#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 6.66 -4.40 1.61 3.41 -1.26 -4.98 113.62 114.66 2cqa n SER 2 Ca 0.00 -3.78 -0.20 0.00 -0.26 0.00 0.00 58.87 54.63 2cqa n SER 2 Cb 0.00 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.06 2cqa n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqa s SER 3 N -2.30 2.09 0.00 4.04 1.04 -1.26 -4.97 113.70 112.35 2cqa s SER 3 Ca 0.57 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2cqa s SER 3 Cb 0.46 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2cqa s SER 3 CO -0.11 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2cqa n GLY 4 N -0.59 0.81 3.89 7.32 0.00 -1.26 -5.10 105.19 110.26 2cqa n GLY 4 Ca -0.03 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 2cqa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 5 N -2.10 6.36 -0.02 1.61 0.01 -1.26 -5.09 113.70 113.21 2cqa s SER 5 Ca 0.00 1.10 0.07 0.00 1.31 0.00 0.00 55.95 58.43 2cqa s SER 5 Cb 0.00 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2cqa s SER 5 CO 0.00 -0.57 -0.23 -0.55 0.41 0.00 0.00 173.24 172.30 2cqa s SER 6 N -3.76 3.33 0.00 2.44 0.15 -1.26 -4.75 113.70 109.85 2cqa s SER 6 Ca 0.50 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2cqa s SER 6 Cb -0.10 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2cqa s SER 6 CO 0.41 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.78 2cqa n GLY 7 N 2.28 0.85 0.32 9.45 0.00 -1.26 -4.97 105.19 111.85 2cqa n GLY 7 Ca -0.16 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2cqa n GLY 7 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cqa h LYS 8 N 0.00 0.41 -6.66 1.61 3.11 -2.04 -3.41 116.57 109.59 2cqa h LYS 8 Ca 0.00 -0.02 -0.57 0.00 -2.81 0.00 0.00 60.65 57.24 2cqa h LYS 8 Cb 0.49 -0.09 0.17 0.00 -1.00 0.00 0.00 32.23 31.81 2cqa h LYS 8 CO 0.00 0.27 -0.23 0.39 -2.81 0.00 0.00 179.45 177.07 2cqa n GLU 9 N -5.02 0.54 -3.77 1.90 -0.58 -1.26 -5.01 120.64 107.44 2cqa n GLU 9 Ca 0.22 0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 57.08 2cqa n GLU 9 Cb 0.65 -1.89 0.01 0.00 -0.57 0.00 0.00 31.44 29.65 2cqa n GLU 9 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2cqa n GLU 10 N -0.62 0.98 -2.19 3.49 0.28 -1.26 -5.18 120.64 116.14 2cqa n GLU 10 Ca 0.12 -2.35 -0.28 0.00 -0.16 0.00 0.00 57.16 54.50 2cqa n GLU 10 Cb 0.48 2.69 0.18 0.00 1.43 0.00 0.00 31.44 36.22 2cqa n GLU 10 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2cqa s THR 11 N -2.33 2.00 -1.53 3.84 -4.23 -1.26 -4.37 115.64 107.75 2cqa s THR 11 Ca 0.19 -0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2cqa s THR 11 Cb -0.04 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2cqa s THR 11 CO 0.14 0.00 0.32 -0.62 -0.54 0.00 0.00 174.62 173.92 2cqa n GLU 12 N -3.52 -3.24 -3.82 3.99 -0.58 -1.26 -4.86 120.64 107.35 2cqa n GLU 12 Ca 0.17 0.88 -0.12 0.00 -0.42 0.00 0.00 57.16 57.67 2cqa n GLU 12 Cb 0.60 -5.53 -0.12 0.00 -0.57 0.00 0.00 31.44 25.81 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2cqa s ILE 13 N -3.06 0.00 -0.02 -3.67 1.01 -1.26 -0.23 121.20 113.98 2cqa s ILE 13 Ca 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2cqa s ILE 13 Cb -0.07 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.18 2cqa s ILE 13 CO 0.20 -0.02 -0.01 -0.63 0.00 0.00 0.00 174.94 174.47 2cqa s ILE 14 N 0.00 0.21 0.05 2.92 1.01 -0.90 -4.97 121.20 119.53 2cqa s ILE 14 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2cqa s ILE 14 Cb -0.01 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2cqa s ILE 14 CO 0.00 0.12 -0.14 -0.70 0.00 0.00 0.00 174.94 174.22 2cqa s GLU 15 N 0.58 2.17 -0.04 2.79 2.12 -1.26 -0.98 118.70 124.07 2cqa s GLU 15 Ca -0.06 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.03 2cqa s GLU 15 Cb -0.09 -2.28 0.11 0.00 0.26 0.00 0.00 34.13 32.13 2cqa s GLU 15 CO -0.01 0.54 0.94 0.20 -0.54 0.00 0.00 175.26 176.39 2cqa s GLY 16 N -1.65 -0.44 -0.49 -1.50 0.00 -1.11 -4.96 107.32 97.18 2cqa s GLY 16 Ca 0.17 1.12 -0.28 0.00 0.00 0.00 0.00 44.72 45.73 2cqa s GLY 16 CO 0.08 0.38 1.11 1.85 0.00 0.00 0.00 173.10 176.52 2cqa s GLU 17 N -2.98 3.68 -0.04 2.90 2.12 -1.25 -2.41 118.70 120.72 2cqa s GLU 17 Ca 0.06 0.48 -0.36 0.00 0.36 0.00 0.00 54.97 55.50 2cqa s GLU 17 Cb -0.01 -3.92 -0.14 0.00 0.26 0.00 0.00 34.13 30.32 2cqa s GLU 17 CO -0.08 -1.39 1.66 0.28 -0.54 0.00 0.00 175.26 175.19 2cqa n VAL 18 N 6.78 0.25 -0.08 3.70 0.31 -1.11 -1.33 118.33 126.86 2cqa n VAL 18 Ca 0.11 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 2cqa n VAL 18 Cb 0.49 -1.40 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 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 4.02 0.85 -3.80 2.52 0.31 0.11 -1.34 118.33 121.00 2cqa n VAL 19 Ca 0.21 -0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2cqa n VAL 19 Cb 0.23 -1.54 -0.13 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.29 0.16 -0.37 5.55 2.12 -1.10 -4.67 118.70 118.11 2cqa s GLU 20 Ca -0.21 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.38 2cqa s GLU 20 Cb 0.08 0.02 0.11 0.00 0.26 0.00 0.00 34.13 34.60 2cqa s GLU 20 CO 0.29 -0.06 0.14 0.42 -0.54 0.00 0.00 175.26 175.52 2cqa s ILE 21 N 0.35 1.34 0.06 -3.70 1.01 -1.26 -1.06 121.20 117.94 2cqa s ILE 21 Ca -0.02 -2.01 -0.19 0.00 0.00 0.00 0.00 60.65 58.43 2cqa s ILE 21 Cb -0.04 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.39 2cqa s ILE 21 CO -0.01 -0.74 0.54 -1.58 0.00 0.00 0.00 174.94 173.15 2cqa s GLN 22 N 1.01 4.16 -0.33 2.79 2.00 0.76 -4.94 119.66 125.11 2cqa s GLN 22 Ca 0.13 0.69 -0.01 0.00 -2.00 0.00 0.00 55.36 54.17 2cqa s GLN 22 Cb -0.20 -3.24 0.11 0.00 0.80 0.00 0.00 33.01 30.48 2cqa s GLN 22 CO -0.13 0.65 0.14 0.42 -0.50 0.00 0.00 175.29 175.87 2cqa s ILE 23 N -1.10 0.77 -0.29 -2.34 -1.09 -1.26 -0.53 121.20 115.35 2cqa s ILE 23 Ca 0.28 -1.54 -0.29 0.00 -2.23 0.00 0.00 60.65 56.87 2cqa s ILE 23 Cb -0.19 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.11 2cqa s ILE 23 CO 0.18 -0.75 1.26 -1.81 -1.23 0.00 0.00 174.94 172.59 2cqa s ASP 24 N 1.42 6.74 0.39 3.58 1.01 -0.86 -5.00 116.67 123.94 2cqa s ASP 24 Ca 0.12 1.22 -0.25 0.00 0.71 0.00 0.00 52.55 54.34 2cqa s ASP 24 Cb -0.19 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.12 2cqa s ASP 24 CO -0.20 -1.02 1.15 -0.13 0.21 0.00 0.00 175.17 175.18 2cqa s ARG 25 N 4.02 4.12 0.69 8.23 0.52 -1.26 -4.04 118.95 131.23 2cqa s ARG 25 Ca 0.54 1.80 -0.14 0.00 -0.52 0.00 0.00 55.73 57.41 2cqa s ARG 25 Cb -0.16 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.62 2cqa s ARG 25 CO 0.21 -0.25 1.11 -1.25 0.02 0.00 0.00 175.30 175.14 2cqa s PRO 26 N -2.24 2.64 -0.09 3.54 0.04 -1.26 -4.99 135.00 132.63 2cqa s PRO 26 Ca 0.56 1.33 0.18 0.00 0.04 0.00 0.00 61.00 63.11 2cqa s PRO 26 Cb -0.30 -1.93 0.39 0.00 0.04 0.00 0.00 34.50 32.70 2cqa s PRO 26 CO 0.37 -1.36 1.18 0.00 0.04 0.00 0.00 177.00 177.23 2cqa n ALA 27 N -2.72 2.87 -3.06 8.56 0.00 -1.26 -5.07 120.51 119.82 2cqa n ALA 27 Ca 0.10 -2.68 -0.09 0.00 0.00 0.00 0.00 53.44 50.77 2cqa n ALA 27 Cb 0.52 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 2cqa n ALA 27 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2cqa s THR 28 N -1.50 0.03 -1.47 0.00 -1.32 -1.26 -5.06 115.64 105.06 2cqa s THR 28 Ca 0.33 -1.22 -0.12 0.00 -1.21 0.00 0.00 61.69 59.47 2cqa s THR 28 Cb 0.35 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.41 2cqa s THR 28 CO -0.11 -0.13 2.50 0.61 -2.21 0.00 0.00 174.62 175.28 2cqa n GLY 29 N -0.31 4.21 3.16 6.08 0.00 -1.26 -4.83 105.19 112.23 2cqa n GLY 29 Ca -0.06 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqa s THR 30 N 2.90 -0.01 0.00 2.61 2.01 -1.26 -5.04 115.64 116.85 2cqa s THR 30 Ca 0.56 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 2cqa s THR 30 Cb 0.15 -0.41 -0.15 0.00 0.01 0.00 0.00 72.50 72.10 2cqa s THR 30 CO -0.07 0.01 2.77 0.61 -0.69 0.00 0.00 174.62 177.25 2cqa n GLY 31 N 3.21 2.63 3.21 4.40 0.00 -1.26 -4.78 105.19 112.60 2cqa n GLY 31 Ca -0.15 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 2.06 5.03 0.26 1.61 0.01 -1.26 -5.00 113.70 116.41 2cqa s SER 32 Ca 0.38 -1.20 0.08 0.00 1.31 0.00 0.00 55.95 56.52 2cqa s SER 32 Cb 0.18 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 2cqa s SER 32 CO 0.00 -0.28 0.16 -0.54 0.41 0.00 0.00 173.24 172.99 2cqa s LYS 33 N 1.31 2.79 0.04 12.44 1.02 -1.26 -4.73 119.74 131.36 2cqa s LYS 33 Ca -0.04 -1.14 -0.13 0.00 0.02 0.00 0.00 55.97 54.69 2cqa s LYS 33 Cb -0.19 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2cqa s LYS 33 CO 0.00 0.38 0.28 0.14 -0.92 0.00 0.00 175.35 175.23 2cqa s VAL 34 N -2.18 0.09 0.25 3.17 -7.23 -1.24 -3.46 120.40 109.80 2cqa s VAL 34 Ca 0.33 -0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 59.57 2cqa s VAL 34 Cb -0.07 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 36.01 2cqa s VAL 34 CO 0.24 -0.39 0.77 -0.83 -0.31 0.00 0.00 175.10 174.58 2cqa s GLY 35 N -1.98 -0.14 -0.12 2.32 0.00 -0.80 -2.03 107.32 104.57 2cqa s GLY 35 Ca -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 2cqa s GLY 35 CO -0.03 -0.06 -0.07 0.54 0.00 0.00 0.00 173.10 173.49 2cqa s LYS 36 N -3.76 1.48 -0.07 2.90 1.02 0.31 0.41 119.74 122.02 2cqa s LYS 36 Ca 0.11 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.82 2cqa s LYS 36 Cb -0.05 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.59 2cqa s LYS 36 CO 0.05 -0.30 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.93 2cqa s LEU 37 N 1.70 3.05 -0.11 3.17 2.96 0.28 -0.17 118.68 129.57 2cqa s LEU 37 Ca 0.04 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2cqa s LEU 37 Cb -0.13 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.92 2cqa s LEU 37 CO -0.08 0.34 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.30 2cqa s THR 38 N -0.70 1.17 -0.06 3.68 2.01 -0.22 0.56 115.64 122.08 2cqa s THR 38 Ca 0.11 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2cqa s THR 38 Cb -0.11 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2cqa s THR 38 CO 0.01 0.39 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.43 2cqa s LEU 39 N 1.43 2.74 -0.63 4.42 1.02 -0.55 0.09 118.68 127.20 2cqa s LEU 39 Ca 0.01 -0.21 -0.21 0.00 0.02 0.00 0.00 54.13 53.73 2cqa s LEU 39 Cb -0.13 -1.57 0.08 0.00 0.02 0.00 0.00 46.19 44.59 2cqa s LEU 39 CO -0.06 0.31 0.87 -0.75 0.02 0.00 0.00 176.35 176.75 2cqa s LYS 40 N -0.54 3.10 0.57 1.70 2.20 -0.44 -1.27 119.74 125.07 2cqa s LYS 40 Ca 0.07 -0.94 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2cqa s LYS 40 Cb -0.12 -4.22 0.04 0.00 -1.51 0.00 0.00 37.83 32.02 2cqa s LYS 40 CO 0.01 -1.69 0.81 0.95 -0.36 0.00 0.00 175.35 175.07 2cqa s THR 41 N 3.60 2.61 -0.47 3.43 -4.23 0.58 -3.81 115.64 117.36 2cqa s THR 41 Ca 0.19 -0.61 -0.42 0.00 -1.18 0.00 0.00 61.69 59.67 2cqa s THR 41 Cb -0.19 -3.00 -0.18 0.00 1.34 0.00 0.00 72.50 70.47 2cqa s THR 41 CO 0.10 0.00 1.80 0.41 -0.54 0.00 0.00 174.62 176.38 2cqa n THR 42 N -2.42 0.00 -3.55 3.99 -1.04 -1.26 0.28 114.28 110.27 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 -0.05 0.00 -1.82 0.00 0.00 70.33 68.59 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 5.68 -0.81 -3.60 -2.82 4.71 -1.26 -4.81 120.64 117.73 2cqa n GLU 43 Ca 0.42 0.09 -0.13 0.00 -0.01 0.00 0.00 57.16 57.54 2cqa n GLU 43 Cb -0.05 -3.14 -0.06 0.00 -1.01 0.00 0.00 31.44 27.18 2cqa n GLU 43 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 2cqa s MET 44 N -5.22 0.74 -0.05 3.49 -2.45 0.14 -5.17 119.30 110.78 2cqa s MET 44 Ca 0.55 0.53 0.05 0.00 -1.25 0.00 0.00 55.69 55.56 2cqa s MET 44 Cb -0.32 0.35 -0.02 0.00 1.25 0.00 0.00 34.83 36.09 2cqa s MET 44 CO 0.69 -0.16 -0.19 -1.21 1.05 0.00 0.00 175.02 175.20 2cqa s GLU 45 N -0.35 2.50 0.15 4.11 8.01 -1.26 0.22 118.70 132.08 2cqa s GLU 45 Ca -0.02 -0.80 0.10 0.00 0.01 0.00 0.00 54.97 54.27 2cqa s GLU 45 Cb -0.03 -2.27 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 2cqa s GLU 45 CO 0.01 0.52 -0.24 0.99 0.01 0.00 0.00 175.26 176.54 2cqa s THR 46 N -0.47 2.16 -0.29 3.63 2.01 -0.39 -4.93 115.64 117.36 2cqa s THR 46 Ca 0.06 -1.83 0.02 0.00 0.31 0.00 0.00 61.69 60.25 2cqa s THR 46 Cb -0.12 -1.96 0.08 0.00 0.01 0.00 0.00 72.50 70.52 2cqa s THR 46 CO 0.01 -0.04 0.00 -0.63 -0.69 0.00 0.00 174.62 173.27 2cqa s ILE 47 N -1.37 1.84 -0.00 1.82 1.09 -1.26 -1.48 121.20 121.83 2cqa s ILE 47 Ca 0.15 -1.77 -0.16 0.00 -1.10 0.00 0.00 60.65 57.78 2cqa s ILE 47 Cb -0.09 -2.21 -0.06 0.00 -1.06 0.00 0.00 42.46 39.04 2cqa s ILE 47 CO 0.07 -0.37 0.44 -0.31 -0.10 0.00 0.00 174.94 174.66 2cqa s TYR 48 N 1.18 3.71 -0.24 3.97 2.02 0.19 -4.93 117.35 123.25 2cqa s TYR 48 Ca 0.03 1.02 -0.22 0.00 -0.37 0.00 0.00 57.07 57.52 2cqa s TYR 48 Cb -0.19 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.01 2cqa s TYR 48 CO -0.10 0.58 0.73 0.16 -1.57 0.00 0.00 175.55 175.35 2cqa s ASP 49 N -0.87 6.71 0.37 2.29 -4.77 -1.26 -0.56 116.67 118.59 2cqa s ASP 49 Ca 0.25 0.88 -0.07 0.00 -3.30 0.00 0.00 52.55 50.31 2cqa s ASP 49 Cb -0.17 -2.39 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 2cqa s ASP 49 CO 0.14 -0.44 0.68 -0.76 0.70 0.00 0.00 175.17 175.49 2cqa s LEU 50 N 2.63 3.89 0.00 2.11 1.43 0.17 -4.94 118.68 123.95 2cqa s LEU 50 Ca 0.31 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2cqa s LEU 50 Cb -0.15 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2cqa s LEU 50 CO 0.08 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2cqa n GLY 51 N -1.39 2.98 0.13 -3.19 0.00 -1.26 -1.91 105.19 100.55 2cqa n GLY 51 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 1.37 -0.01 2.61 -1.04 -1.22 -3.59 114.28 112.39 2cqa n THR 52 Ca 0.00 -0.51 -0.17 0.00 -2.04 0.00 0.00 64.05 61.34 2cqa n THR 52 Cb 0.00 -1.39 -0.11 0.00 -1.82 0.00 0.00 70.33 67.01 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 -0.09 0.40 -0.77 -2.82 1.57 -1.92 -3.02 116.57 109.92 2cqa h LYS 53 Ca -0.54 -0.41 0.11 0.00 -1.87 0.00 0.00 60.65 57.94 2cqa h LYS 53 Cb 1.80 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 34.14 2cqa h LYS 53 CO -0.11 1.07 0.39 0.52 -0.57 0.00 0.00 179.45 180.74 2cqa h MET 54 N -0.10 0.60 -0.09 3.15 2.86 -1.81 -2.13 114.93 117.41 2cqa h MET 54 Ca -0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2cqa h MET 54 Cb 1.24 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 2cqa h MET 54 CO 0.11 0.40 0.04 0.82 1.06 0.00 0.00 176.91 179.33 2cqa h ILE 55 N 0.62 1.12 -1.52 -1.22 2.04 -1.73 -2.43 117.51 114.39 2cqa h ILE 55 Ca 0.39 -0.36 0.44 0.00 1.00 0.00 0.00 64.86 66.33 2cqa h ILE 55 Cb 0.46 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2cqa h ILE 55 CO -0.30 0.11 1.20 -0.33 0.00 0.00 0.00 178.15 178.82 2cqa h GLU 56 N 0.00 0.00 0.15 2.37 5.08 -1.25 1.23 114.58 122.17 2cqa h GLU 56 Ca 0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.06 2cqa h GLU 56 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2cqa h GLU 56 CO -0.00 0.00 -1.65 0.77 -1.00 0.00 0.00 179.01 177.13 2cqa h SER 57 N 0.00 0.51 1.06 1.42 0.02 -1.39 -2.28 113.55 112.90 2cqa h SER 57 Ca 0.72 -0.74 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2cqa h SER 57 Cb 3.11 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 65.48 2cqa h SER 57 CO -0.01 1.62 -0.12 -0.07 -1.14 0.00 0.00 176.83 177.11 2cqa h LEU 58 N 0.09 0.00 0.01 5.07 3.38 0.16 -3.03 115.31 120.99 2cqa h LEU 58 Ca -0.30 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 2cqa h LEU 58 Cb 2.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.78 2cqa h LEU 58 CO 0.17 0.12 -1.45 0.35 0.09 0.00 0.00 178.44 177.72 2cqa n THR 59 N -3.24 1.56 -0.15 0.22 -2.24 0.70 -0.08 114.28 111.06 2cqa n THR 59 Ca 0.01 -0.13 0.27 0.00 -2.27 0.00 0.00 64.05 61.93 2cqa n THR 59 Cb 0.39 -1.99 0.72 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.87 0.00 0.00 -0.78 3.11 -1.45 -0.15 116.57 116.42 2cqa h LYS 60 Ca -0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2cqa h LYS 60 Cb 1.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 2cqa h LYS 60 CO -0.19 0.00 -0.54 -0.25 -2.81 0.00 0.00 179.45 175.66 2cqa n ASP 61 N -4.25 0.84 -2.86 4.20 8.00 -1.15 -5.01 116.55 116.32 2cqa n ASP 61 Ca 0.17 -0.57 -0.19 0.00 0.71 0.00 0.00 54.79 54.91 2cqa n ASP 61 Cb 0.91 1.06 0.05 0.00 -0.02 0.00 0.00 41.12 43.13 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 -1.29 -5.76 -1.54 -1.24 4.01 0.04 -4.90 118.16 107.49 2cqa n LYS 62 Ca 0.01 0.70 -0.47 0.00 -0.51 0.00 0.00 58.31 58.04 2cqa n LYS 62 Cb 0.14 -5.26 -0.03 0.00 -0.51 0.00 0.00 35.03 29.37 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2cqa n VAL 63 N -4.47 1.64 -4.10 -0.18 0.31 0.88 -4.97 118.33 107.44 2cqa n VAL 63 Ca -0.02 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.81 2cqa n VAL 63 Cb 0.56 -0.68 -0.10 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.06 0.86 0.30 5.55 -1.52 -1.26 -4.95 119.66 117.58 2cqa s GLN 64 Ca 0.65 -1.33 -0.29 0.00 -1.95 0.00 0.00 55.36 52.44 2cqa s GLN 64 Cb -0.82 0.25 -0.13 0.00 -0.22 0.00 0.00 33.01 32.09 2cqa s GLN 64 CO 0.57 -0.24 1.19 0.00 -0.25 0.00 0.00 175.29 176.56 2cqa n ALA 65 N -0.05 0.53 0.00 6.09 0.00 -1.26 -2.86 120.51 122.96 2cqa n ALA 65 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2cqa n ALA 65 Cb 0.63 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 1.22 2.31 3.75 0.00 0.00 -0.45 -5.00 105.19 107.02 2cqa n GLY 66 Ca 0.08 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.17 6.78 -0.41 1.61 1.11 -1.14 -4.43 116.67 120.03 2cqa s ASP 67 Ca 0.00 0.92 -0.29 0.00 0.18 0.00 0.00 52.55 53.36 2cqa s ASP 67 Cb 0.00 -2.30 0.02 0.00 1.07 0.00 0.00 42.92 41.72 2cqa s ASP 67 CO 0.00 0.08 1.11 -0.69 1.18 0.00 0.00 175.17 176.85 2cqa s VAL 68 N 0.13 4.34 0.18 -1.27 1.01 -1.26 -2.73 120.40 120.80 2cqa s VAL 68 Ca 0.27 1.46 0.07 0.00 0.00 0.00 0.00 61.98 63.77 2cqa s VAL 68 Cb -0.16 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 2cqa s VAL 68 CO 0.12 -0.77 0.04 0.27 0.00 0.00 0.00 175.10 174.76 2cqa s ILE 69 N 4.10 3.91 0.33 2.22 -5.25 -1.01 -2.50 121.20 123.00 2cqa s ILE 69 Ca 0.47 -1.38 0.07 0.00 -0.99 0.00 0.00 60.65 58.82 2cqa s ILE 69 Cb -0.09 -2.99 -0.03 0.00 2.95 0.00 0.00 42.46 42.30 2cqa s ILE 69 CO 0.24 -0.14 0.29 0.42 -1.79 0.00 0.00 174.94 173.96 2cqa s THR 70 N -1.80 3.55 -0.19 8.37 -4.23 0.72 -2.76 115.64 119.29 2cqa s THR 70 Ca 0.29 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2cqa s THR 70 Cb -0.09 -3.19 0.06 0.00 1.34 0.00 0.00 72.50 70.62 2cqa s THR 70 CO 0.20 -0.18 0.05 -0.63 -0.54 0.00 0.00 174.62 173.52 2cqa s ILE 71 N -2.30 0.41 -0.52 2.99 1.01 -0.15 -2.74 121.20 119.89 2cqa s ILE 71 Ca 0.41 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 2cqa s ILE 71 Cb -0.06 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.50 2cqa s ILE 71 CO 0.26 -0.24 0.71 -0.62 0.00 0.00 0.00 174.94 175.05 2cqa s ASP 72 N 1.91 6.25 0.25 3.58 -1.08 0.63 -2.13 116.67 126.08 2cqa s ASP 72 Ca -0.00 -0.80 0.04 0.00 -0.52 0.00 0.00 52.55 51.27 2cqa s ASP 72 Cb -0.17 -2.33 0.30 0.00 -1.46 0.00 0.00 42.92 39.26 2cqa s ASP 72 CO -0.09 -0.99 1.60 0.11 0.52 0.00 0.00 175.17 176.32 2cqa h LYS 73 N 9.09 0.29 -0.65 4.34 1.57 -0.89 1.22 116.57 131.54 2cqa h LYS 73 Ca -0.27 -0.17 0.12 0.00 -1.87 0.00 0.00 60.65 58.45 2cqa h LYS 73 Cb 1.09 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.29 2cqa h LYS 73 CO 1.00 0.75 -0.32 0.00 -0.57 0.00 0.00 179.45 180.31 2cqa h ALA 74 N 1.22 0.05 0.00 3.86 0.00 -1.89 -3.06 119.26 119.43 2cqa h ALA 74 Ca 0.01 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2cqa h ALA 74 Cb 1.00 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2cqa h ALA 74 CO 0.08 -0.63 -1.72 -2.37 0.00 0.00 0.00 179.25 174.61 2cqa n THR 75 N -5.45 0.34 -0.80 0.00 5.66 -1.22 -5.02 114.28 107.79 2cqa n THR 75 Ca 0.06 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 2cqa n THR 75 Cb 0.36 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 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 1.92 1.10 3.72 1.09 0.00 0.41 -5.09 105.19 108.34 2cqa n GLY 76 Ca -0.10 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 2.61 -0.05 1.61 1.02 -0.79 -4.29 119.74 117.85 2cqa s LYS 77 Ca 0.00 -1.02 0.04 0.00 0.02 0.00 0.00 55.97 55.02 2cqa s LYS 77 Cb 0.00 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2cqa s LYS 77 CO 0.00 0.46 -0.18 0.42 -0.92 0.00 0.00 175.35 175.13 2cqa s ILE 78 N -1.76 2.71 -0.06 2.17 1.01 -1.26 -0.27 121.20 123.74 2cqa s ILE 78 Ca 0.29 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2cqa s ILE 78 Cb -0.10 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2cqa s ILE 78 CO 0.21 0.58 -0.18 -0.44 0.00 0.00 0.00 174.94 175.11 2cqa s SER 79 N -0.51 2.33 0.03 3.58 0.01 -1.11 -4.91 113.70 113.13 2cqa s SER 79 Ca 0.07 -0.40 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 2cqa s SER 79 Cb -0.11 -0.85 -0.06 0.00 0.21 0.00 0.00 66.02 65.20 2cqa s SER 79 CO 0.01 0.13 0.53 -0.75 0.41 0.00 0.00 173.24 173.58 2cqa s LYS 80 N 0.25 4.17 0.01 12.44 2.20 -1.26 -0.20 119.74 137.35 2cqa s LYS 80 Ca -0.10 0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2cqa s LYS 80 Cb -0.14 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2cqa s LYS 80 CO 0.04 0.56 -0.08 1.28 -0.36 0.00 0.00 175.35 176.79 2cqa n LEU 81 N 2.08 1.11 0.00 5.43 4.77 -1.04 -4.97 117.00 124.37 2cqa n LEU 81 Ca -0.10 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2cqa n LEU 81 Cb 0.51 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2cqa n LEU 81 CO 0.41 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2cqa n GLY 82 N 2.91 4.27 3.54 -0.72 0.00 -1.15 -4.99 105.19 109.05 2cqa n GLY 82 Ca -0.06 -1.44 -0.64 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.71 0.00 -3.51 1.61 0.63 -1.26 -4.10 116.66 108.31 2cqa n ARG 83 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2cqa n ARG 83 Cb 0.00 -1.43 -0.08 0.00 0.45 0.00 0.00 32.46 31.40 2cqa n ARG 83 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2cqa s SER 84 N 3.08 5.82 0.77 6.15 0.15 -1.26 -4.95 113.70 123.46 2cqa s SER 84 Ca 1.01 -2.04 -0.05 0.00 0.70 0.00 0.00 55.95 55.58 2cqa s SER 84 Cb -1.43 -2.04 0.13 0.00 -1.71 0.00 0.00 66.02 60.97 2cqa s SER 84 CO 0.77 -0.68 1.07 0.72 1.20 0.00 0.00 173.24 176.31 2cqa s PHE 85 N 1.18 1.76 -0.10 3.44 -0.71 -1.26 -5.10 117.98 117.19 2cqa s PHE 85 Ca 0.07 -0.06 -0.33 0.00 -1.04 0.00 0.00 56.93 55.58 2cqa s PHE 85 Cb -0.25 -3.27 0.13 0.00 -1.21 0.00 0.00 43.02 38.41 2cqa s PHE 85 CO -0.01 -1.88 1.19 -0.08 -1.34 0.00 0.00 175.22 173.10 2cqa s THR 86 N -3.32 0.00 0.89 -4.49 -1.32 -1.26 -5.16 115.64 100.99 2cqa s THR 86 Ca 0.67 -0.10 -0.16 0.00 -1.21 0.00 0.00 61.69 60.89 2cqa s THR 86 Cb -0.06 -1.35 -0.11 0.00 -1.51 0.00 0.00 72.50 69.48 2cqa s THR 86 CO 0.46 0.00 -0.37 0.54 -2.21 0.00 0.00 174.62 173.04 2cqa n ARG 87 N -0.24 -0.02 -4.19 7.08 3.00 -1.26 -4.98 116.66 116.05 2cqa n ARG 87 Ca -0.03 0.01 -0.29 0.00 -0.01 0.00 0.00 57.85 57.52 2cqa n ARG 87 Cb 0.60 -1.22 -0.09 0.00 0.00 0.00 0.00 32.46 31.75 2cqa n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cqa s ALA 88 N -2.06 3.10 -0.91 7.54 0.00 -1.26 -5.07 121.76 123.10 2cqa s ALA 88 Ca 0.48 -1.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2cqa s ALA 88 Cb -0.25 -1.01 0.22 0.00 0.00 0.00 0.00 23.12 22.09 2cqa s ALA 88 CO 0.75 0.64 0.90 0.50 0.00 0.00 0.00 175.76 178.56 2cqa s ARG 89 N -2.35 3.74 -0.04 0.00 3.52 -1.26 -5.02 118.95 117.54 2cqa s ARG 89 Ca 0.24 -2.54 -0.32 0.00 -0.13 0.00 0.00 55.73 52.97 2cqa s ARG 89 Cb -0.11 -4.53 -0.11 0.00 -1.56 0.00 0.00 34.95 28.64 2cqa s ARG 89 CO 0.16 -1.35 1.93 0.45 -0.81 0.00 0.00 175.30 175.68 2cqa n SER 90 N 4.07 3.76 -2.79 -2.12 2.88 -1.26 -4.93 113.62 113.22 2cqa n SER 90 Ca 0.18 0.93 -0.12 0.00 -1.33 0.00 0.00 58.87 58.53 2cqa n SER 90 Cb 0.46 -1.44 -0.01 0.00 -0.75 0.00 0.00 64.21 62.47 2cqa n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqa n GLY 91 N 4.50 1.74 3.55 0.46 0.00 -1.26 -5.09 105.19 109.09 2cqa n GLY 91 Ca 0.22 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2cqa n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqa s PRO 92 N -2.50 2.60 1.02 1.61 0.04 -1.26 -4.97 135.00 131.54 2cqa s PRO 92 Ca 0.23 0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.36 2cqa s PRO 92 Cb -0.02 -4.66 0.08 0.00 0.04 0.00 0.00 34.50 29.94 2cqa s PRO 92 CO 0.16 -2.99 0.36 0.43 0.04 0.00 0.00 177.00 175.00 2cqa n SER 93 N 13.23 -2.00 -4.49 6.66 7.64 -1.26 -4.72 113.62 128.69 2cqa n SER 93 Ca 0.28 0.16 -0.47 0.00 1.01 0.00 0.00 58.87 59.86 2cqa n SER 93 Cb 0.50 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2cqa n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cqa n SER 94 N -1.84 2.28 0.00 6.43 2.88 -1.26 -5.33 113.62 116.79 2cqa n SER 94 Ca 0.05 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2cqa n SER 94 Cb 0.56 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42