#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa s SER 2 N 0.00 4.76 -0.11 1.61 0.01 -1.26 -5.12 113.70 113.59 2cqa s SER 2 Ca 0.00 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 2cqa s SER 2 Cb 0.00 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 2cqa s SER 2 CO 0.00 0.00 0.21 -0.44 0.41 0.00 0.00 173.24 173.42 2cqa s SER 3 N -3.62 6.46 0.00 2.44 0.01 -1.26 -5.08 113.70 112.64 2cqa s SER 3 Ca 0.31 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2cqa s SER 3 Cb -0.07 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2cqa s SER 3 CO 0.21 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.81 2cqa n GLY 4 N 2.23 5.82 3.60 3.44 0.00 -1.26 -5.19 105.19 113.84 2cqa n GLY 4 Ca -0.18 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 2cqa n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqa s SER 5 N 1.00 -0.20 -0.26 1.61 1.04 -1.26 -5.07 113.70 110.56 2cqa s SER 5 Ca 0.00 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.24 2cqa s SER 5 Cb 0.00 0.29 -0.15 0.00 0.10 0.00 0.00 66.02 66.26 2cqa s SER 5 CO 0.00 -0.50 -0.24 -1.20 0.98 0.00 0.00 173.24 172.28 2cqa n SER 6 N -0.29 1.97 0.00 7.02 7.64 -1.26 -5.09 113.62 123.60 2cqa n SER 6 Ca -0.05 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2cqa n SER 6 Cb 0.61 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2cqa n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqa n GLY 7 N 1.65 1.29 3.65 0.23 0.00 -1.26 -5.07 105.19 105.68 2cqa n GLY 7 Ca -0.49 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2cqa n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 8 N 0.00 4.18 -0.30 1.61 -0.14 -1.26 -5.01 119.74 118.82 2cqa s LYS 8 Ca 0.00 0.67 -0.12 0.00 -1.36 0.00 0.00 55.97 55.16 2cqa s LYS 8 Cb 0.00 -3.61 0.17 0.00 -1.68 0.00 0.00 37.83 32.71 2cqa s LYS 8 CO 0.00 -0.35 0.92 -2.00 -0.76 0.00 0.00 175.35 173.17 2cqa s GLU 9 N 2.27 0.32 -0.46 1.68 2.12 -1.26 -5.10 118.70 118.26 2cqa s GLU 9 Ca 0.29 0.68 -0.26 0.00 0.36 0.00 0.00 54.97 56.04 2cqa s GLU 9 Cb -0.16 0.39 -0.07 0.00 0.26 0.00 0.00 34.13 34.56 2cqa s GLU 9 CO 0.09 -0.24 2.40 0.39 -0.54 0.00 0.00 175.26 177.36 2cqa n GLU 10 N 5.26 1.15 -1.67 4.30 1.02 -1.26 -4.88 120.64 124.56 2cqa n GLU 10 Ca -0.07 0.06 -0.44 0.00 -0.02 0.00 0.00 57.16 56.69 2cqa n GLU 10 Cb 0.52 -3.42 -0.03 0.00 -0.02 0.00 0.00 31.44 28.49 2cqa n GLU 10 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2cqa n THR 11 N 7.98 0.58 0.25 2.62 -1.04 -1.26 -4.85 114.28 118.56 2cqa n THR 11 Ca 0.36 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 62.19 2cqa n THR 11 Cb 0.53 -2.14 0.05 0.00 -1.82 0.00 0.00 70.33 66.96 2cqa n THR 11 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2cqa n GLU 12 N 6.60 1.40 -3.81 -2.82 0.28 -1.26 -4.80 120.64 116.23 2cqa n GLU 12 Ca 0.20 -0.94 -0.13 0.00 -0.16 0.00 0.00 57.16 56.13 2cqa n GLU 12 Cb 0.37 -1.37 -0.13 0.00 1.43 0.00 0.00 31.44 31.74 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2cqa s ILE 13 N -1.05 -0.01 -0.06 3.84 1.01 -1.26 -0.22 121.20 123.46 2cqa s ILE 13 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 2cqa s ILE 13 Cb 0.15 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.43 2cqa s ILE 13 CO 0.03 0.01 0.02 -0.63 0.00 0.00 0.00 174.94 174.37 2cqa s ILE 14 N 0.24 0.24 -0.07 2.92 1.01 -1.02 -4.96 121.20 119.56 2cqa s ILE 14 Ca -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 2cqa s ILE 14 Cb -0.03 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 2cqa s ILE 14 CO -0.01 0.23 -0.03 -0.70 0.00 0.00 0.00 174.94 174.44 2cqa s GLU 15 N 1.97 2.87 0.32 2.79 2.12 -1.26 -2.14 118.70 125.36 2cqa s GLU 15 Ca 0.04 -0.49 -0.18 0.00 0.36 0.00 0.00 54.97 54.70 2cqa s GLU 15 Cb -0.12 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.60 2cqa s GLU 15 CO -0.04 0.68 0.73 0.20 -0.54 0.00 0.00 175.26 176.29 2cqa s GLY 16 N -0.94 0.14 -0.47 -1.50 0.00 -1.19 -4.95 107.32 98.42 2cqa s GLY 16 Ca 0.14 -0.52 -0.22 0.00 0.00 0.00 0.00 44.72 44.11 2cqa s GLY 16 CO 0.03 -0.21 0.75 1.85 0.00 0.00 0.00 173.10 175.52 2cqa s GLU 17 N -3.31 3.33 -0.30 2.90 2.12 -1.23 -2.69 118.70 119.52 2cqa s GLU 17 Ca 0.14 -0.27 -0.36 0.00 0.36 0.00 0.00 54.97 54.83 2cqa s GLU 17 Cb -0.05 -3.97 -0.12 0.00 0.26 0.00 0.00 34.13 30.24 2cqa s GLU 17 CO 0.09 -1.15 2.05 0.28 -0.54 0.00 0.00 175.26 175.99 2cqa n VAL 18 N 6.02 0.26 -0.12 3.70 0.31 -1.14 -1.23 118.33 126.14 2cqa n VAL 18 Ca 0.00 -0.19 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 2cqa n VAL 18 Cb 0.48 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.77 2cqa n VAL 18 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2cqa n VAL 19 N 6.36 1.52 -3.86 2.52 0.31 0.11 -0.86 118.33 124.43 2cqa n VAL 19 Ca 0.36 -0.21 -0.12 0.00 -0.01 0.00 0.00 64.34 64.36 2cqa n VAL 19 Cb 0.21 -2.03 -0.12 0.00 -0.91 0.00 0.00 33.84 30.99 2cqa n VAL 19 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2cqa s GLU 20 N -2.61 0.23 -0.35 5.55 2.12 -1.12 -4.76 118.70 117.76 2cqa s GLU 20 Ca -0.35 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2cqa s GLU 20 Cb 0.11 0.10 0.11 0.00 0.26 0.00 0.00 34.13 34.71 2cqa s GLU 20 CO 0.47 -0.04 0.14 0.42 -0.54 0.00 0.00 175.26 175.71 2cqa s ILE 21 N -0.48 0.97 0.22 -3.70 1.01 -1.26 -1.28 121.20 116.68 2cqa s ILE 21 Ca -0.06 -1.74 -0.23 0.00 0.00 0.00 0.00 60.65 58.63 2cqa s ILE 21 Cb -0.04 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.63 2cqa s ILE 21 CO 0.00 -0.76 0.78 -1.58 0.00 0.00 0.00 174.94 173.38 2cqa s GLN 22 N 1.23 4.41 -0.07 2.79 0.74 0.96 -4.95 119.66 124.78 2cqa s GLN 22 Ca 0.13 1.04 -0.03 0.00 0.05 0.00 0.00 55.36 56.55 2cqa s GLN 22 Cb -0.20 -3.00 0.04 0.00 1.10 0.00 0.00 33.01 30.96 2cqa s GLN 22 CO -0.16 0.44 0.07 0.42 -0.55 0.00 0.00 175.29 175.51 2cqa s ILE 23 N -1.41 -0.11 -0.39 -2.34 -1.09 -1.26 -1.85 121.20 112.75 2cqa s ILE 23 Ca 0.42 0.30 -0.12 0.00 -2.23 0.00 0.00 60.65 59.01 2cqa s ILE 23 Cb -0.19 -0.25 0.03 0.00 -1.58 0.00 0.00 42.46 40.47 2cqa s ILE 23 CO 0.23 0.08 0.23 -0.62 -1.23 0.00 0.00 174.94 173.63 2cqa s ASP 24 N 2.17 5.83 0.59 3.58 -1.08 -1.04 -5.06 116.67 121.66 2cqa s ASP 24 Ca 0.04 -1.00 -0.19 0.00 -0.52 0.00 0.00 52.55 50.88 2cqa s ASP 24 Cb -0.13 -2.06 -0.04 0.00 -1.46 0.00 0.00 42.92 39.24 2cqa s ASP 24 CO -0.04 -0.41 1.22 -0.13 0.52 0.00 0.00 175.17 176.32 2cqa s ARG 25 N 1.58 2.96 0.39 4.34 1.81 -1.26 -4.08 118.95 124.69 2cqa s ARG 25 Ca 0.03 1.86 -0.26 0.00 -1.72 0.00 0.00 55.73 55.64 2cqa s ARG 25 Cb -0.19 -1.94 -0.09 0.00 -0.45 0.00 0.00 34.95 32.28 2cqa s ARG 25 CO 0.07 -1.22 1.19 -1.25 -0.68 0.00 0.00 175.30 173.42 2cqa s PRO 26 N -3.30 4.09 0.68 3.54 0.04 -1.26 -5.01 135.00 133.77 2cqa s PRO 26 Ca 0.77 1.91 -0.02 0.00 0.04 0.00 0.00 61.00 63.70 2cqa s PRO 26 Cb -0.31 -2.74 0.09 0.00 0.04 0.00 0.00 34.50 31.58 2cqa s PRO 26 CO 0.34 -0.31 0.95 0.00 0.04 0.00 0.00 177.00 178.02 2cqa s ALA 27 N -1.36 3.60 -0.25 8.56 0.00 -1.26 -5.02 121.76 126.03 2cqa s ALA 27 Ca 0.56 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 2cqa s ALA 27 Cb -0.32 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2cqa s ALA 27 CO 0.41 -1.27 1.43 0.99 0.00 0.00 0.00 175.76 177.32 2cqa s THR 28 N -3.08 3.96 0.00 0.00 2.01 -1.26 -4.60 115.64 112.67 2cqa s THR 28 Ca 0.63 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.72 2cqa s THR 28 Cb -0.08 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.49 2cqa s THR 28 CO 0.43 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2cqa n GLY 29 N 4.39 0.64 3.05 4.40 0.00 -1.26 -5.07 105.19 111.33 2cqa n GLY 29 Ca 0.16 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2cqa n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cqa s THR 30 N 0.00 0.81 0.00 2.61 -4.23 -1.26 -5.13 115.64 108.44 2cqa s THR 30 Ca 0.00 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2cqa s THR 30 Cb 0.00 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.16 2cqa s THR 30 CO 0.00 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2cqa n GLY 31 N 2.79 -0.53 3.28 3.99 0.00 -1.26 -4.98 105.19 108.48 2cqa n GLY 31 Ca -0.14 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 2cqa n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 32 N 0.00 2.76 0.59 1.61 0.01 -1.26 -5.06 113.70 112.34 2cqa s SER 32 Ca 0.00 -0.47 -0.20 0.00 1.31 0.00 0.00 55.95 56.59 2cqa s SER 32 Cb 0.00 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2cqa s SER 32 CO 0.00 0.26 1.24 0.29 0.41 0.00 0.00 173.24 175.44 2cqa n LYS 33 N 2.26 1.33 -3.93 12.44 5.02 -1.26 -4.98 118.16 129.03 2cqa n LYS 33 Ca -0.16 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.53 2cqa n LYS 33 Cb 0.52 -2.45 -0.12 0.00 -0.02 0.00 0.00 35.03 32.96 2cqa n LYS 33 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cqa s VAL 34 N -1.36 0.07 0.04 -0.18 -7.23 -1.25 -4.07 120.40 106.41 2cqa s VAL 34 Ca 0.76 -0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 60.25 2cqa s VAL 34 Cb -0.41 -0.17 0.02 0.00 0.56 0.00 0.00 36.38 36.38 2cqa s VAL 34 CO 0.46 -0.30 0.28 -0.83 -0.31 0.00 0.00 175.10 174.41 2cqa s GLY 35 N -0.88 -0.09 -0.12 2.32 0.00 -1.06 -2.49 107.32 104.99 2cqa s GLY 35 Ca -0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 2cqa s GLY 35 CO -0.01 -0.26 -0.07 1.25 0.00 0.00 0.00 173.10 174.02 2cqa s LYS 36 N -2.57 1.49 0.01 2.90 2.20 -0.77 0.08 119.74 123.08 2cqa s LYS 36 Ca -0.05 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.32 2cqa s LYS 36 Cb -0.01 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.62 2cqa s LYS 36 CO -0.04 -0.30 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.35 2cqa s LEU 37 N 1.70 2.83 -0.12 5.43 2.96 0.77 -0.02 118.68 132.23 2cqa s LEU 37 Ca 0.04 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2cqa s LEU 37 Cb -0.13 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.96 2cqa s LEU 37 CO -0.08 0.29 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.29 2cqa s THR 38 N -0.91 0.89 -0.08 3.68 2.01 -0.41 0.82 115.64 121.65 2cqa s THR 38 Ca 0.15 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2cqa s THR 38 Cb -0.11 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2cqa s THR 38 CO 0.05 0.28 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.41 2cqa s LEU 39 N 1.76 3.02 -0.62 4.42 1.02 -0.50 0.10 118.68 127.87 2cqa s LEU 39 Ca 0.04 -0.11 -0.22 0.00 0.02 0.00 0.00 54.13 53.87 2cqa s LEU 39 Cb -0.13 -1.65 0.07 0.00 0.02 0.00 0.00 46.19 44.50 2cqa s LEU 39 CO -0.08 0.32 0.88 -0.75 0.02 0.00 0.00 176.35 176.74 2cqa s LYS 40 N -0.57 3.11 0.50 1.70 2.20 -0.36 -1.89 119.74 124.44 2cqa s LYS 40 Ca 0.08 -0.90 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 2cqa s LYS 40 Cb -0.12 -4.21 0.02 0.00 -1.51 0.00 0.00 37.83 32.02 2cqa s LYS 40 CO 0.02 -1.68 0.70 0.95 -0.36 0.00 0.00 175.35 174.98 2cqa s THR 41 N 3.62 2.82 -0.45 3.43 -4.23 0.48 -3.54 115.64 117.79 2cqa s THR 41 Ca 0.20 -0.78 -0.40 0.00 -1.18 0.00 0.00 61.69 59.54 2cqa s THR 41 Cb -0.18 -3.02 -0.17 0.00 1.34 0.00 0.00 72.50 70.47 2cqa s THR 41 CO 0.10 -0.01 1.84 0.41 -0.54 0.00 0.00 174.62 176.42 2cqa n THR 42 N -2.17 0.00 -3.73 3.99 -1.04 -1.26 0.33 114.28 110.41 2cqa n THR 42 Ca 0.08 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.79 2cqa n THR 42 Cb 0.59 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 68.60 2cqa n THR 42 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2cqa n GLU 43 N 6.26 -0.82 -3.64 -2.82 -0.58 -1.26 -4.83 120.64 112.95 2cqa n GLU 43 Ca 0.46 0.09 -0.05 0.00 -0.42 0.00 0.00 57.16 57.24 2cqa n GLU 43 Cb -0.04 -3.24 -0.07 0.00 -0.57 0.00 0.00 31.44 27.52 2cqa n GLU 43 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2cqa s MET 44 N -5.65 0.52 -0.26 3.49 1.75 0.15 -5.14 119.30 114.16 2cqa s MET 44 Ca 0.48 0.83 -0.04 0.00 -1.25 0.00 0.00 55.69 55.71 2cqa s MET 44 Cb -0.28 0.14 0.02 0.00 2.84 0.00 0.00 34.83 37.55 2cqa s MET 44 CO 0.74 -0.10 -0.01 -2.00 -0.65 0.00 0.00 175.02 173.00 2cqa s GLU 45 N 1.18 2.99 -0.12 4.11 2.12 -1.26 0.18 118.70 127.91 2cqa s GLU 45 Ca -0.07 -0.89 -0.03 0.00 0.36 0.00 0.00 54.97 54.34 2cqa s GLU 45 Cb -0.04 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 2cqa s GLU 45 CO -0.14 -0.39 -0.01 0.99 -0.54 0.00 0.00 175.26 175.17 2cqa s THR 46 N 1.40 4.18 -0.39 -1.70 2.01 -0.79 -4.97 115.64 115.39 2cqa s THR 46 Ca 0.02 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 2cqa s THR 46 Cb -0.16 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.58 2cqa s THR 46 CO -0.02 0.55 0.24 -0.63 -0.69 0.00 0.00 174.62 174.06 2cqa s ILE 47 N -0.29 4.75 0.02 1.82 1.01 -1.26 -1.41 121.20 125.84 2cqa s ILE 47 Ca 0.06 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 2cqa s ILE 47 Cb -0.12 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 2cqa s ILE 47 CO 0.02 -0.27 0.45 -0.31 0.00 0.00 0.00 174.94 174.83 2cqa s TYR 48 N 1.58 3.75 0.49 3.97 2.02 0.24 -4.91 117.35 124.49 2cqa s TYR 48 Ca 0.03 1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 57.71 2cqa s TYR 48 Cb -0.19 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 2cqa s TYR 48 CO 0.07 0.62 0.84 0.16 -1.57 0.00 0.00 175.55 175.68 2cqa s ASP 49 N -1.06 6.36 0.17 2.29 -4.77 -1.26 -0.17 116.67 118.23 2cqa s ASP 49 Ca 0.25 1.12 0.04 0.00 -3.30 0.00 0.00 52.55 50.67 2cqa s ASP 49 Cb -0.17 -2.33 -0.05 0.00 -1.09 0.00 0.00 42.92 39.28 2cqa s ASP 49 CO 0.15 -0.58 -0.08 -0.76 0.70 0.00 0.00 175.17 174.60 2cqa s LEU 50 N -4.51 2.45 0.00 2.11 1.43 0.11 -4.83 118.68 115.44 2cqa s LEU 50 Ca 0.51 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2cqa s LEU 50 Cb -0.10 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.76 2cqa s LEU 50 CO 0.42 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2cqa n GLY 51 N -0.26 2.48 0.13 -3.19 0.00 -1.26 -2.56 105.19 100.53 2cqa n GLY 51 Ca -0.09 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2cqa n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cqa n THR 52 N 0.00 1.35 -0.02 2.61 -1.04 -1.26 -3.94 114.28 111.99 2cqa n THR 52 Ca 0.00 -0.49 -0.16 0.00 -2.04 0.00 0.00 64.05 61.36 2cqa n THR 52 Cb 0.00 -1.41 -0.12 0.00 -1.82 0.00 0.00 70.33 66.98 2cqa n THR 52 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2cqa h LYS 53 N -0.14 0.21 -0.94 -2.82 1.79 -1.95 -3.11 116.57 109.61 2cqa h LYS 53 Ca -0.54 -0.25 0.22 0.00 -2.18 0.00 0.00 60.65 57.89 2cqa h LYS 53 Cb 1.77 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 32.43 2cqa h LYS 53 CO -0.13 1.01 0.62 0.52 -1.08 0.00 0.00 179.45 180.39 2cqa h MET 54 N -0.49 0.40 -0.00 3.15 2.86 -1.82 -1.23 114.93 117.80 2cqa h MET 54 Ca -0.05 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2cqa h MET 54 Cb 1.15 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 2cqa h MET 54 CO 0.07 0.27 -0.00 0.82 1.06 0.00 0.00 176.91 179.12 2cqa h ILE 55 N 0.42 1.38 -1.11 -1.22 2.04 -1.74 -3.00 117.51 114.27 2cqa h ILE 55 Ca 0.50 -1.12 0.32 0.00 1.00 0.00 0.00 64.86 65.57 2cqa h ILE 55 Cb 1.24 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.40 2cqa h ILE 55 CO -0.20 0.29 0.97 -0.33 0.00 0.00 0.00 178.15 178.88 2cqa h GLU 56 N -0.46 0.00 0.04 2.37 4.39 -1.15 0.83 114.58 120.60 2cqa h GLU 56 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2cqa h GLU 56 Cb 0.48 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2cqa h GLU 56 CO 0.00 0.00 -1.05 0.77 -1.16 0.00 0.00 179.01 177.57 2cqa h SER 57 N 0.00 0.86 1.02 1.42 0.02 -1.38 -1.49 113.55 114.00 2cqa h SER 57 Ca 0.53 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2cqa h SER 57 Cb 2.47 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.74 2cqa h SER 57 CO -0.01 1.53 0.00 0.18 -1.14 0.00 0.00 176.83 177.39 2cqa n LEU 58 N -3.88 0.64 -0.05 5.07 4.77 0.27 -2.32 117.00 121.50 2cqa n LEU 58 Ca -0.12 0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 2cqa n LEU 58 Cb 0.89 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2cqa n LEU 58 CO 0.56 -0.36 -1.00 0.35 -1.33 0.00 0.00 177.39 175.60 2cqa n THR 59 N -2.15 1.67 0.15 -5.08 -2.24 -0.31 -1.46 114.28 104.85 2cqa n THR 59 Ca 0.04 -0.60 0.01 0.00 -2.27 0.00 0.00 64.05 61.23 2cqa n THR 59 Cb 0.31 -1.64 0.29 0.00 -2.10 0.00 0.00 70.33 67.19 2cqa n THR 59 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2cqa h LYS 60 N -0.01 0.06 -0.22 -0.78 2.10 -1.26 -2.78 116.57 113.68 2cqa h LYS 60 Ca -0.48 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2cqa h LYS 60 Cb 1.95 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 2cqa h LYS 60 CO 0.00 0.47 0.00 -0.25 -2.00 0.00 0.00 179.45 177.68 2cqa n ASP 61 N -4.03 2.87 -4.19 7.07 9.92 -0.98 -4.98 116.55 122.23 2cqa n ASP 61 Ca -0.02 -1.84 -0.29 0.00 -0.53 0.00 0.00 54.79 52.11 2cqa n ASP 61 Cb 0.46 -0.14 -0.07 0.00 -0.64 0.00 0.00 41.12 40.73 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cqa n LYS 62 N 1.06 -1.87 -1.88 -1.24 4.76 -1.01 -4.82 118.16 113.15 2cqa n LYS 62 Ca 0.14 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.37 2cqa n LYS 62 Cb 0.48 -4.02 -0.03 0.00 -1.84 0.00 0.00 35.03 29.62 2cqa n LYS 62 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cqa s VAL 63 N -4.15 2.40 0.30 -0.18 1.01 -0.54 -5.01 120.40 114.24 2cqa s VAL 63 Ca 0.06 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2cqa s VAL 63 Cb -0.03 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 2cqa s VAL 63 CO 0.96 0.03 0.07 -1.10 0.00 0.00 0.00 175.10 175.06 2cqa s GLN 64 N 0.58 1.58 0.58 2.72 -0.21 -1.26 -4.96 119.66 118.69 2cqa s GLN 64 Ca 0.68 -1.87 -0.20 0.00 0.02 0.00 0.00 55.36 53.99 2cqa s GLN 64 Cb -0.45 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 32.86 2cqa s GLN 64 CO 0.36 -0.23 1.31 0.00 -2.12 0.00 0.00 175.29 174.61 2cqa s ALA 65 N -3.45 2.64 0.00 6.09 0.00 -1.26 -3.16 121.76 122.62 2cqa s ALA 65 Ca 0.37 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2cqa s ALA 65 Cb 0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2cqa s ALA 65 CO 0.15 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.93 2cqa n GLY 66 N 0.74 2.89 3.72 0.00 0.00 -0.04 -5.01 105.19 107.50 2cqa n GLY 66 Ca 0.13 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2cqa n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqa s ASP 67 N 0.37 6.87 -0.38 1.61 1.11 -1.19 -4.75 116.67 120.31 2cqa s ASP 67 Ca 0.00 1.04 -0.29 0.00 0.18 0.00 0.00 52.55 53.48 2cqa s ASP 67 Cb 0.00 -2.36 0.02 0.00 1.07 0.00 0.00 42.92 41.65 2cqa s ASP 67 CO 0.00 -0.05 1.08 -0.69 1.18 0.00 0.00 175.17 176.69 2cqa s VAL 68 N 0.63 4.41 0.10 -1.27 1.01 0.05 -2.87 120.40 122.46 2cqa s VAL 68 Ca 0.32 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2cqa s VAL 68 Cb -0.17 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2cqa s VAL 68 CO 0.15 -0.67 -0.09 0.27 0.00 0.00 0.00 175.10 174.76 2cqa s ILE 69 N 3.92 3.46 0.42 2.22 -5.25 -1.09 -1.97 121.20 122.90 2cqa s ILE 69 Ca 0.45 -1.21 0.07 0.00 -0.99 0.00 0.00 60.65 58.98 2cqa s ILE 69 Cb -0.10 -2.61 0.01 0.00 2.95 0.00 0.00 42.46 42.70 2cqa s ILE 69 CO 0.21 0.13 0.57 0.42 -1.79 0.00 0.00 174.94 174.49 2cqa s THR 70 N -1.21 3.08 -0.19 8.37 -4.23 0.69 -3.16 115.64 118.98 2cqa s THR 70 Ca 0.22 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 2cqa s THR 70 Cb -0.11 -3.04 0.08 0.00 1.34 0.00 0.00 72.50 70.77 2cqa s THR 70 CO 0.14 -0.02 0.15 -0.63 -0.54 0.00 0.00 174.62 173.72 2cqa s ILE 71 N -2.36 -0.19 -0.52 2.99 1.01 -0.91 -2.84 121.20 118.39 2cqa s ILE 71 Ca 0.54 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.79 2cqa s ILE 71 Cb -0.10 -0.65 0.05 0.00 0.01 0.00 0.00 42.46 41.77 2cqa s ILE 71 CO 0.33 -0.28 0.76 -0.62 0.00 0.00 0.00 174.94 175.13 2cqa s ASP 72 N 2.21 6.28 0.34 3.58 -1.08 -0.50 -2.44 116.67 125.07 2cqa s ASP 72 Ca 0.04 -0.62 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 2cqa s ASP 72 Cb -0.16 -2.36 0.61 0.00 -1.46 0.00 0.00 42.92 39.56 2cqa s ASP 72 CO -0.12 -1.03 1.79 0.11 0.52 0.00 0.00 175.17 176.44 2cqa h LYS 73 N 9.12 0.20 0.34 4.34 1.57 -0.90 1.68 116.57 132.92 2cqa h LYS 73 Ca -0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2cqa h LYS 73 Cb 1.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2cqa h LYS 73 CO 1.01 0.49 -0.21 0.00 -0.57 0.00 0.00 179.45 180.17 2cqa h ALA 74 N 1.51 -0.52 0.00 3.86 0.00 -1.91 -3.11 119.26 119.08 2cqa h ALA 74 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2cqa h ALA 74 Cb 0.64 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2cqa h ALA 74 CO 0.05 -0.81 -0.99 0.25 0.00 0.00 0.00 179.25 177.75 2cqa n THR 75 N -5.34 0.16 -2.50 0.00 -2.24 -1.19 -4.97 114.28 98.21 2cqa n THR 75 Ca -0.10 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 2cqa n THR 75 Cb 0.25 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 2cqa n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 76 N 1.38 -0.19 3.53 3.38 0.00 0.57 -5.02 105.19 108.84 2cqa n GLY 76 Ca 0.02 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2cqa n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 77 N -4.99 1.91 -0.15 1.61 1.02 -0.97 -4.59 119.74 113.58 2cqa s LYS 77 Ca 0.09 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.80 2cqa s LYS 77 Cb -0.04 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 2cqa s LYS 77 CO 0.11 0.44 -0.11 0.42 -0.92 0.00 0.00 175.35 175.30 2cqa s ILE 78 N -1.53 3.12 -0.06 2.17 1.01 -1.26 -1.41 121.20 123.24 2cqa s ILE 78 Ca 0.22 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.30 2cqa s ILE 78 Cb -0.09 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2cqa s ILE 78 CO 0.13 0.51 -0.23 -0.44 0.00 0.00 0.00 174.94 174.91 2cqa s SER 79 N 0.58 2.88 0.11 3.58 0.01 -1.13 -4.85 113.70 114.87 2cqa s SER 79 Ca -0.07 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 56.54 2cqa s SER 79 Cb -0.15 -0.91 -0.07 0.00 0.21 0.00 0.00 66.02 65.10 2cqa s SER 79 CO 0.03 0.21 0.55 -0.75 0.41 0.00 0.00 173.24 173.68 2cqa s LYS 80 N -0.01 4.04 0.00 12.44 2.20 -1.26 -0.22 119.74 136.93 2cqa s LYS 80 Ca -0.07 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2cqa s LYS 80 Cb -0.14 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2cqa s LYS 80 CO 0.04 0.54 0.00 1.28 -0.36 0.00 0.00 175.35 176.86 2cqa n LEU 81 N 1.16 0.84 0.00 5.43 4.77 -0.83 -4.94 117.00 123.43 2cqa n LEU 81 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2cqa n LEU 81 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2cqa n LEU 81 CO 0.42 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2cqa n GLY 82 N 3.01 0.42 3.74 -0.72 0.00 -0.91 -4.94 105.19 105.79 2cqa n GLY 82 Ca 0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2cqa n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqa s ARG 83 N 0.00 4.37 -0.91 1.61 6.06 -1.26 -0.77 118.95 128.04 2cqa s ARG 83 Ca 0.00 2.07 -0.24 0.00 -2.50 0.00 0.00 55.73 55.06 2cqa s ARG 83 Cb 0.00 -3.19 -0.02 0.00 0.06 0.00 0.00 34.95 31.80 2cqa s ARG 83 CO 0.00 -0.29 1.81 -1.54 -2.50 0.00 0.00 175.30 172.78 2cqa s SER 84 N 0.43 5.51 0.03 -2.12 1.04 -1.26 -4.93 113.70 112.39 2cqa s SER 84 Ca 0.58 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 2cqa s SER 84 Cb -0.37 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.11 2cqa s SER 84 CO 0.38 -2.40 1.90 0.72 0.98 0.00 0.00 173.24 174.82 2cqa s PHE 85 N 8.67 1.47 0.30 5.02 -0.71 -1.26 -4.95 117.98 126.51 2cqa s PHE 85 Ca 0.63 -0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 56.12 2cqa s PHE 85 Cb -0.05 -4.19 0.00 0.00 -1.21 0.00 0.00 43.02 37.58 2cqa s PHE 85 CO -0.02 -5.23 0.50 -0.08 -1.34 0.00 0.00 175.22 169.06 2cqa s THR 86 N 4.23 0.00 0.01 -4.49 -1.32 -1.26 -5.17 115.64 107.64 2cqa s THR 86 Ca 0.85 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2cqa s THR 86 Cb -0.41 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.09 2cqa s THR 86 CO 0.39 0.00 0.08 -0.13 -2.21 0.00 0.00 174.62 172.75 2cqa s ARG 87 N -3.48 3.03 0.14 7.08 3.00 -1.26 -5.02 118.95 122.44 2cqa s ARG 87 Ca 0.25 -0.52 -0.16 0.00 0.00 0.00 0.00 55.73 55.30 2cqa s ARG 87 Cb -0.01 -2.83 0.01 0.00 0.00 0.00 0.00 34.95 32.12 2cqa s ARG 87 CO 0.13 0.64 1.74 0.00 0.00 0.00 0.00 175.30 177.81 2cqa h ALA 88 N 4.01 0.54 -3.91 2.13 0.00 -2.03 -3.42 119.26 116.58 2cqa h ALA 88 Ca -0.49 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 53.64 2cqa h ALA 88 Cb 1.18 -0.17 -0.29 0.00 0.00 0.00 0.00 17.79 18.51 2cqa h ALA 88 CO 0.62 0.08 -0.84 -0.98 0.00 0.00 0.00 179.25 178.13 2cqa s ARG 89 N -5.80 2.67 -0.19 0.00 1.70 -1.26 -5.04 118.95 111.04 2cqa s ARG 89 Ca -0.13 -0.83 -0.15 0.00 -0.47 0.00 0.00 55.73 54.15 2cqa s ARG 89 Cb 0.11 -2.28 -0.07 0.00 -0.57 0.00 0.00 34.95 32.13 2cqa s ARG 89 CO 0.74 0.40 -0.24 -1.13 -1.08 0.00 0.00 175.30 173.99 2cqa n SER 90 N 2.91 1.90 -4.76 -2.89 3.41 -1.26 -4.97 113.62 107.95 2cqa n SER 90 Ca -0.17 0.43 -0.38 0.00 -0.26 0.00 0.00 58.87 58.49 2cqa n SER 90 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2cqa n SER 90 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cqa s GLY 91 N -4.80 2.82 0.10 5.00 0.00 -1.26 -4.96 107.32 104.22 2cqa s GLY 91 Ca -0.26 1.07 -0.31 0.00 0.00 0.00 0.00 44.72 45.22 2cqa s GLY 91 CO 0.39 1.56 1.37 2.56 0.00 0.00 0.00 173.10 178.99 2cqa s PRO 92 N -2.70 4.33 -0.19 2.90 0.04 -1.26 -4.92 135.00 133.20 2cqa s PRO 92 Ca 0.65 2.04 -0.38 0.00 0.04 0.00 0.00 61.00 63.35 2cqa s PRO 92 Cb -0.33 -3.29 -0.14 0.00 0.04 0.00 0.00 34.50 30.78 2cqa s PRO 92 CO 0.40 -0.43 1.78 0.45 0.04 0.00 0.00 177.00 179.23 2cqa n SER 93 N 4.09 2.76 -4.66 6.66 2.88 -1.26 -4.85 113.62 119.24 2cqa n SER 93 Ca 0.11 1.04 -0.44 0.00 -1.33 0.00 0.00 58.87 58.26 2cqa n SER 93 Cb 0.43 -1.23 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 2cqa n SER 93 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cqa n SER 94 N 5.69 2.33 0.00 -3.46 3.41 -1.26 -5.29 113.62 115.04 2cqa n SER 94 Ca 0.25 1.19 0.11 0.00 -0.26 0.00 0.00 58.87 60.15 2cqa n SER 94 Cb 0.19 -1.41 0.65 0.00 -0.26 0.00 0.00 64.21 63.38 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49