#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 6.43 -0.27 1.61 0.15 -1.26 -4.96 113.70 115.41 2cqa s SER 2 Ca 0.00 2.72 -0.01 0.00 0.70 0.00 0.00 55.95 59.37 2cqa s SER 2 Cb 0.00 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 2cqa s SER 2 CO 0.00 -1.04 0.43 -0.94 1.20 0.00 0.00 173.24 172.89 2cqa s SER 3 N 3.69 -0.07 -0.06 5.45 1.04 -1.26 -5.15 113.70 117.34 2cqa s SER 3 Ca 0.85 0.14 -0.27 0.00 0.48 0.00 0.00 55.95 57.16 2cqa s SER 3 Cb -0.44 1.32 0.06 0.00 0.10 0.00 0.00 66.02 67.06 2cqa s SER 3 CO 0.39 -0.31 0.61 -0.83 0.98 0.00 0.00 173.24 174.09 2cqa s GLY 4 N 2.61 -0.49 -0.42 7.32 0.00 -1.26 -5.13 107.32 109.95 2cqa s GLY 4 Ca 0.13 1.20 -0.10 0.00 0.00 0.00 0.00 44.72 45.95 2cqa s GLY 4 CO -0.21 0.88 0.26 -1.35 0.00 0.00 0.00 173.10 172.67 2cqa s SER 5 N -1.05 5.67 -0.30 1.64 1.04 -1.26 -5.00 113.70 114.44 2cqa s SER 5 Ca -0.10 -1.45 -0.15 0.00 0.48 0.00 0.00 55.95 54.72 2cqa s SER 5 Cb -0.01 -2.00 0.18 0.00 0.10 0.00 0.00 66.02 64.29 2cqa s SER 5 CO 0.08 -0.53 1.10 -0.94 0.98 0.00 0.00 173.24 173.93 2cqa s SER 6 N 2.09 -0.38 0.00 7.02 1.04 -1.26 -5.11 113.70 117.10 2cqa s SER 6 Ca 0.03 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2cqa s SER 6 Cb -0.23 1.38 0.00 0.00 0.10 0.00 0.00 66.02 67.27 2cqa s SER 6 CO 0.03 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2cqa n GLY 7 N 5.11 1.60 3.41 7.32 0.00 -1.26 -5.01 105.19 116.35 2cqa n GLY 7 Ca -0.08 -0.60 -0.50 0.00 0.00 0.00 0.00 46.02 44.85 2cqa n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cqa n LYS 8 N 0.00 0.45 -1.77 1.61 5.02 -1.26 -4.82 118.16 117.39 2cqa n LYS 8 Ca 0.00 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 2cqa n LYS 8 Cb 0.00 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 2cqa n LYS 8 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2cqa s GLU 9 N 7.07 4.15 -0.22 1.97 0.41 -1.26 -4.96 118.70 125.86 2cqa s GLU 9 Ca 1.19 2.55 -0.21 0.00 -0.41 0.00 0.00 54.97 58.09 2cqa s GLU 9 Cb -1.10 -3.26 -0.02 0.00 -1.78 0.00 0.00 34.13 27.97 2cqa s GLU 9 CO 0.52 -0.75 0.64 -1.21 -0.49 0.00 0.00 175.26 173.97 2cqa s GLU 10 N 1.67 4.17 0.10 1.61 0.41 -1.26 -4.93 118.70 120.47 2cqa s GLU 10 Ca 0.76 0.60 0.26 0.00 -0.41 0.00 0.00 54.97 56.18 2cqa s GLU 10 Cb -0.47 -3.61 0.71 0.00 -1.78 0.00 0.00 34.13 28.98 2cqa s GLU 10 CO 0.33 -0.33 1.61 0.25 -0.49 0.00 0.00 175.26 176.63 2cqa n THR 11 N 4.94 0.29 -3.51 3.63 -2.24 -1.26 -4.94 114.28 111.18 2cqa n THR 11 Ca -0.01 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 2cqa n THR 11 Cb 0.49 -0.28 0.07 0.00 -2.10 0.00 0.00 70.33 68.52 2cqa n THR 11 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqa n GLU 12 N -1.92 -7.41 -3.82 -0.78 1.02 -1.26 -4.83 120.64 101.64 2cqa n GLU 12 Ca 0.05 0.79 -0.12 0.00 -0.02 0.00 0.00 57.16 57.86 2cqa n GLU 12 Cb 0.40 -5.70 -0.12 0.00 -0.02 0.00 0.00 31.44 26.00 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2cqa s ILE 13 N -3.29 0.01 -0.08 -3.67 1.01 -1.26 0.15 121.20 114.07 2cqa s ILE 13 Ca 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 2cqa s ILE 13 Cb -0.24 -0.26 0.04 0.00 0.01 0.00 0.00 42.46 42.01 2cqa s ILE 13 CO 0.67 -0.03 0.14 -0.63 0.00 0.00 0.00 174.94 175.10 2cqa s ILE 14 N -0.01 -0.23 0.13 2.92 1.01 -0.54 -4.96 121.20 119.51 2cqa s ILE 14 Ca -0.01 0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.05 2cqa s ILE 14 Cb -0.02 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 2cqa s ILE 14 CO 0.00 0.15 0.06 -0.70 0.00 0.00 0.00 174.94 174.45 2cqa s GLU 15 N 2.27 2.70 0.03 2.79 2.12 -1.26 -1.16 118.70 126.18 2cqa s GLU 15 Ca 0.03 -0.87 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 2cqa s GLU 15 Cb -0.12 -2.58 0.10 0.00 0.26 0.00 0.00 34.13 31.79 2cqa s GLU 15 CO -0.05 0.51 1.09 0.20 -0.54 0.00 0.00 175.26 176.47 2cqa s GLY 16 N -2.69 -0.34 -0.31 -1.50 0.00 -1.18 -4.93 107.32 96.37 2cqa s GLY 16 Ca 0.28 0.63 -0.28 0.00 0.00 0.00 0.00 44.72 45.36 2cqa s GLY 16 CO 0.21 0.16 1.02 1.85 0.00 0.00 0.00 173.10 176.34 2cqa s GLU 17 N -2.86 4.07 -0.32 2.90 2.12 -1.24 -2.97 118.70 120.40 2cqa s GLU 17 Ca 0.11 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.17 2cqa s GLU 17 Cb 0.01 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 2cqa s GLU 17 CO -0.02 -0.84 2.27 0.28 -0.54 0.00 0.00 175.26 176.41 2cqa n VAL 18 N 5.76 0.22 -0.10 3.70 0.31 0.79 -1.56 118.33 127.43 2cqa n VAL 18 Ca 0.11 -0.48 -0.17 0.00 -0.01 0.00 0.00 64.34 63.79 2cqa n VAL 18 Cb 0.47 -2.37 -0.07 0.00 -0.91 0.00 0.00 33.84 30.96 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 7.69 1.50 -3.99 2.52 0.31 0.12 -0.01 118.33 126.47 2cqa n VAL 19 Ca 0.35 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.51 2cqa n VAL 19 Cb 0.41 -2.14 -0.14 0.00 -0.91 0.00 0.00 33.84 31.06 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 -2.50 0.22 -0.36 5.55 2.12 -1.06 -4.76 118.70 117.91 2cqa s GLU 20 Ca -0.29 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2cqa s GLU 20 Cb 0.07 -0.14 0.12 0.00 0.26 0.00 0.00 34.13 34.43 2cqa s GLU 20 CO 0.44 0.03 0.15 0.42 -0.54 0.00 0.00 175.26 175.77 2cqa s ILE 21 N -0.34 1.03 0.08 -3.70 1.01 -1.26 -0.20 121.20 117.82 2cqa s ILE 21 Ca -0.02 -1.84 -0.28 0.00 0.00 0.00 0.00 60.65 58.51 2cqa s ILE 21 Cb -0.03 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 2cqa s ILE 21 CO -0.00 -0.77 0.88 -1.58 0.00 0.00 0.00 174.94 173.46 2cqa s GLN 22 N 1.13 4.61 -0.06 2.79 0.74 0.14 -4.90 119.66 124.11 2cqa s GLN 22 Ca 0.13 1.28 0.01 0.00 0.05 0.00 0.00 55.36 56.83 2cqa s GLN 22 Cb -0.20 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.55 2cqa s GLN 22 CO -0.14 0.24 -0.07 0.42 -0.55 0.00 0.00 175.29 175.19 2cqa s ILE 23 N -0.00 0.79 -0.19 -2.34 -1.09 -1.26 0.33 121.20 117.44 2cqa s ILE 23 Ca 0.43 -0.25 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 2cqa s ILE 23 Cb -0.22 -0.78 -0.04 0.00 -1.58 0.00 0.00 42.46 39.85 2cqa s ILE 23 CO 0.27 0.29 0.46 -0.62 -1.23 0.00 0.00 174.94 174.11 2cqa s ASP 24 N 0.96 6.53 0.24 3.58 2.15 0.14 -4.98 116.67 125.30 2cqa s ASP 24 Ca -0.10 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.39 2cqa s ASP 24 Cb -0.15 -2.27 -0.08 0.00 -0.30 0.00 0.00 42.92 40.13 2cqa s ASP 24 CO 0.00 -0.11 0.61 -0.13 -0.17 0.00 0.00 175.17 175.38 2cqa s ARG 25 N 1.33 3.91 -0.87 4.34 3.00 -1.26 -4.24 118.95 125.16 2cqa s ARG 25 Ca 0.22 0.45 -0.25 0.00 0.00 0.00 0.00 55.73 56.15 2cqa s ARG 25 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 34.95 32.11 2cqa s ARG 25 CO 0.09 0.30 1.94 -1.25 0.00 0.00 0.00 175.30 176.38 2cqa s PRO 26 N -2.69 2.57 -0.03 3.54 0.04 -1.26 -4.60 135.00 132.56 2cqa s PRO 26 Ca 0.48 -0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 2cqa s PRO 26 Cb -0.12 -4.98 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 2cqa s PRO 26 CO 0.20 -3.30 -0.04 0.00 0.04 0.00 0.00 177.00 173.90 2cqa n ALA 27 N 13.82 2.49 -1.23 8.56 0.00 -1.26 -4.56 120.51 138.33 2cqa n ALA 27 Ca 0.38 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 2cqa n ALA 27 Cb 0.48 0.45 0.09 0.00 0.00 0.00 0.00 19.45 20.47 2cqa n ALA 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2cqa n THR 28 N -2.96 3.43 0.00 0.00 -1.04 -1.26 -4.75 114.28 107.70 2cqa n THR 28 Ca -0.06 -2.57 0.00 0.00 -2.04 0.00 0.00 64.05 59.38 2cqa n THR 28 Cb 0.55 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2cqa n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cqa n GLY 29 N -0.82 0.92 3.68 3.41 0.00 -1.26 -5.08 105.19 106.05 2cqa n GLY 29 Ca 0.58 -0.25 -0.50 0.00 0.00 0.00 0.00 46.02 45.85 2cqa n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cqa n THR 30 N 0.00 0.49 0.00 2.61 -1.04 -1.26 -4.70 114.28 110.38 2cqa n THR 30 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2cqa n THR 30 Cb 0.00 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 2cqa n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cqa n GLY 31 N 4.28 -0.69 3.60 3.41 0.00 -1.26 -5.10 105.19 109.44 2cqa n GLY 31 Ca 0.23 -0.13 -0.59 0.00 0.00 0.00 0.00 46.02 45.52 2cqa n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqa n SER 32 N 0.00 1.85 -4.83 1.61 2.88 -1.26 -4.91 113.62 108.96 2cqa n SER 32 Ca 0.00 0.93 -0.34 0.00 -1.33 0.00 0.00 58.87 58.13 2cqa n SER 32 Cb 0.00 -1.07 -0.06 0.00 -0.75 0.00 0.00 64.21 62.33 2cqa n SER 32 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cqa s LYS 33 N 4.27 4.15 0.01 -1.46 1.02 -1.26 -5.03 119.74 121.44 2cqa s LYS 33 Ca 1.05 0.80 0.03 0.00 0.02 0.00 0.00 55.97 57.87 2cqa s LYS 33 Cb -1.19 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 2cqa s LYS 33 CO 0.67 0.26 -0.09 0.14 -0.92 0.00 0.00 175.35 175.41 2cqa s VAL 34 N -1.77 0.68 0.28 3.17 -7.23 -1.26 -3.60 120.40 110.68 2cqa s VAL 34 Ca 0.49 -0.59 -0.18 0.00 -1.81 0.00 0.00 61.98 59.89 2cqa s VAL 34 Cb -0.13 -0.62 0.02 0.00 0.56 0.00 0.00 36.38 36.20 2cqa s VAL 34 CO 0.19 0.04 0.66 -0.83 -0.31 0.00 0.00 175.10 174.85 2cqa s GLY 35 N -0.62 0.13 0.21 2.32 0.00 -1.23 0.28 107.32 108.41 2cqa s GLY 35 Ca 0.00 -0.50 0.09 0.00 0.00 0.00 0.00 44.72 44.31 2cqa s GLY 35 CO 0.00 -0.25 -0.17 0.54 0.00 0.00 0.00 173.10 173.22 2cqa s LYS 36 N -3.81 1.39 -0.04 2.90 1.02 0.15 -2.10 119.74 119.25 2cqa s LYS 36 Ca 0.14 -1.56 -0.01 0.00 0.02 0.00 0.00 55.97 54.56 2cqa s LYS 36 Cb -0.05 -1.35 0.03 0.00 -0.52 0.00 0.00 37.83 35.95 2cqa s LYS 36 CO 0.08 0.25 0.08 -1.17 -0.92 0.00 0.00 175.35 173.67 2cqa s LEU 37 N -3.11 0.86 -0.20 3.17 2.96 -0.89 0.28 118.68 121.75 2cqa s LEU 37 Ca 0.22 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2cqa s LEU 37 Cb -0.04 0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.76 2cqa s LEU 37 CO 0.09 -0.15 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.99 2cqa s THR 38 N 1.19 3.08 -0.13 3.68 2.01 0.72 -0.06 115.64 126.13 2cqa s THR 38 Ca -0.08 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.32 2cqa s THR 38 Cb -0.12 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2cqa s THR 38 CO -0.04 0.46 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.45 2cqa s LEU 39 N 1.26 2.68 -0.61 4.42 1.02 -0.76 0.13 118.68 126.81 2cqa s LEU 39 Ca 0.03 -0.34 -0.22 0.00 0.02 0.00 0.00 54.13 53.62 2cqa s LEU 39 Cb -0.14 -1.60 0.07 0.00 0.02 0.00 0.00 46.19 44.54 2cqa s LEU 39 CO -0.04 0.16 0.87 -0.75 0.02 0.00 0.00 176.35 176.62 2cqa s LYS 40 N 0.35 3.13 0.53 1.70 2.20 -0.60 -2.40 119.74 124.65 2cqa s LYS 40 Ca -0.11 -0.85 0.03 0.00 -0.36 0.00 0.00 55.97 54.68 2cqa s LYS 40 Cb -0.16 -4.19 0.03 0.00 -1.51 0.00 0.00 37.83 32.00 2cqa s LYS 40 CO 0.06 -1.64 0.73 0.95 -0.36 0.00 0.00 175.35 175.09 2cqa s THR 41 N 3.61 2.72 -0.40 3.43 -4.23 0.47 -3.68 115.64 117.57 2cqa s THR 41 Ca 0.20 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.69 2cqa s THR 41 Cb -0.18 -2.99 -0.13 0.00 1.34 0.00 0.00 72.50 70.54 2cqa s THR 41 CO 0.11 0.00 1.52 0.41 -0.54 0.00 0.00 174.62 176.11 2cqa n THR 42 N -2.25 0.00 -3.66 3.99 -1.04 -1.26 0.72 114.28 110.79 2cqa n THR 42 Ca 0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.85 2cqa n THR 42 Cb 0.60 -0.34 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 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 5.20 -0.90 -3.64 -2.82 1.02 -1.26 -4.84 120.64 113.40 2cqa n GLU 43 Ca 0.39 0.07 -0.06 0.00 -0.02 0.00 0.00 57.16 57.54 2cqa n GLU 43 Cb -0.02 -2.69 -0.07 0.00 -0.02 0.00 0.00 31.44 28.64 2cqa n GLU 43 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2cqa s MET 44 N -5.66 0.47 0.11 3.49 0.00 0.22 -5.17 119.30 112.75 2cqa s MET 44 Ca 0.21 0.70 0.08 0.00 0.00 0.00 0.00 55.69 56.68 2cqa s MET 44 Cb -0.12 0.15 -0.04 0.00 0.00 0.00 0.00 34.83 34.82 2cqa s MET 44 CO 0.68 -0.08 -0.14 -2.00 0.00 0.00 0.00 175.02 173.48 2cqa s GLU 45 N 0.94 1.96 -0.06 4.11 2.12 -1.26 0.18 118.70 126.69 2cqa s GLU 45 Ca -0.04 -1.10 -0.12 0.00 0.36 0.00 0.00 54.97 54.07 2cqa s GLU 45 Cb -0.04 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.16 2cqa s GLU 45 CO -0.12 0.49 0.29 0.99 -0.54 0.00 0.00 175.26 176.38 2cqa s THR 46 N -1.18 0.04 -0.23 -1.70 2.01 -1.01 -4.95 115.64 108.62 2cqa s THR 46 Ca 0.20 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 2cqa s THR 46 Cb -0.11 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2cqa s THR 46 CO 0.12 -0.16 0.02 -0.63 -0.69 0.00 0.00 174.62 173.28 2cqa s ILE 47 N -0.69 3.98 -0.05 1.82 1.09 -1.26 -1.83 121.20 124.26 2cqa s ILE 47 Ca -0.08 -0.29 -0.06 0.00 -1.10 0.00 0.00 60.65 59.12 2cqa s ILE 47 Cb -0.04 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.48 2cqa s ILE 47 CO 0.02 0.39 0.20 -0.31 -0.10 0.00 0.00 174.94 175.14 2cqa s TYR 48 N 1.40 3.58 -0.05 3.97 1.51 0.91 -4.95 117.35 123.72 2cqa s TYR 48 Ca 0.05 0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 56.42 2cqa s TYR 48 Cb -0.15 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 2cqa s TYR 48 CO 0.01 0.67 0.55 -0.51 -1.11 0.00 0.00 175.55 175.17 2cqa s ASP 49 N -1.50 6.86 -0.03 2.29 1.01 -1.26 -2.10 116.67 121.94 2cqa s ASP 49 Ca 0.23 1.03 0.03 0.00 0.71 0.00 0.00 52.55 54.55 2cqa s ASP 49 Cb -0.13 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2cqa s ASP 49 CO 0.12 0.07 -0.11 -0.76 0.21 0.00 0.00 175.17 174.70 2cqa s LEU 50 N 0.10 2.92 0.00 1.23 1.43 -0.89 -4.99 118.68 118.47 2cqa s LEU 50 Ca 0.29 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2cqa s LEU 50 Cb -0.17 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2cqa s LEU 50 CO 0.15 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.66 2cqa n GLY 51 N 2.05 0.49 0.00 -3.19 0.00 -1.26 -3.55 105.19 99.73 2cqa n GLY 51 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 0.02 -0.03 2.61 -1.04 -1.24 -4.06 114.28 110.55 2cqa n THR 52 Ca 0.00 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.66 2cqa n THR 52 Cb 0.00 0.30 -0.13 0.00 -1.82 0.00 0.00 70.33 68.68 2cqa n THR 52 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2cqa n LYS 53 N -1.73 0.72 0.11 -2.82 4.01 -1.26 -3.59 118.16 113.60 2cqa n LYS 53 Ca -0.01 0.28 0.07 0.00 -0.51 0.00 0.00 58.31 58.14 2cqa n LYS 53 Cb 0.18 -1.68 0.54 0.00 -0.51 0.00 0.00 35.03 33.56 2cqa n LYS 53 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 2cqa h MET 54 N -0.09 0.26 -0.06 1.97 2.86 -1.84 -2.12 114.93 115.91 2cqa h MET 54 Ca -0.44 -0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 56.93 2cqa h MET 54 Cb 1.92 -0.06 0.02 0.00 0.06 0.00 0.00 31.60 33.54 2cqa h MET 54 CO 0.02 0.17 -0.95 0.82 1.06 0.00 0.00 176.91 178.03 2cqa h ILE 55 N 0.27 1.28 -0.43 -1.22 2.04 -1.79 -3.13 117.51 114.52 2cqa h ILE 55 Ca 0.10 -2.14 0.12 0.00 1.00 0.00 0.00 64.86 63.94 2cqa h ILE 55 Cb 0.06 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2cqa h ILE 55 CO -0.02 0.67 0.43 -0.33 0.00 0.00 0.00 178.15 178.90 2cqa h GLU 56 N 0.45 0.00 0.03 2.37 4.39 -1.44 -2.10 114.58 118.29 2cqa h GLU 56 Ca -0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2cqa h GLU 56 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2cqa h GLU 56 CO 0.19 0.00 -0.01 1.03 -1.16 0.00 0.00 179.01 179.06 2cqa h SER 57 N 0.00 -0.03 0.00 1.42 0.87 -1.49 -2.60 113.55 111.72 2cqa h SER 57 Ca 0.20 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2cqa h SER 57 Cb 1.06 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2cqa h SER 57 CO -0.00 0.61 0.36 -0.07 -0.53 0.00 0.00 176.83 177.20 2cqa h LEU 58 N -1.00 0.00 0.10 2.23 3.38 -1.37 0.19 115.31 118.84 2cqa h LEU 58 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2cqa h LEU 58 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2cqa h LEU 58 CO 0.01 0.00 -2.10 0.35 0.09 0.00 0.00 178.44 176.78 2cqa n THR 59 N -2.38 1.72 0.29 0.22 -2.24 -0.87 -1.47 114.28 109.56 2cqa n THR 59 Ca -0.01 -0.64 0.18 0.00 -2.27 0.00 0.00 64.05 61.31 2cqa n THR 59 Cb 0.38 -1.66 0.81 0.00 -2.10 0.00 0.00 70.33 67.76 2cqa n THR 59 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2cqa h LYS 60 N 0.06 0.00 0.00 -0.78 3.11 -0.25 -2.60 116.57 116.11 2cqa h LYS 60 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2cqa h LYS 60 Cb 2.01 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.24 2cqa h LYS 60 CO 0.05 0.02 -0.96 -0.40 -2.81 0.00 0.00 179.45 175.34 2cqa n ASP 61 N -3.13 1.06 -2.16 4.20 5.68 -0.59 -5.00 116.55 116.62 2cqa n ASP 61 Ca -0.00 -0.53 -0.17 0.00 -0.50 0.00 0.00 54.79 53.58 2cqa n ASP 61 Cb 0.25 1.21 0.01 0.00 -1.14 0.00 0.00 41.12 41.46 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2cqa n LYS 62 N -1.54 -2.80 -1.61 0.11 4.76 -0.93 -4.93 118.16 111.23 2cqa n LYS 62 Ca 0.01 0.73 -0.43 0.00 -2.87 0.00 0.00 58.31 55.75 2cqa n LYS 62 Cb 0.26 -5.15 -0.00 0.00 -1.84 0.00 0.00 35.03 28.29 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2cqa n VAL 63 N -4.14 2.16 -4.14 -0.18 0.31 -0.54 -5.00 118.33 106.79 2cqa n VAL 63 Ca -0.13 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 2cqa n VAL 63 Cb 0.61 -1.13 -0.10 0.00 -0.91 0.00 0.00 33.84 32.31 2cqa n VAL 63 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2cqa s GLN 64 N -1.79 0.78 0.33 5.55 -1.52 -1.26 -4.95 119.66 116.79 2cqa s GLN 64 Ca 0.60 -1.32 -0.29 0.00 -1.95 0.00 0.00 55.36 52.40 2cqa s GLN 64 Cb -0.62 0.03 -0.12 0.00 -0.22 0.00 0.00 33.01 32.08 2cqa s GLN 64 CO 0.59 -0.10 1.41 0.00 -0.25 0.00 0.00 175.29 176.93 2cqa n ALA 65 N -0.01 1.74 0.00 6.09 0.00 -1.26 -2.80 120.51 124.27 2cqa n ALA 65 Ca -0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2cqa n ALA 65 Cb 0.62 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2cqa n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqa n GLY 66 N 1.15 2.65 3.94 0.00 0.00 0.99 -5.01 105.19 108.91 2cqa n GLY 66 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2cqa n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cqa s ASP 67 N -1.30 5.52 -0.39 1.61 -1.08 -1.12 -4.77 116.67 115.13 2cqa s ASP 67 Ca 0.00 0.37 -0.06 0.00 -0.52 0.00 0.00 52.55 52.34 2cqa s ASP 67 Cb 0.00 -1.39 0.08 0.00 -1.46 0.00 0.00 42.92 40.15 2cqa s ASP 67 CO 0.00 -1.01 0.19 -0.69 0.52 0.00 0.00 175.17 174.18 2cqa s VAL 68 N -2.81 3.75 0.01 1.11 1.01 -1.26 -0.15 120.40 122.06 2cqa s VAL 68 Ca 0.53 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2cqa s VAL 68 Cb -0.10 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2cqa s VAL 68 CO 0.41 -0.47 -0.12 0.27 0.00 0.00 0.00 175.10 175.19 2cqa s ILE 69 N 1.32 3.21 0.57 2.22 -5.25 -1.16 -1.66 121.20 120.45 2cqa s ILE 69 Ca 0.03 -0.95 0.03 0.00 -0.99 0.00 0.00 60.65 58.77 2cqa s ILE 69 Cb -0.22 -2.36 0.06 0.00 2.95 0.00 0.00 42.46 42.89 2cqa s ILE 69 CO -0.00 0.39 0.80 0.42 -1.79 0.00 0.00 174.94 174.76 2cqa s THR 70 N -0.94 2.52 -0.21 8.37 -4.23 -0.15 -3.11 115.64 117.89 2cqa s THR 70 Ca 0.15 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 2cqa s THR 70 Cb -0.11 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.05 2cqa s THR 70 CO 0.06 0.00 0.19 -0.63 -0.54 0.00 0.00 174.62 173.70 2cqa s ILE 71 N -2.77 -0.26 -0.51 2.99 1.01 -0.31 -3.38 121.20 117.97 2cqa s ILE 71 Ca 0.60 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.80 2cqa s ILE 71 Cb -0.08 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.71 2cqa s ILE 71 CO 0.39 -0.30 0.76 -1.81 0.00 0.00 0.00 174.94 173.98 2cqa s ASP 72 N 2.27 6.30 0.18 3.58 1.11 0.31 -1.47 116.67 128.95 2cqa s ASP 72 Ca 0.06 -0.54 -0.08 0.00 0.18 0.00 0.00 52.55 52.18 2cqa s ASP 72 Cb -0.16 -2.36 0.08 0.00 1.07 0.00 0.00 42.92 41.56 2cqa s ASP 72 CO -0.16 -1.01 1.59 0.11 1.18 0.00 0.00 175.17 176.88 2cqa h LYS 73 N 9.10 0.91 -0.88 8.23 1.57 -0.58 1.32 116.57 136.23 2cqa h LYS 73 Ca -0.26 -0.38 0.08 0.00 -1.87 0.00 0.00 60.65 58.22 2cqa h LYS 73 Cb 1.09 -0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.25 2cqa h LYS 73 CO 1.00 1.03 -0.52 0.00 -0.57 0.00 0.00 179.45 180.39 2cqa n ALA 74 N -2.51 -0.56 0.02 3.86 0.00 -1.22 -2.44 120.51 117.66 2cqa n ALA 74 Ca 0.00 0.75 0.09 0.00 0.00 0.00 0.00 53.44 54.28 2cqa n ALA 74 Cb 0.45 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 2cqa n ALA 74 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2cqa n THR 75 N -5.05 0.00 -1.57 0.00 5.66 -1.23 -5.01 114.28 107.08 2cqa n THR 75 Ca 0.02 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2cqa n THR 75 Cb 0.23 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2cqa n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqa n GLY 76 N 1.51 0.81 3.87 1.09 0.00 0.45 -5.08 105.19 107.84 2cqa n GLY 76 Ca -0.03 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.34 3.12 -0.02 1.61 -0.14 -0.74 -4.48 119.74 115.75 2cqa s LYS 77 Ca 0.00 -0.87 0.06 0.00 -1.36 0.00 0.00 55.97 53.79 2cqa s LYS 77 Cb 0.00 -2.72 -0.01 0.00 -1.68 0.00 0.00 37.83 33.42 2cqa s LYS 77 CO 0.00 0.44 -0.19 0.42 -0.76 0.00 0.00 175.35 175.26 2cqa s ILE 78 N -1.95 1.56 0.12 2.17 1.01 -1.26 -0.53 121.20 122.32 2cqa s ILE 78 Ca 0.33 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.21 2cqa s ILE 78 Cb -0.09 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2cqa s ILE 78 CO 0.26 0.44 -0.15 -0.55 0.00 0.00 0.00 174.94 174.94 2cqa s SER 79 N -0.33 2.11 -0.11 3.58 0.15 -1.22 -4.91 113.70 112.98 2cqa s SER 79 Ca 0.04 -0.78 -0.06 0.00 0.70 0.00 0.00 55.95 55.85 2cqa s SER 79 Cb -0.09 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2cqa s SER 79 CO 0.00 -0.10 0.12 -0.75 1.20 0.00 0.00 173.24 173.71 2cqa s LYS 80 N -2.51 3.36 0.06 5.44 2.20 -1.26 -0.98 119.74 126.05 2cqa s LYS 80 Ca 0.08 -0.18 0.08 0.00 -0.36 0.00 0.00 55.97 55.60 2cqa s LYS 80 Cb -0.06 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2cqa s LYS 80 CO 0.04 0.77 -0.23 -0.51 -0.36 0.00 0.00 175.35 175.05 2cqa s LEU 81 N -1.03 2.20 0.99 5.43 1.43 -0.67 -4.97 118.68 122.07 2cqa s LEU 81 Ca 0.15 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2cqa s LEU 81 Cb -0.12 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.02 2cqa s LEU 81 CO 0.04 0.17 -0.55 0.61 0.23 0.00 0.00 176.35 176.86 2cqa n GLY 82 N 1.63 -2.53 3.69 -3.19 0.00 -1.26 -4.26 105.19 99.27 2cqa n GLY 82 Ca -0.17 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2cqa n GLY 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cqa n ARG 83 N 0.18 2.59 -3.61 1.61 3.00 -1.26 -4.64 116.66 114.54 2cqa n ARG 83 Ca 0.00 0.94 -0.28 0.00 -0.00 0.00 0.00 57.85 58.51 2cqa n ARG 83 Cb 0.56 -2.79 -0.12 0.00 0.00 0.00 0.00 32.46 30.11 2cqa n ARG 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cqa s SER 84 N 2.15 3.05 0.44 6.15 0.15 -1.26 -5.09 113.70 119.28 2cqa s SER 84 Ca 0.81 -2.91 -0.22 0.00 0.70 0.00 0.00 55.95 54.33 2cqa s SER 84 Cb -0.55 -0.85 -0.11 0.00 -1.71 0.00 0.00 66.02 62.80 2cqa s SER 84 CO 0.38 -0.21 0.71 2.22 1.20 0.00 0.00 173.24 177.54 2cqa n PHE 85 N 3.13 0.08 -1.82 3.44 1.16 -1.26 -4.96 117.46 117.22 2cqa n PHE 85 Ca 0.18 0.57 -0.29 0.00 -1.87 0.00 0.00 57.45 56.04 2cqa n PHE 85 Cb 0.39 -2.07 0.13 0.00 -1.61 0.00 0.00 39.48 36.33 2cqa n PHE 85 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2cqa s THR 86 N -1.43 1.98 -0.56 1.97 -4.23 -1.26 -4.99 115.64 107.13 2cqa s THR 86 Ca 0.64 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.92 2cqa s THR 86 Cb -0.57 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.37 2cqa s THR 86 CO 0.57 0.00 0.93 -0.60 -0.54 0.00 0.00 174.62 174.98 2cqa s ARG 87 N -5.62 3.31 -0.74 3.99 6.06 -1.26 -4.99 118.95 119.70 2cqa s ARG 87 Ca 0.66 -0.31 -0.25 0.00 -2.50 0.00 0.00 55.73 53.33 2cqa s ARG 87 Cb -0.09 -4.06 0.05 0.00 0.06 0.00 0.00 34.95 30.90 2cqa s ARG 87 CO 0.51 -1.50 1.19 0.00 -2.50 0.00 0.00 175.30 173.01 2cqa s ALA 88 N 3.91 2.87 0.47 6.12 0.00 -1.26 -4.99 121.76 128.89 2cqa s ALA 88 Ca 0.29 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.69 2cqa s ALA 88 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 2cqa s ALA 88 CO 0.18 -3.15 0.12 1.03 0.00 0.00 0.00 175.76 173.94 2cqa s ARG 89 N 5.10 2.16 -0.14 0.00 1.81 -1.26 -5.13 118.95 121.49 2cqa s ARG 89 Ca 0.32 -2.14 -0.09 0.00 -1.72 0.00 0.00 55.73 52.10 2cqa s ARG 89 Cb -0.10 -1.76 -0.04 0.00 -0.45 0.00 0.00 34.95 32.59 2cqa s ARG 89 CO 0.11 -0.28 0.16 -1.54 -0.68 0.00 0.00 175.30 173.07 2cqa s SER 90 N -3.92 6.37 0.00 0.23 1.04 -1.26 -4.94 113.70 111.22 2cqa s SER 90 Ca 0.25 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2cqa s SER 90 Cb 0.03 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2cqa s SER 90 CO 0.14 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.29 2cqa n GLY 91 N 2.50 -1.23 0.17 7.32 0.00 -1.26 -4.98 105.19 107.70 2cqa n GLY 91 Ca -0.18 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2cqa n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa h PRO 92 N 0.00 0.04 -5.93 1.61 0.13 -2.07 -3.43 132.00 122.35 2cqa h PRO 92 Ca 0.00 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 2cqa h PRO 92 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2cqa h PRO 92 CO 0.00 0.52 -0.59 -1.12 -0.23 0.00 0.00 178.00 176.58 2cqa s SER 93 N -6.89 5.48 0.12 1.44 0.01 -1.26 -5.02 113.70 107.58 2cqa s SER 93 Ca -0.02 0.19 -0.19 0.00 1.31 0.00 0.00 55.95 57.24 2cqa s SER 93 Cb 0.13 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.73 2cqa s SER 93 CO 0.75 0.37 1.76 0.28 0.41 0.00 0.00 173.24 176.80 2cqa h SER 94 N 4.98 0.31 0.00 2.44 0.02 -1.99 -3.46 113.55 115.85 2cqa h SER 94 Ca -0.51 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2cqa h SER 94 Cb 1.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2cqa h SER 94 CO 0.56 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 177.12