#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xac n GLN 11 N 0.00 1.46 0.00 -0.41 6.02 -1.26 -5.11 117.38 118.08 2xac n GLN 11 Ca 0.00 -3.53 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 2xac n GLN 11 Cb 0.00 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.70 2xac n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xac n ARG 12 N -0.01 0.00 -0.06 -1.09 1.74 -1.26 -3.46 116.66 112.52 2xac n ARG 12 Ca 0.19 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.19 2xac n ARG 12 Cb 0.72 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.26 2xac n ARG 12 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2xac h LYS 13 N 0.00 0.70 -6.24 5.56 1.63 -2.06 -3.40 116.57 112.77 2xac h LYS 13 Ca 0.00 -0.31 -0.56 0.00 -0.85 0.00 0.00 60.65 58.93 2xac h LYS 13 Cb 0.00 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2xac h LYS 13 CO 0.00 0.91 1.01 0.08 -3.45 0.00 0.00 179.45 178.00 2xac s VAL 14 N -4.47 3.95 -0.09 2.00 1.01 -1.26 -4.96 120.40 116.58 2xac s VAL 14 Ca -0.09 1.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 2xac s VAL 14 Cb 0.13 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2xac s VAL 14 CO 0.83 -0.20 2.05 0.52 0.00 0.00 0.00 175.10 178.30 2xac n VAL 15 N 5.75 0.57 -2.32 2.92 0.31 -1.26 -4.92 118.33 119.38 2xac n VAL 15 Ca 0.16 -0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 2xac n VAL 15 Cb 0.45 -2.25 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 2xac n VAL 15 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2xac s SER 16 N 5.74 5.87 0.20 4.52 1.04 -1.23 -4.75 113.70 125.09 2xac s SER 16 Ca 0.95 2.13 -0.30 0.00 0.48 0.00 0.00 55.95 59.21 2xac s SER 16 Cb -0.49 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 62.97 2xac s SER 16 CO 0.43 -1.12 1.23 0.86 0.98 0.00 0.00 173.24 175.62 2xac s TRP 17 N -1.80 3.37 0.00 5.02 -0.00 -1.26 -0.19 118.94 124.08 2xac s TRP 17 Ca 0.71 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 2xac s TRP 17 Cb -0.22 -3.48 0.00 0.00 -0.00 0.00 0.00 33.47 29.77 2xac s TRP 17 CO 0.26 -1.38 0.00 -0.89 -0.00 0.00 0.00 176.95 174.94 2xac n ILE 18 N 2.40 0.00 0.14 5.86 5.41 -1.26 -4.71 119.36 127.20 2xac n ILE 18 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2xac n ILE 18 Cb 0.44 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.54 2xac n ILE 18 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2xac h ASP 19 N 0.00 0.00 -0.06 4.38 3.32 -1.70 -2.37 116.42 119.99 2xac h ASP 19 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2xac h ASP 19 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2xac h ASP 19 CO 0.00 0.59 -0.14 1.62 -1.72 0.00 0.00 179.24 179.60 2xac h VAL 20 N 0.00 1.42 0.86 -1.35 3.04 -0.86 -3.04 116.25 116.32 2xac h VAL 20 Ca -0.01 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 64.18 2xac h VAL 20 Cb 1.14 2.23 0.01 0.00 -2.01 0.00 0.00 31.29 32.65 2xac h VAL 20 CO 0.08 0.41 -0.41 0.22 -1.01 0.00 0.00 177.57 176.85 2xac h TYR 21 N -0.29 -1.07 -0.73 3.17 3.20 -1.80 -1.74 116.97 117.72 2xac h TYR 21 Ca 0.00 -0.03 0.13 0.00 3.14 0.00 0.00 58.73 61.98 2xac h TYR 21 Cb 0.72 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.26 2xac h TYR 21 CO 0.12 -0.66 0.29 1.79 -1.64 0.00 0.00 178.16 178.06 2xac h THR 22 N -1.23 0.69 -0.70 1.81 1.35 -1.58 -0.48 112.91 112.76 2xac h THR 22 Ca -0.12 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.60 2xac h THR 22 Cb 0.89 0.20 -0.04 0.00 -1.73 0.00 0.00 68.15 67.47 2xac h THR 22 CO 0.19 0.08 0.47 -0.09 -0.25 0.00 0.00 175.52 175.92 2xac h ARG 23 N 0.45 0.92 -1.10 4.72 2.43 -1.49 -2.85 114.38 117.46 2xac h ARG 23 Ca 0.39 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.90 2xac h ARG 23 Cb 0.57 -0.21 -0.26 0.00 -0.42 0.00 0.00 29.97 29.65 2xac h ARG 23 CO -0.38 0.61 0.79 0.00 -1.51 0.00 0.00 179.97 179.48 2xac n ALA 24 N -2.29 6.10 -2.64 2.80 0.00 -0.24 -4.94 120.51 119.30 2xac n ALA 24 Ca 0.06 -3.12 -0.28 0.00 0.00 0.00 0.00 53.44 50.10 2xac n ALA 24 Cb 0.02 -1.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.69 2xac n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2xac s THR 25 N -4.33 3.65 -0.73 0.00 2.01 -0.88 -3.61 115.64 111.75 2xac s THR 25 Ca 0.58 -1.29 -0.32 0.00 0.31 0.00 0.00 61.69 60.98 2xac s THR 25 Cb 0.46 -2.77 -0.16 0.00 0.01 0.00 0.00 72.50 70.03 2xac s THR 25 CO -0.01 0.01 2.51 0.00 -0.69 0.00 0.00 174.62 176.44 2xac s GLN 27 N 8.15 1.54 0.20 0.00 -2.07 -1.03 -4.75 119.66 121.72 2xac s GLN 27 Ca 1.21 -1.38 -0.30 0.00 -1.82 0.00 0.00 55.36 53.08 2xac s GLN 27 Cb -0.95 0.44 -0.08 0.00 -1.09 0.00 0.00 33.01 31.32 2xac s GLN 27 CO 0.45 -0.62 1.08 -1.25 -1.32 0.00 0.00 175.29 173.62 2xac s PRO 28 N -3.91 4.64 0.12 9.60 0.04 -1.26 -0.53 135.00 143.69 2xac s PRO 28 Ca 0.26 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 2xac s PRO 28 Cb 0.01 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.30 2xac s PRO 28 CO 0.11 0.16 0.30 -0.98 0.04 0.00 0.00 177.00 176.62 2xac s ARG 29 N -0.68 0.99 -0.10 4.56 1.70 0.47 -4.79 118.95 121.10 2xac s ARG 29 Ca 0.47 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 2xac s ARG 29 Cb -0.29 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 2xac s ARG 29 CO 0.36 -0.36 1.23 -1.83 -1.08 0.00 0.00 175.30 173.62 2xac s GLU 30 N -3.85 4.30 -0.06 3.89 4.04 -1.25 -0.54 118.70 125.23 2xac s GLU 30 Ca 0.06 1.68 0.01 0.00 0.04 0.00 0.00 54.97 56.75 2xac s GLU 30 Cb 0.03 -3.64 0.02 0.00 0.02 0.00 0.00 34.13 30.56 2xac s GLU 30 CO -0.10 -0.55 -0.07 0.08 -1.84 0.00 0.00 175.26 172.78 2xac s VAL 31 N 2.71 0.79 0.26 1.83 1.01 0.26 -4.95 120.40 122.31 2xac s VAL 31 Ca 0.56 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 2xac s VAL 31 Cb -0.24 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 2xac s VAL 31 CO 0.19 0.29 1.33 -0.69 0.00 0.00 0.00 175.10 176.23 2xac s VAL 32 N 1.01 2.91 -0.01 2.92 1.01 -1.26 -1.58 120.40 125.39 2xac s VAL 32 Ca -0.09 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2xac s VAL 32 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2xac s VAL 32 CO -0.00 0.15 0.02 -0.69 0.00 0.00 0.00 175.10 174.58 2xac s VAL 33 N -0.40 -0.01 1.21 2.92 1.01 -0.08 -4.95 120.40 120.10 2xac s VAL 33 Ca 0.54 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 2xac s VAL 33 Cb -0.39 -0.05 0.29 0.00 0.00 0.00 0.00 36.38 36.23 2xac s VAL 33 CO 0.45 0.02 1.03 -2.84 0.00 0.00 0.00 175.10 173.75 2xac s PRO 34 N 0.23 -1.31 0.34 2.72 0.02 -1.26 -0.02 135.00 135.72 2xac s PRO 34 Ca -0.02 0.39 -0.27 0.00 0.02 0.00 0.00 61.00 61.12 2xac s PRO 34 Cb -0.03 -1.55 -0.09 0.00 0.02 0.00 0.00 34.50 32.86 2xac s PRO 34 CO -0.01 -3.87 1.10 -0.51 -0.33 0.00 0.00 177.00 173.38 2xac s LEU 35 N -7.20 4.36 0.13 -5.54 1.02 -1.23 -4.52 118.68 105.69 2xac s LEU 35 Ca 0.68 2.22 -0.31 0.00 0.02 0.00 0.00 54.13 56.74 2xac s LEU 35 Cb -0.18 -3.88 -0.08 0.00 0.02 0.00 0.00 46.19 42.08 2xac s LEU 35 CO 0.60 -0.35 1.35 0.42 0.02 0.00 0.00 176.35 178.38 2xac s THR 36 N -1.36 3.36 -0.36 5.49 -4.23 -1.26 -4.72 115.64 112.55 2xac s THR 36 Ca 0.51 1.01 -0.35 0.00 -1.18 0.00 0.00 61.69 61.68 2xac s THR 36 Cb -0.29 -3.65 -0.12 0.00 1.34 0.00 0.00 72.50 69.79 2xac s THR 36 CO 0.36 0.10 2.20 0.52 -0.54 0.00 0.00 174.62 177.26 2xac n VAL 37 N 3.60 0.17 0.00 2.29 0.31 -1.26 0.17 118.33 123.61 2xac n VAL 37 Ca 0.10 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2xac n VAL 37 Cb 0.43 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2xac n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2xac n GLU 38 N 8.20 0.00 -0.02 5.55 4.71 -1.26 -4.80 120.64 133.03 2xac n GLU 38 Ca 0.42 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.69 2xac n GLU 38 Cb 0.22 0.00 0.11 0.00 -1.01 0.00 0.00 31.44 30.76 2xac n GLU 38 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2xac n LEU 39 N 0.00 3.03 0.06 -4.62 4.32 0.13 -4.00 117.00 115.91 2xac n LEU 39 Ca 0.00 -1.04 0.12 0.00 -0.02 0.00 0.00 56.01 55.07 2xac n LEU 39 Cb 0.00 -0.02 0.29 0.00 -1.62 0.00 0.00 43.42 42.07 2xac n LEU 39 CO 0.00 0.52 0.58 0.23 -1.22 0.00 0.00 177.39 177.50 2xac n MET 40 N 1.35 0.22 0.01 3.23 2.81 -0.32 -3.89 117.12 120.53 2xac n MET 40 Ca 0.14 0.11 0.03 0.00 -1.81 0.00 0.00 57.70 56.17 2xac n MET 40 Cb 0.60 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 31.32 2xac n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2xac n GLY 41 N 1.36 -1.16 3.51 3.03 0.00 -1.26 -5.00 105.19 105.68 2xac n GLY 41 Ca 0.05 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 2xac n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2xac n THR 42 N -2.67 1.96 -2.34 2.61 -1.04 -1.25 -4.83 114.28 106.72 2xac n THR 42 Ca -0.11 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.05 2xac n THR 42 Cb 0.78 -0.66 -0.04 0.00 -1.82 0.00 0.00 70.33 68.59 2xac n THR 42 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2xac s VAL 43 N -1.14 3.70 -0.15 12.58 1.01 -1.26 -4.91 120.40 130.22 2xac s VAL 43 Ca 0.61 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2xac s VAL 43 Cb -0.73 -4.59 0.04 0.00 0.00 0.00 0.00 36.38 31.10 2xac s VAL 43 CO 0.59 -1.50 0.40 0.00 0.00 0.00 0.00 175.10 174.59 2xac s ALA 44 N 7.20 -1.00 0.34 5.51 0.00 -1.26 -4.97 121.76 127.58 2xac s ALA 44 Ca 0.56 1.18 0.10 0.00 0.00 0.00 0.00 51.96 53.80 2xac s ALA 44 Cb -0.04 -0.69 0.60 0.00 0.00 0.00 0.00 23.12 22.99 2xac s ALA 44 CO -0.03 -0.20 1.77 -0.22 0.00 0.00 0.00 175.76 177.08 2xac h LYS 45 N 5.71 0.08 -2.34 0.00 3.64 -0.27 -3.45 116.57 119.94 2xac h LYS 45 Ca -0.28 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 2xac h LYS 45 Cb 1.18 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.82 2xac h LYS 45 CO 0.26 0.47 0.09 -1.14 -2.27 0.00 0.00 179.45 176.86 2xac s GLN 46 N -4.14 1.00 -0.21 1.90 0.74 -1.14 -5.02 119.66 112.79 2xac s GLN 46 Ca -0.03 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.45 2xac s GLN 46 Cb 0.14 0.46 0.03 0.00 1.10 0.00 0.00 33.01 34.74 2xac s GLN 46 CO 0.74 -0.32 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.50 2xac s LEU 47 N -1.40 2.59 -0.16 3.68 1.43 -1.26 -2.22 118.68 121.33 2xac s LEU 47 Ca -0.10 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2xac s LEU 47 Cb -0.01 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2xac s LEU 47 CO 0.06 -0.06 -0.21 -0.69 0.23 0.00 0.00 176.35 175.69 2xac s VAL 48 N 1.28 2.07 0.87 -1.59 1.01 -0.62 -3.23 120.40 120.20 2xac s VAL 48 Ca 0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 2xac s VAL 48 Cb -0.15 -1.85 0.15 0.00 0.00 0.00 0.00 36.38 34.53 2xac s VAL 48 CO -0.09 0.54 1.23 -2.16 0.00 0.00 0.00 175.10 174.62 2xac s PRO 49 N 1.09 1.26 0.00 2.72 0.04 -1.26 -1.32 135.00 137.54 2xac s PRO 49 Ca 0.00 -0.28 0.29 0.00 0.04 0.00 0.00 61.00 61.04 2xac s PRO 49 Cb -0.14 -1.94 1.24 0.00 0.04 0.00 0.00 34.50 33.70 2xac s PRO 49 CO -0.08 -1.99 1.88 0.43 0.04 0.00 0.00 177.00 177.27 2xac n SER 50 N -3.49 0.34 -3.88 6.66 7.64 -1.20 -4.86 113.62 114.83 2xac n SER 50 Ca 0.12 -0.38 -0.10 0.00 1.01 0.00 0.00 58.87 59.53 2xac n SER 50 Cb 0.60 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.59 2xac n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xac s VAL 52 N -2.98 1.08 -0.15 0.00 -7.23 0.97 -4.95 120.40 107.14 2xac s VAL 52 Ca -0.02 -0.58 -0.22 0.00 -1.81 0.00 0.00 61.98 59.35 2xac s VAL 52 Cb 0.01 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 2xac s VAL 52 CO -0.06 0.31 0.65 -0.89 -0.31 0.00 0.00 175.10 174.80 2xac s THR 53 N -0.30 5.03 0.42 5.32 2.01 -1.26 -0.91 115.64 125.95 2xac s THR 53 Ca 0.05 1.28 0.07 0.00 0.31 0.00 0.00 61.69 63.39 2xac s THR 53 Cb -0.05 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 2xac s THR 53 CO -0.00 0.17 0.14 0.68 -0.69 0.00 0.00 174.62 174.91 2xac s VAL 54 N 1.46 2.17 -0.23 3.82 -7.23 -0.61 -4.90 120.40 114.88 2xac s VAL 54 Ca 0.32 -1.78 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2xac s VAL 54 Cb -0.16 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 2xac s VAL 54 CO 0.13 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.39 2xac s GLN 55 N -3.86 3.67 0.01 4.82 0.74 -1.26 -0.57 119.66 123.21 2xac s GLN 55 Ca 0.38 -0.48 -0.04 0.00 0.05 0.00 0.00 55.36 55.27 2xac s GLN 55 Cb 0.05 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 2xac s GLN 55 CO 0.21 -0.11 0.06 1.03 -0.55 0.00 0.00 175.29 175.93 2xac s ARG 56 N 1.39 0.42 -0.55 1.67 1.81 0.30 -0.47 118.95 123.53 2xac s ARG 56 Ca 0.05 -0.53 -0.26 0.00 -1.72 0.00 0.00 55.73 53.27 2xac s ARG 56 Cb -0.15 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2xac s ARG 56 CO 0.03 -0.09 2.11 0.00 -0.68 0.00 0.00 175.30 176.67 2xac n GLY 58 N 5.83 5.72 7.00 0.00 0.00 0.31 -4.89 105.19 119.16 2xac n GLY 58 Ca 0.28 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2xac n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xac n GLY 59 N 5.00 -0.84 3.21 -0.02 0.00 -1.26 -2.45 105.19 108.83 2xac n GLY 59 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 2xac n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xac n PRO 62 N -2.71 1.40 -3.86 0.00 -0.04 -1.26 -4.84 135.00 123.68 2xac n PRO 62 Ca 0.06 -0.44 -0.10 0.00 -0.04 0.00 0.00 63.50 62.98 2xac n PRO 62 Cb 0.59 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 2xac n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2xac s ASP 63 N -0.66 0.09 0.34 3.54 1.01 -1.26 -5.00 116.67 114.71 2xac s ASP 63 Ca 0.08 -0.49 0.02 0.00 0.71 0.00 0.00 52.55 52.87 2xac s ASP 63 Cb 0.05 0.30 0.59 0.00 1.01 0.00 0.00 42.92 44.87 2xac s ASP 63 CO 0.04 -0.61 1.95 0.44 0.21 0.00 0.00 175.17 177.20 2xac h ASP 64 N 3.24 0.67 -0.17 0.27 3.32 -2.03 -3.22 116.42 118.49 2xac h ASP 64 Ca -0.33 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 2xac h ASP 64 Cb 1.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2xac h ASP 64 CO 0.52 0.57 -0.00 1.23 -1.72 0.00 0.00 179.24 179.84 2xac h GLY 65 N 0.85 0.32 -4.19 2.75 0.00 -1.97 -3.44 103.07 97.40 2xac h GLY 65 Ca 0.19 -0.24 -0.52 0.00 0.00 0.00 0.00 47.33 46.76 2xac h GLY 65 CO -0.03 0.22 0.27 1.08 0.00 0.00 0.00 176.54 178.08 2xac s LEU 66 N -9.51 4.52 -0.03 3.11 1.43 -1.22 -2.19 118.68 114.79 2xac s LEU 66 Ca -0.14 1.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.73 2xac s LEU 66 Cb 0.06 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 2xac s LEU 66 CO 0.72 0.03 -0.26 -1.83 0.23 0.00 0.00 176.35 175.25 2xac s GLU 67 N -0.37 2.25 -0.51 1.70 -1.05 0.46 -4.54 118.70 116.63 2xac s GLU 67 Ca 0.42 -0.92 -0.28 0.00 -0.15 0.00 0.00 54.97 54.04 2xac s GLU 67 Cb -0.23 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.38 2xac s GLU 67 CO 0.28 0.51 1.52 0.00 0.95 0.00 0.00 175.26 178.51 2xac s VAL 69 N 6.44 2.26 -0.10 0.00 -7.23 0.87 -4.86 120.40 117.77 2xac s VAL 69 Ca 0.59 -2.30 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 2xac s VAL 69 Cb -0.13 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2xac s VAL 69 CO 0.27 -0.34 0.52 -2.16 -0.31 0.00 0.00 175.10 173.07 2xac s PRO 70 N -3.58 4.34 0.00 4.82 0.05 -1.26 0.77 135.00 140.15 2xac s PRO 70 Ca 0.30 0.53 0.16 0.00 0.05 0.00 0.00 61.00 62.04 2xac s PRO 70 Cb -0.01 -3.43 -0.14 0.00 0.05 0.00 0.00 34.50 30.97 2xac s PRO 70 CO 0.14 0.17 0.72 0.25 0.05 0.00 0.00 177.00 178.34 2xac n THR 71 N 3.57 0.00 -3.75 1.26 -2.24 1.00 -4.91 114.28 109.21 2xac n THR 71 Ca -0.06 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2xac n THR 71 Cb 0.52 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 2xac n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2xac s GLY 72 N -2.40 -0.10 0.26 3.38 0.00 -0.28 -4.85 107.32 103.33 2xac s GLY 72 Ca 0.08 0.80 -0.21 0.00 0.00 0.00 0.00 44.72 45.39 2xac s GLY 72 CO 0.61 1.04 0.73 -0.86 0.00 0.00 0.00 173.10 174.62 2xac s GLN 73 N 1.06 1.71 0.05 2.90 -2.07 -1.26 0.42 119.66 122.47 2xac s GLN 73 Ca -0.08 -0.92 -0.28 0.00 -1.82 0.00 0.00 55.36 52.26 2xac s GLN 73 Cb -0.10 0.59 0.09 0.00 -1.09 0.00 0.00 33.01 32.51 2xac s GLN 73 CO -0.06 -0.78 0.95 -3.38 -1.32 0.00 0.00 175.29 170.70 2xac s HIS 74 N -3.86 -0.24 -0.17 9.60 -3.43 0.11 -4.88 115.29 112.44 2xac s HIS 74 Ca 0.10 0.04 -0.16 0.00 -0.80 0.00 0.00 55.06 54.24 2xac s HIS 74 Cb -0.05 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 2xac s HIS 74 CO 0.05 -0.63 0.40 -0.65 -2.00 0.00 0.00 174.74 171.90 2xac s GLN 75 N -3.13 4.25 -0.21 -0.38 -1.52 -1.26 -0.18 119.66 117.23 2xac s GLN 75 Ca 0.09 0.25 -0.18 0.00 -1.95 0.00 0.00 55.36 53.57 2xac s GLN 75 Cb -0.01 -3.48 -0.03 0.00 -0.22 0.00 0.00 33.01 29.27 2xac s GLN 75 CO -0.04 0.09 0.50 0.08 -0.25 0.00 0.00 175.29 175.67 2xac s VAL 76 N 0.90 5.11 -0.24 1.09 1.01 -0.87 -4.89 120.40 122.51 2xac s VAL 76 Ca 0.20 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 62.85 2xac s VAL 76 Cb -0.14 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2xac s VAL 76 CO 0.07 0.17 0.75 -0.13 0.00 0.00 0.00 175.10 175.96 2xac s ARG 77 N 1.75 4.17 -0.04 2.72 3.00 -1.26 -2.83 118.95 126.46 2xac s ARG 77 Ca 0.22 0.80 0.01 0.00 0.00 0.00 0.00 55.73 56.76 2xac s ARG 77 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 34.95 31.18 2xac s ARG 77 CO 0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 175.30 174.89 2xac s MET 78 N 2.62 0.78 0.04 3.54 0.23 0.88 -4.94 119.30 122.45 2xac s MET 78 Ca 0.32 -0.14 -0.30 0.00 -1.03 0.00 0.00 55.69 54.54 2xac s MET 78 Cb -0.15 -0.78 -0.04 0.00 -1.53 0.00 0.00 34.83 32.33 2xac s MET 78 CO 0.08 -0.03 1.04 1.14 -2.03 0.00 0.00 175.02 175.22 2xac s GLN 79 N 0.68 4.54 -0.03 3.16 -2.07 -1.26 -0.14 119.66 124.55 2xac s GLN 79 Ca -0.09 1.53 -0.00 0.00 -1.82 0.00 0.00 55.36 54.97 2xac s GLN 79 Cb -0.12 -3.41 -0.04 0.00 -1.09 0.00 0.00 33.01 28.35 2xac s GLN 79 CO 0.00 -0.07 0.03 0.42 -1.32 0.00 0.00 175.29 174.35 2xac s ILE 80 N 0.85 4.38 -0.10 3.63 1.09 0.15 -4.92 121.20 126.29 2xac s ILE 80 Ca 0.53 -0.44 -0.29 0.00 -1.10 0.00 0.00 60.65 59.36 2xac s ILE 80 Cb -0.24 -2.94 -0.02 0.00 -1.06 0.00 0.00 42.46 38.21 2xac s ILE 80 CO 0.29 0.44 0.96 -0.22 -0.10 0.00 0.00 174.94 176.31 2xac s LEU 81 N -1.41 4.25 -0.80 2.97 2.96 -0.43 -1.10 118.68 125.12 2xac s LEU 81 Ca 0.19 1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 55.55 2xac s LEU 81 Cb -0.12 -3.49 0.20 0.00 0.50 0.00 0.00 46.19 43.28 2xac s LEU 81 CO 0.09 -0.40 0.67 -0.04 -1.32 0.00 0.00 176.35 175.34 2xac s MET 82 N 1.86 3.05 0.02 1.98 -1.94 0.36 -1.59 119.30 123.04 2xac s MET 82 Ca 0.47 -3.02 -0.31 0.00 -1.71 0.00 0.00 55.69 51.12 2xac s MET 82 Cb -0.18 -3.89 -0.10 0.00 2.01 0.00 0.00 34.83 32.67 2xac s MET 82 CO 0.18 -1.24 1.95 -0.89 -0.01 0.00 0.00 175.02 175.02 2xac n ILE 83 N 2.75 0.72 -3.52 2.53 5.41 -0.94 -2.58 119.36 123.72 2xac n ILE 83 Ca 0.17 -0.13 -0.08 0.00 1.00 0.00 0.00 62.75 63.71 2xac n ILE 83 Cb 0.38 -2.24 -0.02 0.00 -0.71 0.00 0.00 39.64 37.05 2xac n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2xac s ARG 84 N 4.31 0.83 3.01 0.38 1.70 -1.26 0.51 118.95 128.42 2xac s ARG 84 Ca 0.89 -0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.84 2xac s ARG 84 Cb -0.48 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.27 2xac s ARG 84 CO 0.43 -0.36 0.00 2.48 -1.08 0.00 0.00 175.30 176.77 2xac n TYR 85 N -0.25 -0.22 -0.01 5.89 -0.00 -1.26 -3.10 117.16 118.21 2xac n TYR 85 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.77 2xac n TYR 85 Cb 0.62 0.10 0.16 0.00 -0.00 0.00 0.00 39.34 40.22 2xac n TYR 85 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 2xac h PRO 86 N 0.00 0.55 -4.53 -3.48 0.13 -2.02 -3.45 132.00 119.20 2xac h PRO 86 Ca 0.00 -0.22 -0.44 0.00 -0.87 0.00 0.00 66.00 64.47 2xac h PRO 86 Cb 0.00 -0.03 -0.32 0.00 0.13 0.00 0.00 31.00 30.79 2xac h PRO 86 CO 0.00 0.77 -0.79 0.45 -0.23 0.00 0.00 178.00 178.20 2xac s SER 87 N -6.80 1.28 0.52 1.44 0.15 -1.19 -5.14 113.70 103.96 2xac s SER 87 Ca -0.07 -0.20 -0.19 0.00 0.70 0.00 0.00 55.95 56.19 2xac s SER 87 Cb 0.13 -0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 63.95 2xac s SER 87 CO 0.80 0.05 1.05 -0.44 1.20 0.00 0.00 173.24 175.90 2xac s SER 88 N 0.36 6.16 0.27 5.45 0.01 -1.18 -4.42 113.70 120.36 2xac s SER 88 Ca -0.06 1.89 0.02 0.00 1.31 0.00 0.00 55.95 59.11 2xac s SER 88 Cb -0.11 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2xac s SER 88 CO 0.01 -0.90 0.14 0.00 0.41 0.00 0.00 173.24 172.90 2xac s GLN 89 N -3.51 1.48 -0.18 12.44 -2.07 -1.07 -4.95 119.66 121.81 2xac s GLN 89 Ca 0.66 -1.82 -0.10 0.00 -1.82 0.00 0.00 55.36 52.28 2xac s GLN 89 Cb -0.16 -0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 31.65 2xac s GLN 89 CO 0.25 -0.41 0.16 -0.51 -1.32 0.00 0.00 175.29 173.47 2xac s LEU 90 N -3.32 4.26 0.14 2.60 1.43 -1.26 -0.49 118.68 122.04 2xac s LEU 90 Ca 0.37 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.91 2xac s LEU 90 Cb 0.06 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2xac s LEU 90 CO 0.16 0.22 -0.26 -0.83 0.23 0.00 0.00 176.35 175.87 2xac s GLY 91 N 0.06 1.61 -0.22 -3.19 0.00 -0.25 -4.95 107.32 100.38 2xac s GLY 91 Ca 0.11 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 2xac s GLY 91 CO 0.00 -1.49 0.42 1.85 0.00 0.00 0.00 173.10 173.88 2xac s GLU 92 N -2.19 4.13 -0.20 2.90 2.12 -1.26 0.33 118.70 124.52 2xac s GLU 92 Ca 0.16 0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.63 2xac s GLU 92 Cb -0.10 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 2xac s GLU 92 CO 0.07 -0.14 0.01 1.41 -0.54 0.00 0.00 175.26 176.07 2xac s MET 93 N 1.62 3.63 -0.06 4.30 -2.45 0.81 -4.93 119.30 122.21 2xac s MET 93 Ca 0.19 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 54.15 2xac s MET 93 Cb -0.15 -3.09 -0.02 0.00 1.25 0.00 0.00 34.83 32.81 2xac s MET 93 CO 0.09 0.01 -0.17 -1.12 1.05 0.00 0.00 175.02 174.87 2xac s SER 94 N 1.02 3.78 0.31 1.11 0.01 -1.25 -0.08 113.70 118.60 2xac s SER 94 Ca 0.02 -0.30 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 2xac s SER 94 Cb -0.14 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2xac s SER 94 CO 0.02 0.29 0.49 -1.48 0.41 0.00 0.00 173.24 172.97 2xac s LEU 95 N -0.42 0.72 -0.02 2.44 0.05 -1.13 -4.96 118.68 115.36 2xac s LEU 95 Ca 0.05 -1.28 -0.30 0.00 0.05 0.00 0.00 54.13 52.64 2xac s LEU 95 Cb -0.12 1.63 -0.04 0.00 -2.05 0.00 0.00 46.19 45.61 2xac s LEU 95 CO 0.02 -1.26 1.18 -0.70 -0.55 0.00 0.00 176.35 175.04 2xac s GLU 96 N -3.33 4.39 -0.01 1.48 2.12 -1.26 -2.05 118.70 120.04 2xac s GLU 96 Ca 0.27 1.68 0.01 0.00 0.36 0.00 0.00 54.97 57.29 2xac s GLU 96 Cb -0.01 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.90 2xac s GLU 96 CO 0.16 -0.37 -0.04 -2.00 -0.54 0.00 0.00 175.26 172.47 2xac s GLU 97 N 1.82 0.43 -0.13 4.30 2.12 0.75 -4.86 118.70 123.13 2xac s GLU 97 Ca 0.56 -0.13 -0.05 0.00 0.36 0.00 0.00 54.97 55.71 2xac s GLU 97 Cb -0.26 -0.45 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 2xac s GLU 97 CO 0.24 0.04 0.06 -1.01 -0.54 0.00 0.00 175.26 174.06 2xac s HIS 98 N 0.19 3.33 -0.12 5.30 3.76 0.39 0.09 115.29 128.22 2xac s HIS 98 Ca -0.02 0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 55.02 2xac s HIS 98 Cb -0.05 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 2xac s HIS 98 CO -0.00 0.45 -0.26 -1.13 -0.85 0.00 0.00 174.74 172.94 2xac n SER 99 N 2.55 1.71 -4.79 1.40 3.41 0.17 -4.37 113.62 113.69 2xac n SER 99 Ca -0.18 0.28 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 2xac n SER 99 Cb 0.54 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 2xac n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2xac s GLN 100 N -2.65 3.98 0.32 4.33 1.11 -0.43 -4.56 119.66 121.77 2xac s GLN 100 Ca -0.23 0.16 0.08 0.00 0.01 0.00 0.00 55.36 55.38 2xac s GLN 100 Cb 0.04 -3.31 -0.06 0.00 -1.01 0.00 0.00 33.01 28.66 2xac s GLN 100 CO 0.33 0.49 -0.06 0.00 0.01 0.00 0.00 175.29 176.06 2xac s GLU 102 N -3.68 0.69 -0.49 0.00 2.12 0.23 -4.68 118.70 112.89 2xac s GLU 102 Ca 0.32 1.00 -0.28 0.00 0.36 0.00 0.00 54.97 56.37 2xac s GLU 102 Cb 0.04 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.70 2xac s GLU 102 CO 0.15 -0.11 1.10 0.00 -0.54 0.00 0.00 175.26 175.86 2xac s ARG 104 N 4.38 1.47 0.63 0.00 0.52 0.69 -4.84 118.95 121.79 2xac s ARG 104 Ca 0.45 -1.59 -0.19 0.00 -0.52 0.00 0.00 55.73 53.88 2xac s ARG 104 Cb -0.08 -1.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 2xac s ARG 104 CO 0.30 0.30 1.25 -2.30 0.02 0.00 0.00 175.30 174.87 2xac n PRO 105 N -0.16 1.16 -0.02 3.54 -0.02 -1.26 0.17 135.00 138.42 2xac n PRO 105 Ca -0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2xac n PRO 105 Cb 0.59 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2xac n PRO 105 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2xac n LYS 106 N -1.61 0.16 -4.44 -0.52 5.02 -0.93 -4.71 118.16 111.13 2xac n LYS 106 Ca 0.15 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.21 2xac n LYS 106 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 2xac n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2xac s LYS 107 N -2.57 1.58 0.00 1.97 1.02 -1.26 -5.09 119.74 115.39 2xac s LYS 107 Ca 0.00 -1.76 0.25 0.00 0.02 0.00 0.00 55.97 54.49 2xac s LYS 107 Cb 0.00 -1.45 0.45 0.00 -0.52 0.00 0.00 37.83 36.31 2xac s LYS 107 CO 0.00 0.19 1.41 1.17 -0.92 0.00 0.00 175.35 177.20