82 1.75 -1.26 -0.81 119.30 121.24 2eei s MET 84 Ca 0.31 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 53.92 2eei s MET 84 Cb 0.07 -2.35 -0.03 0.00 2.84 0.00 0.00 34.83 35.35 2eei s MET 84 CO 0.07 -0.49 -0.00 -0.06 -0.65 0.00 0.00 175.02 173.88 2eei s PHE 85 N 1.48 3.12 -0.24 4.11 0.08 -0.05 -0.19 117.98 126.28 2eei s PHE 85 Ca -0.02 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 56.97 2eei s PHE 85 Cb -0.17 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.39 2eei s PHE 85 CO -0.07 0.14 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.91 2eei s LEU 86 N 0.06 3.05 0.34 -0.37 2.96 -1.17 -0.22 118.68 123.33 2eei s LEU 86 Ca 0.02 -1.24 0.04 0.00 -0.22 0.00 0.00 54.13 52.73 2eei s LEU 86 Cb -0.13 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2eei s LEU 86 CO 0.02 -0.18 0.17 -0.76 -1.32 0.00 0.00 176.35 174.29 2eei s LEU 87 N 1.20 1.79 0.14 -0.68 1.02 -1.23 -1.17 118.68 119.75 2eei s LEU 87 Ca -0.06 -1.63 0.06 0.00 0.02 0.00 0.00 54.13 52.51 2eei s LEU 87 Cb -0.19 0.18 -0.04 0.00 0.02 0.00 0.00 46.19 46.16 2eei s LEU 87 CO -0.06 -0.94 -0.00 -0.69 0.02 0.00 0.00 176.35 174.68 2eei s VAL 88 N -3.45 3.84 0.12 -1.59 1.01 -1.26 -2.80 120.40 116.26 2eei s VAL 88 Ca 0.33 -1.23 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 2eei s VAL 88 Cb 0.04 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 2eei s VAL 88 CO 0.19 -0.01 1.61 -1.81 0.00 0.00 0.00 175.10 175.08 2eei s ASP 89 N -2.65 6.59 0.62 3.32 1.11 -1.26 -4.50 116.67 119.91 2eei s ASP 89 Ca 0.26 2.56 0.24 0.00 0.18 0.00 0.00 52.55 55.79 2eei s ASP 89 Cb -0.10 -2.58 1.15 0.00 1.07 0.00 0.00 42.92 42.45 2eei s ASP 89 CO 0.18 -0.85 1.61 0.07 1.18 0.00 0.00 175.17 177.36 2eei h LYS 90 N 7.54 0.00 -0.47 8.23 2.10 -1.82 0.18 116.57 132.33 2eei h LYS 90 Ca -0.43 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.27 2eei h LYS 90 Cb 1.20 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.49 2eei h LYS 90 CO 0.92 0.00 0.22 0.93 -2.00 0.00 0.00 179.45 179.52 2eei h GLU 91 N 0.00 0.42 0.05 0.07 4.39 -1.90 -2.99 114.58 114.61 2eei h GLU 91 Ca 0.20 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.55 2eei h GLU 91 Cb 1.63 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 30.15 2eei h GLU 91 CO -0.00 0.28 -1.81 2.41 -1.16 0.00 0.00 179.01 178.72 2eei n THR 92 N -4.92 1.62 -0.29 1.13 -1.04 0.50 -4.46 114.28 106.83 2eei n THR 92 Ca 0.04 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 61.61 2eei n THR 92 Cb 0.13 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 66.73 2eei n THR 92 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2eei n ASP 93 N -3.94 -0.74 -4.44 8.00 -0.08 -0.48 -2.92 116.55 111.94 2eei n ASP 93 Ca -0.36 1.28 -0.44 0.00 -1.51 0.00 0.00 54.79 53.76 2eei n ASP 93 Cb 0.87 -0.18 -0.03 0.00 2.34 0.00 0.00 41.12 44.12 2eei n ASP 93 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2eei s LYS 94 N -5.23 3.40 -0.87 -0.67 1.02 -1.13 -4.97 119.74 111.29 2eei s LYS 94 Ca -0.08 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.30 2eei s LYS 94 Cb 0.08 -4.63 0.23 0.00 -0.52 0.00 0.00 37.83 32.99 2eei s LYS 94 CO 0.43 -1.73 0.80 -0.98 -0.92 0.00 0.00 175.35 172.95 2eei s ARG 95 N 2.94 3.61 -0.45 1.68 1.70 -1.15 -4.90 118.95 122.37 2eei s ARG 95 Ca 0.26 -2.65 -0.21 0.00 -0.47 0.00 0.00 55.73 52.66 2eei s ARG 95 Cb -0.11 -4.36 0.03 0.00 -0.57 0.00 0.00 34.95 29.93 2eei s ARG 95 CO -0.02 -1.27 0.68 -3.38 -1.08 0.00 0.00 175.30 170.23 2eei s HIS 96 N -0.20 3.04 0.70 5.89 -3.43 -1.26 -5.05 115.29 114.97 2eei s HIS 96 Ca 0.21 -0.02 -0.03 0.00 -0.80 0.00 0.00 55.06 54.41 2eei s HIS 96 Cb -0.11 -3.45 0.10 0.00 -1.43 0.00 0.00 32.58 27.68 2eei s HIS 96 CO -0.08 -0.92 0.97 0.14 -2.00 0.00 0.00 174.74 172.85 2eei s VAL 97 N 2.96 2.28 -1.03 -5.38 -7.23 -1.26 -4.53 120.40 106.21 2eei s VAL 97 Ca 0.24 -0.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.89 2eei s VAL 97 Cb -0.14 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2eei s VAL 97 CO 0.20 0.00 0.87 -0.62 -0.31 0.00 0.00 175.10 175.24 2eei n GLU 98 N -2.81 -5.84 -3.51 4.82 4.71 -1.26 -5.01 120.64 111.73 2eei n GLU 98 Ca 0.12 0.69 -0.26 0.00 -0.01 0.00 0.00 57.16 57.70 2eei n GLU 98 Cb 0.60 -5.25 -0.02 0.00 -1.01 0.00 0.00 31.44 25.76 2eei n GLU 98 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 2eei s GLN 99 N -5.49 3.52 -0.42 3.49 1.03 -1.26 -5.01 119.66 115.53 2eei s GLN 99 Ca 0.19 -0.30 -0.27 0.00 0.04 0.00 0.00 55.36 55.02 2eei s GLN 99 Cb -0.08 -2.73 -0.04 0.00 0.03 0.00 0.00 33.01 30.19 2eei s GLN 99 CO 0.59 0.26 2.02 0.21 -2.54 0.00 0.00 175.29 175.84 2eei s LYS 100 N -3.83 2.84 0.06 9.60 2.20 -1.26 -4.95 119.74 124.40 2eei s LYS 100 Ca 0.40 1.32 -0.24 0.00 -0.36 0.00 0.00 55.97 57.09 2eei s LYS 100 Cb -0.10 -4.36 -0.06 0.00 -1.51 0.00 0.00 37.83 31.80 2eei s LYS 100 CO 0.32 -2.44 0.73 -1.54 -0.36 0.00 0.00 175.35 172.06 2eei s SER 101 N 8.33 7.19 -0.45 1.43 1.04 -1.26 -5.00 113.70 124.98 2eei s SER 101 Ca 0.84 1.42 0.04 0.00 0.48 0.00 0.00 55.95 58.73 2eei s SER 101 Cb -0.21 -2.45 0.23 0.00 0.10 0.00 0.00 66.02 63.70 2eei s SER 101 CO 0.29 0.07 0.94 0.61 0.98 0.00 0.00 173.24 176.13 2eei n GLY 102 N 2.26 -0.59 0.26 7.32 0.00 -1.26 -5.01 105.19 108.16 2eei n GLY 102 Ca -0.04 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 2eei n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei h PRO 103 N 4.07 0.88 -3.10 1.61 0.13 -2.05 -3.42 132.00 130.13 2eei h PRO 103 Ca -0.11 -0.46 -0.47 0.00 -0.87 0.00 0.00 66.00 64.09 2eei h PRO 103 Cb 1.09 0.02 -0.41 0.00 0.13 0.00 0.00 31.00 31.83 2eei h PRO 103 CO 0.12 1.11 -0.75 -1.54 -0.23 0.00 0.00 178.00 176.71 2eei s SER 104 N -6.85 2.49 -0.10 1.44 1.04 -1.26 -5.13 113.70 105.33 2eei s SER 104 Ca -0.10 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 2eei s SER 104 Cb 0.11 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 2eei s SER 104 CO 0.87 -0.35 -0.08 -0.44 0.98 0.00 0.00 173.24 174.23 2eei s SER 105 N 2.10 4.54 0.00 7.02 0.01 -1.26 -5.26 113.70 120.84 2eei s SER 105 Ca 0.02 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2eei s SER 105 Cb -0.16 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2eei s SER 105 CO -0.11 0.27 0.07 0.61 0.41 0.00 0.00 173.24 174.49