#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa n SER 2 N 0.00 -1.04 -4.07 1.61 3.41 -1.26 -4.87 113.62 107.40 2cqa n SER 2 Ca 0.00 -1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 57.18 2cqa n SER 2 Cb 0.00 -1.41 -0.15 0.00 -0.26 0.00 0.00 64.21 62.40 2cqa n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqa s SER 3 N -3.27 4.68 -0.08 4.04 0.15 -1.26 -5.08 113.70 112.88 2cqa s SER 3 Ca 0.57 -1.71 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 2cqa s SER 3 Cb -0.33 -1.62 0.05 0.00 -1.71 0.00 0.00 66.02 62.41 2cqa s SER 3 CO 0.90 -0.29 0.16 -0.83 1.20 0.00 0.00 173.24 174.38 2cqa s GLY 4 N 1.10 0.04 -0.29 9.45 0.00 -1.26 -5.02 107.32 111.33 2cqa s GLY 4 Ca 0.00 0.57 0.17 0.00 0.00 0.00 0.00 44.72 45.46 2cqa s GLY 4 CO -0.06 1.66 1.09 -1.26 0.00 0.00 0.00 173.10 174.54 2cqa n SER 5 N 5.30 2.54 -0.06 1.64 2.88 -1.26 -4.86 113.62 119.80 2cqa n SER 5 Ca -0.05 -2.68 -0.10 0.00 -1.33 0.00 0.00 58.87 54.70 2cqa n SER 5 Cb 0.50 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 2cqa n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cqa n SER 6 N -0.50 1.49 0.00 -3.46 7.64 -1.26 -5.07 113.62 112.45 2cqa n SER 6 Ca 0.18 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2cqa n SER 6 Cb 0.83 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 2.11 0.85 3.40 0.23 0.00 -1.26 -5.08 105.19 105.44 2cqa n GLY 7 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 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 3.88 -0.08 1.61 3.01 -1.26 -4.96 119.74 121.95 2cqa s LYS 8 Ca 0.00 -2.48 -0.02 0.00 -1.01 0.00 0.00 55.97 52.46 2cqa s LYS 8 Cb 0.00 -4.78 0.03 0.00 -1.01 0.00 0.00 37.83 32.07 2cqa s LYS 8 CO 0.00 -1.55 0.03 -2.00 0.51 0.00 0.00 175.35 172.34 2cqa s GLU 9 N 0.95 0.36 0.21 1.68 2.12 -1.26 -5.13 118.70 117.63 2cqa s GLU 9 Ca 0.32 0.14 -0.23 0.00 0.36 0.00 0.00 54.97 55.57 2cqa s GLU 9 Cb -0.06 -0.96 0.04 0.00 0.26 0.00 0.00 34.13 33.41 2cqa s GLU 9 CO -0.06 -0.36 0.79 -1.83 -0.54 0.00 0.00 175.26 173.26 2cqa s GLU 10 N 2.04 1.50 0.07 4.30 1.03 -1.26 -5.04 118.70 121.34 2cqa s GLU 10 Ca 0.04 -0.80 0.23 0.00 0.03 0.00 0.00 54.97 54.48 2cqa s GLU 10 Cb -0.13 0.53 0.16 0.00 -0.80 0.00 0.00 34.13 33.89 2cqa s GLU 10 CO -0.05 -0.69 1.13 0.25 -1.33 0.00 0.00 175.26 174.58 2cqa n THR 11 N -0.45 0.23 -2.97 1.83 -2.24 -1.26 -4.96 114.28 104.46 2cqa n THR 11 Ca -0.06 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 2cqa n THR 11 Cb 0.60 0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.00 -4.51 -3.80 -0.78 1.02 -1.26 -4.82 120.64 104.49 2cqa n GLU 12 Ca 0.02 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 57.80 2cqa n GLU 12 Cb 0.44 -5.33 -0.12 0.00 -0.02 0.00 0.00 31.44 26.40 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 -3.11 -0.00 -0.05 -3.67 1.01 -1.26 0.28 121.20 114.40 2cqa s ILE 13 Ca 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 2cqa s ILE 13 Cb -0.13 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.11 2cqa s ILE 13 CO 0.36 0.01 -0.00 -0.63 0.00 0.00 0.00 174.94 174.67 2cqa s ILE 14 N 0.19 0.30 0.01 2.92 1.01 -1.00 -4.97 121.20 119.67 2cqa s ILE 14 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.77 2cqa s ILE 14 Cb -0.02 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 2cqa s ILE 14 CO -0.00 0.21 -0.13 -0.70 0.00 0.00 0.00 174.94 174.31 2cqa s GLU 15 N 1.42 2.31 0.11 2.79 -6.30 -1.26 -1.45 118.70 116.31 2cqa s GLU 15 Ca -0.04 -0.85 -0.26 0.00 -2.50 0.00 0.00 54.97 51.33 2cqa s GLU 15 Cb -0.13 -2.33 0.07 0.00 0.00 0.00 0.00 34.13 31.75 2cqa s GLU 15 CO -0.03 0.57 0.85 0.20 0.02 0.00 0.00 175.26 176.88 2cqa s GLY 16 N -1.33 -0.37 -0.28 -1.50 0.00 -1.21 -4.97 107.32 97.65 2cqa s GLY 16 Ca 0.15 0.48 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 2cqa s GLY 16 CO 0.05 0.15 1.01 1.85 0.00 0.00 0.00 173.10 176.16 2cqa s GLU 17 N -3.37 4.13 0.11 2.90 2.12 -1.25 -2.94 118.70 120.41 2cqa s GLU 17 Ca 0.07 1.11 -0.31 0.00 0.36 0.00 0.00 54.97 56.21 2cqa s GLU 17 Cb -0.02 -3.69 -0.10 0.00 0.26 0.00 0.00 34.13 30.58 2cqa s GLU 17 CO -0.04 -0.75 1.86 0.08 -0.54 0.00 0.00 175.26 175.87 2cqa s VAL 18 N 3.36 2.57 -0.11 3.70 1.01 -1.00 -0.89 120.40 129.04 2cqa s VAL 18 Ca 0.43 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 2cqa s VAL 18 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2cqa s VAL 18 CO 0.11 -0.00 -0.14 0.52 0.00 0.00 0.00 175.10 175.59 2cqa n VAL 19 N 4.87 0.61 -3.86 2.92 0.31 0.52 -0.58 118.33 123.12 2cqa n VAL 19 Ca 0.18 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 2cqa n VAL 19 Cb 0.38 -1.65 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.20 0.16 -0.33 5.55 2.12 -1.13 -4.79 118.70 118.07 2cqa s GLU 20 Ca -0.16 -0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 2cqa s GLU 20 Cb 0.06 0.07 0.11 0.00 0.26 0.00 0.00 34.13 34.63 2cqa s GLU 20 CO 0.20 -0.03 0.14 0.42 -0.54 0.00 0.00 175.26 175.45 2cqa s ILE 21 N -0.28 0.70 0.18 -3.70 1.01 -1.26 -0.62 121.20 117.22 2cqa s ILE 21 Ca -0.03 -1.52 -0.28 0.00 0.00 0.00 0.00 60.65 58.81 2cqa s ILE 21 Cb -0.02 -1.53 -0.08 0.00 0.01 0.00 0.00 42.46 40.84 2cqa s ILE 21 CO 0.00 -0.76 0.89 -1.10 0.00 0.00 0.00 174.94 173.97 2cqa s GLN 22 N 1.42 4.73 -0.13 2.79 -0.21 0.30 -4.88 119.66 123.69 2cqa s GLN 22 Ca 0.12 1.37 -0.03 0.00 0.02 0.00 0.00 55.36 56.84 2cqa s GLN 22 Cb -0.19 -3.30 0.05 0.00 1.00 0.00 0.00 33.01 30.56 2cqa s GLN 22 CO -0.20 0.45 0.06 0.42 -2.12 0.00 0.00 175.29 173.90 2cqa s ILE 23 N -0.83 0.09 0.06 1.08 -1.09 -1.26 0.14 121.20 119.39 2cqa s ILE 23 Ca 0.41 -0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.49 2cqa s ILE 23 Cb -0.24 -0.54 -0.06 0.00 -1.58 0.00 0.00 42.46 40.04 2cqa s ILE 23 CO 0.29 -0.06 1.28 -0.62 -1.23 0.00 0.00 174.94 174.60 2cqa s ASP 24 N 2.07 6.98 0.02 3.58 2.15 -0.37 -5.01 116.67 126.09 2cqa s ASP 24 Ca 0.03 2.09 0.00 0.00 0.43 0.00 0.00 52.55 55.10 2cqa s ASP 24 Cb -0.15 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 2cqa s ASP 24 CO -0.07 -0.56 0.11 -0.13 -0.17 0.00 0.00 175.17 174.36 2cqa s ARG 25 N 1.36 3.13 0.17 4.34 0.52 -1.26 -4.60 118.95 122.61 2cqa s ARG 25 Ca 0.61 -0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 2cqa s ARG 25 Cb -0.31 -2.89 -0.08 0.00 0.52 0.00 0.00 34.95 32.19 2cqa s ARG 25 CO 0.28 0.63 1.32 -1.25 0.02 0.00 0.00 175.30 176.30 2cqa s PRO 26 N -2.03 4.38 0.18 3.54 0.04 -1.26 -4.91 135.00 134.94 2cqa s PRO 26 Ca 0.27 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2cqa s PRO 26 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2cqa s PRO 26 CO 0.19 -0.29 0.00 0.00 0.04 0.00 0.00 177.00 176.93 2cqa n ALA 27 N 3.01 3.00 -0.08 8.56 0.00 -1.26 -4.98 120.51 128.77 2cqa n ALA 27 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 2cqa n ALA 27 Cb 0.43 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 2cqa n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2cqa n THR 28 N -3.41 0.86 0.00 0.00 5.66 -1.26 -5.09 114.28 111.03 2cqa n THR 28 Ca 0.00 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2cqa n THR 28 Cb 0.03 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 2cqa n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqa n GLY 29 N 2.64 2.88 0.81 1.09 0.00 -1.26 -5.11 105.19 106.25 2cqa n GLY 29 Ca -0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqa n THR 30 N 0.00 1.21 0.00 2.61 -2.24 -1.26 -5.11 114.28 109.49 2cqa n THR 30 Ca 0.00 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2cqa n THR 30 Cb 0.00 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 2cqa n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 31 N 2.96 1.71 3.73 3.38 0.00 -1.26 -5.10 105.19 110.62 2cqa n GLY 31 Ca -0.04 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.24 5.28 0.28 1.61 0.01 -1.26 -5.10 113.70 112.29 2cqa s SER 32 Ca 0.00 -0.08 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 2cqa s SER 32 Cb 0.00 -1.35 -0.09 0.00 0.21 0.00 0.00 66.02 64.78 2cqa s SER 32 CO 0.00 0.18 1.08 -0.75 0.41 0.00 0.00 173.24 174.17 2cqa s LYS 33 N -2.27 4.64 0.02 12.44 2.20 -1.26 -5.02 119.74 130.49 2cqa s LYS 33 Ca 0.27 1.77 0.02 0.00 -0.36 0.00 0.00 55.97 57.67 2cqa s LYS 33 Cb -0.12 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 2cqa s LYS 33 CO 0.19 0.23 -0.07 0.14 -0.36 0.00 0.00 175.35 175.48 2cqa s VAL 34 N -1.18 0.54 0.11 4.02 -7.23 -1.25 -3.42 120.40 111.99 2cqa s VAL 34 Ca 0.45 -0.74 -0.20 0.00 -1.81 0.00 0.00 61.98 59.67 2cqa s VAL 34 Cb -0.31 -0.54 0.05 0.00 0.56 0.00 0.00 36.38 36.14 2cqa s VAL 34 CO 0.40 -0.15 0.51 -0.83 -0.31 0.00 0.00 175.10 174.71 2cqa s GLY 35 N -0.97 -0.44 0.11 2.32 0.00 -1.02 -1.24 107.32 106.08 2cqa s GLY 35 Ca -0.04 0.34 0.10 0.00 0.00 0.00 0.00 44.72 45.12 2cqa s GLY 35 CO 0.00 0.05 -0.25 1.25 0.00 0.00 0.00 173.10 174.15 2cqa s LYS 36 N -3.35 1.56 -0.02 2.90 2.47 0.12 -1.29 119.74 122.15 2cqa s LYS 36 Ca -0.00 -1.26 0.01 0.00 -1.56 0.00 0.00 55.97 53.15 2cqa s LYS 36 Cb 0.00 -1.96 0.01 0.00 -1.46 0.00 0.00 37.83 34.42 2cqa s LYS 36 CO -0.09 0.47 -0.02 -1.17 0.16 0.00 0.00 175.35 174.70 2cqa s LEU 37 N -1.89 1.62 -0.14 5.43 2.96 -0.82 0.11 118.68 125.95 2cqa s LEU 37 Ca 0.14 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2cqa s LEU 37 Cb -0.10 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.42 2cqa s LEU 37 CO 0.06 -0.03 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.99 2cqa s THR 38 N 0.43 1.80 -0.10 3.68 2.01 0.21 -0.27 115.64 123.41 2cqa s THR 38 Ca -0.04 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.16 2cqa s THR 38 Cb -0.07 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 2cqa s THR 38 CO -0.01 0.50 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.53 2cqa s LEU 39 N 1.06 2.77 -0.64 4.42 1.02 -0.64 -0.35 118.68 126.32 2cqa s LEU 39 Ca -0.03 -0.25 -0.22 0.00 0.02 0.00 0.00 54.13 53.65 2cqa s LEU 39 Cb -0.14 -1.60 0.08 0.00 0.02 0.00 0.00 46.19 44.54 2cqa s LEU 39 CO -0.05 0.24 0.90 -0.75 0.02 0.00 0.00 176.35 176.71 2cqa s LYS 40 N -0.10 3.09 0.59 1.70 2.20 -0.07 -1.86 119.74 125.29 2cqa s LYS 40 Ca -0.01 -0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 54.62 2cqa s LYS 40 Cb -0.14 -4.24 0.04 0.00 -1.51 0.00 0.00 37.83 31.98 2cqa s LYS 40 CO 0.04 -1.75 0.84 0.95 -0.36 0.00 0.00 175.35 175.07 2cqa s THR 41 N 3.70 2.63 -0.47 3.43 -4.23 0.66 -3.81 115.64 117.55 2cqa s THR 41 Ca 0.19 -0.54 -0.42 0.00 -1.18 0.00 0.00 61.69 59.74 2cqa s THR 41 Cb -0.19 -3.03 -0.18 0.00 1.34 0.00 0.00 72.50 70.44 2cqa s THR 41 CO 0.09 -0.02 1.80 0.41 -0.54 0.00 0.00 174.62 176.36 2cqa n THR 42 N -2.49 0.00 -3.63 3.99 -1.04 -1.26 0.30 114.28 110.14 2cqa n THR 42 Ca 0.08 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.80 2cqa n THR 42 Cb 0.60 -0.47 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 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 5.73 -0.81 -3.63 -2.82 -0.58 -1.26 -4.81 120.64 112.45 2cqa n GLU 43 Ca 0.43 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 57.16 2cqa n GLU 43 Cb -0.04 -3.21 -0.07 0.00 -0.57 0.00 0.00 31.44 27.55 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 -5.41 0.56 -0.06 3.49 1.75 0.15 -5.17 119.30 114.61 2cqa s MET 44 Ca 0.53 0.58 0.06 0.00 -1.25 0.00 0.00 55.69 55.61 2cqa s MET 44 Cb -0.31 0.27 -0.01 0.00 2.84 0.00 0.00 34.83 37.62 2cqa s MET 44 CO 0.71 -0.09 -0.25 -2.00 -0.65 0.00 0.00 175.02 172.75 2cqa s GLU 45 N 0.05 2.58 0.13 4.11 2.12 -1.26 0.24 118.70 126.67 2cqa s GLU 45 Ca 0.02 -0.89 0.07 0.00 0.36 0.00 0.00 54.97 54.53 2cqa s GLU 45 Cb -0.04 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 2cqa s GLU 45 CO -0.04 0.35 -0.17 0.99 -0.54 0.00 0.00 175.26 175.85 2cqa s THR 46 N -0.10 1.60 -0.05 -1.70 2.01 -0.78 -4.94 115.64 111.68 2cqa s THR 46 Ca -0.05 -1.70 0.03 0.00 0.31 0.00 0.00 61.69 60.27 2cqa s THR 46 Cb -0.14 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2cqa s THR 46 CO 0.04 -0.26 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.95 2cqa s ILE 47 N -1.75 3.16 -0.02 1.82 1.01 -1.26 -1.61 121.20 122.54 2cqa s ILE 47 Ca 0.10 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.12 2cqa s ILE 47 Cb -0.07 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2cqa s ILE 47 CO 0.05 0.59 -0.23 -0.31 0.00 0.00 0.00 174.94 175.03 2cqa s TYR 48 N -0.75 2.10 0.14 3.97 2.02 0.63 -5.01 117.35 120.46 2cqa s TYR 48 Ca 0.12 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 2cqa s TYR 48 Cb -0.11 -1.36 -0.07 0.00 -0.40 0.00 0.00 41.96 40.03 2cqa s TYR 48 CO 0.01 -0.04 0.59 0.16 -1.57 0.00 0.00 175.55 174.70 2cqa s ASP 49 N -0.54 6.94 -0.09 2.29 -4.77 -1.26 -1.95 116.67 117.30 2cqa s ASP 49 Ca 0.09 1.20 0.03 0.00 -3.30 0.00 0.00 52.55 50.57 2cqa s ASP 49 Cb -0.09 -2.34 0.01 0.00 -1.09 0.00 0.00 42.92 39.41 2cqa s ASP 49 CO -0.01 0.14 -0.19 -0.76 0.70 0.00 0.00 175.17 175.05 2cqa s LEU 50 N -1.72 1.91 0.00 2.11 1.43 -0.41 -4.97 118.68 117.03 2cqa s LEU 50 Ca 0.36 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2cqa s LEU 50 Cb -0.17 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.86 2cqa s LEU 50 CO 0.20 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2cqa n GLY 51 N 3.74 0.66 0.27 -3.19 0.00 -1.26 -2.43 105.19 102.96 2cqa n GLY 51 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.88 0.03 2.61 -1.04 -1.22 -3.85 114.28 111.70 2cqa n THR 52 Ca 0.00 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.05 61.59 2cqa n THR 52 Cb 0.00 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 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 -0.27 0.57 -0.30 -2.82 1.79 -1.96 -2.93 116.57 110.65 2cqa h LYS 53 Ca -0.37 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 57.60 2cqa h LYS 53 Cb 1.45 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.20 2cqa h LYS 53 CO -0.14 1.12 0.17 0.52 -1.08 0.00 0.00 179.45 180.03 2cqa h MET 54 N 0.37 0.41 -0.10 3.15 2.86 -1.85 -2.43 114.93 117.35 2cqa h MET 54 Ca -0.05 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.34 2cqa h MET 54 Cb 1.41 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 33.00 2cqa h MET 54 CO 0.15 0.31 -0.78 0.82 1.06 0.00 0.00 176.91 178.47 2cqa h ILE 55 N 0.42 1.30 -0.06 -1.22 2.04 -1.75 -3.07 117.51 115.17 2cqa h ILE 55 Ca 0.11 -2.01 0.02 0.00 1.00 0.00 0.00 64.86 63.97 2cqa h ILE 55 Cb 0.01 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2cqa h ILE 55 CO -0.02 0.63 0.32 -0.33 0.00 0.00 0.00 178.15 178.75 2cqa h GLU 56 N 0.39 0.00 0.08 2.37 5.08 -1.25 -0.59 114.58 120.66 2cqa h GLU 56 Ca -0.07 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 2cqa h GLU 56 Cb 1.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 2cqa h GLU 56 CO 0.16 0.00 -1.06 1.03 -1.00 0.00 0.00 179.01 178.14 2cqa h SER 57 N 0.00 0.28 -0.21 1.42 0.87 -1.48 -3.06 113.55 111.37 2cqa h SER 57 Ca 0.03 -0.84 0.06 0.00 -1.23 0.00 0.00 61.79 59.81 2cqa h SER 57 Cb 0.67 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2cqa h SER 57 CO -0.00 1.46 0.17 -0.07 -0.53 0.00 0.00 176.83 177.86 2cqa h LEU 58 N -0.53 0.00 0.06 2.23 3.38 -1.10 -2.19 115.31 117.16 2cqa h LEU 58 Ca -0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2cqa h LEU 58 Cb 1.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.31 2cqa h LEU 58 CO 0.03 0.00 -0.44 0.71 0.09 0.00 0.00 178.44 178.83 2cqa h THR 59 N 0.00 1.61 -0.38 0.22 1.35 -1.53 0.32 112.91 114.50 2cqa h THR 59 Ca 0.10 -2.35 0.08 0.00 -0.55 0.00 0.00 66.41 63.69 2cqa h THR 59 Cb 0.43 3.16 -0.09 0.00 -1.73 0.00 0.00 68.15 69.93 2cqa h THR 59 CO -0.00 0.64 -0.27 0.50 -0.25 0.00 0.00 175.52 176.15 2cqa h LYS 60 N -0.58 -0.20 -0.04 4.72 1.63 -1.29 0.13 116.57 120.93 2cqa h LYS 60 Ca -0.07 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2cqa h LYS 60 Cb 1.31 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2cqa h LYS 60 CO 0.08 -0.13 0.00 -0.25 -3.45 0.00 0.00 179.45 175.70 2cqa n ASP 61 N -5.40 1.35 -4.02 4.20 8.00 -1.01 -4.92 116.55 114.74 2cqa n ASP 61 Ca 0.01 -1.49 -0.32 0.00 0.71 0.00 0.00 54.79 53.70 2cqa n ASP 61 Cb 0.32 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cqa n LYS 62 N 0.06 -4.67 -1.58 -1.24 4.76 0.46 -4.80 118.16 111.15 2cqa n LYS 62 Ca 0.19 0.52 -0.54 0.00 -2.87 0.00 0.00 58.31 55.61 2cqa n LYS 62 Cb 0.32 -5.34 -0.06 0.00 -1.84 0.00 0.00 35.03 28.10 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 -4.57 0.02 -4.34 -0.18 0.31 0.10 -4.97 118.33 104.70 2cqa n VAL 63 Ca 0.05 -0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.20 2cqa n VAL 63 Cb 0.52 -0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.57 1.33 0.29 5.55 -0.21 -1.26 -4.94 119.66 120.99 2cqa s GLN 64 Ca 0.87 -1.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.29 2cqa s GLN 64 Cb -1.03 -0.74 -0.11 0.00 1.00 0.00 0.00 33.01 32.12 2cqa s GLN 64 CO 0.50 -0.03 1.57 0.00 -2.12 0.00 0.00 175.29 175.21 2cqa s ALA 65 N -3.31 3.72 0.00 6.09 0.00 -1.26 -3.02 121.76 123.99 2cqa s ALA 65 Ca 0.26 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2cqa s ALA 65 Cb 0.04 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2cqa s ALA 65 CO 0.08 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2cqa n GLY 66 N 2.04 3.01 3.79 0.00 0.00 0.25 -4.99 105.19 109.29 2cqa n GLY 66 Ca 0.07 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.01 7.26 -0.40 1.61 1.01 -1.17 -4.63 116.67 120.34 2cqa s ASP 67 Ca 0.00 1.65 -0.23 0.00 0.71 0.00 0.00 52.55 54.68 2cqa s ASP 67 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2cqa s ASP 67 CO 0.00 0.03 0.79 -0.69 0.21 0.00 0.00 175.17 175.51 2cqa s VAL 68 N -1.47 4.69 0.03 -1.27 1.01 -1.21 -2.37 120.40 119.82 2cqa s VAL 68 Ca 0.44 0.70 0.04 0.00 0.00 0.00 0.00 61.98 63.16 2cqa s VAL 68 Cb -0.19 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2cqa s VAL 68 CO 0.24 -0.55 -0.08 0.27 0.00 0.00 0.00 175.10 174.97 2cqa s ILE 69 N 3.19 3.51 0.33 2.22 -5.25 -1.15 -0.15 121.20 123.90 2cqa s ILE 69 Ca 0.31 -0.91 0.05 0.00 -0.99 0.00 0.00 60.65 59.10 2cqa s ILE 69 Cb -0.13 -2.55 -0.01 0.00 2.95 0.00 0.00 42.46 42.72 2cqa s ILE 69 CO 0.19 0.33 0.48 0.42 -1.79 0.00 0.00 174.94 174.57 2cqa s THR 70 N -1.04 4.42 -0.22 8.37 -4.23 0.24 -3.34 115.64 119.84 2cqa s THR 70 Ca 0.18 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2cqa s THR 70 Cb -0.11 -3.56 0.07 0.00 1.34 0.00 0.00 72.50 70.24 2cqa s THR 70 CO 0.09 -0.25 0.07 -0.63 -0.54 0.00 0.00 174.62 173.35 2cqa s ILE 71 N -2.19 0.39 -0.53 2.99 1.01 -0.53 -1.69 121.20 120.65 2cqa s ILE 71 Ca 0.42 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 2cqa s ILE 71 Cb -0.09 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.36 2cqa s ILE 71 CO 0.32 -0.37 1.04 -0.62 0.00 0.00 0.00 174.94 175.31 2cqa s ASP 72 N 1.90 6.45 0.14 3.58 -1.08 0.11 -2.37 116.67 125.41 2cqa s ASP 72 Ca 0.03 0.01 -0.03 0.00 -0.52 0.00 0.00 52.55 52.03 2cqa s ASP 72 Cb -0.17 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.76 2cqa s ASP 72 CO -0.15 -1.27 1.35 0.11 0.52 0.00 0.00 175.17 175.73 2cqa h LYS 73 N 9.32 0.40 -0.01 4.34 1.57 -0.45 2.16 116.57 133.90 2cqa h LYS 73 Ca -0.25 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.08 2cqa h LYS 73 Cb 1.07 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2cqa h LYS 73 CO 1.11 1.06 -0.25 0.00 -0.57 0.00 0.00 179.45 180.80 2cqa h ALA 74 N 0.81 1.58 0.00 3.86 0.00 -1.86 -3.05 119.26 120.60 2cqa h ALA 74 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2cqa h ALA 74 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2cqa h ALA 74 CO 0.15 0.32 -0.36 0.25 0.00 0.00 0.00 179.25 179.61 2cqa n THR 75 N -4.24 0.00 -3.52 0.00 -2.24 -1.19 -5.02 114.28 98.07 2cqa n THR 75 Ca -0.02 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 2cqa n THR 75 Cb 0.30 0.97 0.08 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.20 -0.45 3.44 3.38 0.00 0.72 -5.01 105.19 108.46 2cqa n GLY 76 Ca 0.01 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2cqa n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqa s LYS 77 N -6.10 1.60 -0.19 1.61 0.00 -0.33 -4.74 119.74 111.59 2cqa s LYS 77 Ca 0.47 -1.68 0.01 0.00 0.00 0.00 0.00 55.97 54.77 2cqa s LYS 77 Cb -0.21 -1.73 0.04 0.00 0.00 0.00 0.00 37.83 35.93 2cqa s LYS 77 CO 0.70 0.34 -0.11 0.42 0.00 0.00 0.00 175.35 176.69 2cqa s ILE 78 N -2.29 1.66 0.13 3.79 1.01 -1.26 0.06 121.20 124.30 2cqa s ILE 78 Ca 0.26 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2cqa s ILE 78 Cb -0.06 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2cqa s ILE 78 CO 0.13 0.23 0.00 -0.55 0.00 0.00 0.00 174.94 174.76 2cqa s SER 79 N 1.40 4.93 -0.07 3.58 0.15 -0.68 -4.75 113.70 118.26 2cqa s SER 79 Ca -0.00 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 2cqa s SER 79 Cb -0.16 -1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 63.00 2cqa s SER 79 CO -0.09 0.14 -0.05 -0.75 1.20 0.00 0.00 173.24 173.69 2cqa s LYS 80 N -2.58 2.82 0.21 5.44 2.20 -1.26 0.81 119.74 127.38 2cqa s LYS 80 Ca 0.26 -0.50 0.09 0.00 -0.36 0.00 0.00 55.97 55.46 2cqa s LYS 80 Cb -0.11 -2.66 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 2cqa s LYS 80 CO 0.18 0.68 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.18 2cqa s LEU 81 N -0.83 2.54 0.00 5.43 1.43 0.79 -4.92 118.68 123.12 2cqa s LEU 81 Ca 0.13 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 2cqa s LEU 81 Cb -0.11 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.33 2cqa s LEU 81 CO 0.02 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2cqa n GLY 82 N -0.32 -1.43 3.52 -3.19 0.00 -1.26 -3.29 105.19 99.23 2cqa n GLY 82 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.54 -0.87 1.61 3.52 -1.26 -3.56 118.95 118.93 2cqa s ARG 83 Ca 0.00 1.24 -0.13 0.00 -0.13 0.00 0.00 55.73 56.70 2cqa s ARG 83 Cb 0.00 0.48 0.23 0.00 -1.56 0.00 0.00 34.95 34.09 2cqa s ARG 83 CO 0.00 -0.19 0.82 -1.12 -0.81 0.00 0.00 175.30 173.99 2cqa s SER 84 N 2.35 6.84 -0.21 -2.12 0.01 -1.26 -4.82 113.70 114.50 2cqa s SER 84 Ca -0.06 -2.83 -0.16 0.00 1.31 0.00 0.00 55.95 54.20 2cqa s SER 84 Cb -0.10 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.84 2cqa s SER 84 CO -0.17 -0.53 -0.34 0.33 0.41 0.00 0.00 173.24 172.94 2cqa n PHE 85 N 3.77 0.00 -2.27 2.43 -0.00 -1.26 -4.78 117.46 115.35 2cqa n PHE 85 Ca 0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.20 2cqa n PHE 85 Cb 0.46 -0.66 -0.03 0.00 -0.00 0.00 0.00 39.48 39.24 2cqa n PHE 85 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2cqa s THR 86 N -2.74 3.06 -1.25 -2.13 -1.32 -1.26 -3.46 115.64 106.53 2cqa s THR 86 Ca -0.32 1.04 -0.03 0.00 -1.21 0.00 0.00 61.69 61.18 2cqa s THR 86 Cb 0.08 -3.66 -0.01 0.00 -1.51 0.00 0.00 72.50 67.40 2cqa s THR 86 CO 0.44 0.23 0.76 0.54 -2.21 0.00 0.00 174.62 174.38 2cqa n ARG 87 N 0.86 -4.43 -0.01 7.08 3.00 -1.26 -4.92 116.66 116.97 2cqa n ARG 87 Ca 0.00 0.65 -0.17 0.00 -0.01 0.00 0.00 57.85 58.33 2cqa n ARG 87 Cb 0.43 -5.20 -0.12 0.00 0.00 0.00 0.00 32.46 27.57 2cqa n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cqa h ALA 88 N 0.77 0.01 -2.54 7.54 0.00 -1.86 -3.45 119.26 119.73 2cqa h ALA 88 Ca -0.61 -0.55 -0.57 0.00 0.00 0.00 0.00 54.91 53.18 2cqa h ALA 88 Cb 1.35 0.04 0.12 0.00 0.00 0.00 0.00 17.79 19.30 2cqa h ALA 88 CO 0.54 0.20 0.40 -2.13 0.00 0.00 0.00 179.25 178.25 2cqa n ARG 89 N -4.37 1.82 -3.76 0.00 0.63 -1.26 -4.99 116.66 104.74 2cqa n ARG 89 Ca -0.11 0.64 -0.10 0.00 -0.92 0.00 0.00 57.85 57.37 2cqa n ARG 89 Cb 0.61 -2.25 -0.04 0.00 0.45 0.00 0.00 32.46 31.23 2cqa n ARG 89 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2cqa s SER 90 N -0.51 -0.23 0.00 6.15 1.04 -1.26 -5.15 113.70 113.73 2cqa s SER 90 Ca 0.60 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2cqa s SER 90 Cb -0.55 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2cqa s SER 90 CO 0.59 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2cqa n GLY 91 N -0.33 -0.62 0.17 7.32 0.00 -1.26 -4.73 105.19 105.74 2cqa n GLY 91 Ca -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 0.03 -7.14 1.61 0.13 -2.07 -3.46 132.00 121.10 2cqa h PRO 92 Ca 0.00 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.49 2cqa h PRO 92 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 2cqa h PRO 92 CO 0.00 0.51 -0.92 -1.13 -0.23 0.00 0.00 178.00 176.23 2cqa n SER 93 N -3.96 -1.22 -4.79 1.44 3.41 -1.26 -4.87 113.62 102.36 2cqa n SER 93 Ca -0.02 -1.24 -0.36 0.00 -0.26 0.00 0.00 58.87 56.99 2cqa n SER 93 Cb 0.51 -1.70 -0.06 0.00 -0.26 0.00 0.00 64.21 62.69 2cqa n SER 93 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqa s SER 94 N -3.55 7.22 0.00 4.04 0.15 -1.26 -5.26 113.70 115.04 2cqa s SER 94 Ca 0.61 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2cqa s SER 94 Cb -0.35 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 2cqa s SER 94 CO 1.01 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 176.02