#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 5.16 -0.17 1.61 1.04 -1.26 -5.08 113.70 115.00 2cqa s SER 2 Ca 0.00 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.80 2cqa s SER 2 Cb 0.00 -1.90 0.02 0.00 0.10 0.00 0.00 66.02 64.24 2cqa s SER 2 CO 0.00 -0.18 -0.20 -0.44 0.98 0.00 0.00 173.24 173.40 2cqa s SER 3 N 1.52 3.14 0.24 7.02 0.01 -1.26 -5.12 113.70 119.25 2cqa s SER 3 Ca 0.03 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2cqa s SER 3 Cb -0.17 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.58 2cqa s SER 3 CO 0.03 0.02 0.01 0.61 0.41 0.00 0.00 173.24 174.32 2cqa n GLY 4 N 4.50 3.86 3.97 3.44 0.00 -1.26 -5.16 105.19 114.55 2cqa n GLY 4 Ca -0.21 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.36 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 -2.34 6.27 0.05 1.61 1.04 -1.26 -5.12 113.70 113.95 2cqa s SER 5 Ca 0.02 0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.58 2cqa s SER 5 Cb 0.00 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 2cqa s SER 5 CO 0.01 -0.13 -0.23 -0.44 0.98 0.00 0.00 173.24 173.42 2cqa s SER 6 N -4.01 2.81 -0.13 7.02 0.01 -1.26 -5.08 113.70 113.07 2cqa s SER 6 Ca 0.36 -0.57 -0.07 0.00 1.31 0.00 0.00 55.95 56.98 2cqa s SER 6 Cb -0.09 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2cqa s SER 6 CO 0.30 0.20 0.13 -0.83 0.41 0.00 0.00 173.24 173.45 2cqa s GLY 7 N -1.29 2.13 0.20 3.44 0.00 -1.26 -5.00 107.32 105.54 2cqa s GLY 7 Ca 0.10 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 2cqa s GLY 7 CO 0.02 -0.33 1.70 1.70 0.00 0.00 0.00 173.10 176.19 2cqa h LYS 8 N 5.18 0.22 -1.25 2.90 1.63 -2.05 -2.02 116.57 121.16 2cqa h LYS 8 Ca -0.53 -0.01 -0.65 0.00 -0.85 0.00 0.00 60.65 58.61 2cqa h LYS 8 Cb 1.22 -0.05 -0.35 0.00 -0.60 0.00 0.00 32.23 32.45 2cqa h LYS 8 CO 0.60 0.14 0.14 -1.91 -3.45 0.00 0.00 179.45 174.97 2cqa n GLU 9 N -5.15 3.10 -3.69 1.90 2.13 -1.26 -4.94 120.64 112.74 2cqa n GLU 9 Ca 0.08 -3.82 -0.16 0.00 0.66 0.00 0.00 57.16 53.92 2cqa n GLU 9 Cb 0.30 -2.28 -0.15 0.00 0.27 0.00 0.00 31.44 29.58 2cqa n GLU 9 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2cqa s GLU 10 N -3.77 0.05 0.00 5.31 8.01 -0.76 -5.01 118.70 122.53 2cqa s GLU 10 Ca 0.55 0.51 0.26 0.00 0.01 0.00 0.00 54.97 56.30 2cqa s GLU 10 Cb 0.45 -0.25 0.75 0.00 -4.31 0.00 0.00 34.13 30.76 2cqa s GLU 10 CO -0.12 -0.27 1.57 0.25 0.01 0.00 0.00 175.26 176.69 2cqa n THR 11 N 5.03 0.00 -3.49 3.63 -2.24 -1.26 -4.22 114.28 111.73 2cqa n THR 11 Ca -0.10 -0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 2cqa n THR 11 Cb 0.50 0.24 0.08 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.04 -7.22 -3.81 -0.78 4.71 -1.26 -4.86 120.64 106.37 2cqa n GLU 12 Ca 0.10 0.79 -0.12 0.00 -0.01 0.00 0.00 57.16 57.91 2cqa n GLU 12 Cb 0.33 -5.70 -0.12 0.00 -1.01 0.00 0.00 31.44 24.94 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2cqa s ILE 13 N -3.31 0.00 -0.09 -3.67 1.01 -1.26 -0.73 121.20 113.15 2cqa s ILE 13 Ca 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 2cqa s ILE 13 Cb -0.18 -0.25 0.03 0.00 0.01 0.00 0.00 42.46 42.06 2cqa s ILE 13 CO 0.69 -0.01 -0.04 -0.63 0.00 0.00 0.00 174.94 174.95 2cqa s ILE 14 N 0.04 0.71 0.01 2.92 1.01 -0.81 -4.97 121.20 120.10 2cqa s ILE 14 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2cqa s ILE 14 Cb -0.01 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 2cqa s ILE 14 CO 0.00 0.31 -0.16 -0.70 0.00 0.00 0.00 174.94 174.39 2cqa s GLU 15 N 1.71 2.26 0.29 2.79 2.12 -1.26 -1.59 118.70 125.02 2cqa s GLU 15 Ca 0.03 -0.86 -0.20 0.00 0.36 0.00 0.00 54.97 54.30 2cqa s GLU 15 Cb -0.13 -2.27 0.05 0.00 0.26 0.00 0.00 34.13 32.04 2cqa s GLU 15 CO -0.06 0.57 0.83 0.20 -0.54 0.00 0.00 175.26 176.26 2cqa s GLY 16 N -1.18 0.10 -0.53 -1.50 0.00 -1.22 -4.69 107.32 98.30 2cqa s GLY 16 Ca 0.14 -0.43 -0.22 0.00 0.00 0.00 0.00 44.72 44.21 2cqa s GLY 16 CO 0.04 0.19 0.80 1.85 0.00 0.00 0.00 173.10 175.98 2cqa s GLU 17 N -2.93 3.24 -0.72 2.90 2.12 -1.24 -2.92 118.70 119.14 2cqa s GLU 17 Ca 0.14 -0.55 -0.36 0.00 0.36 0.00 0.00 54.97 54.57 2cqa s GLU 17 Cb -0.04 -4.07 -0.20 0.00 0.26 0.00 0.00 34.13 30.07 2cqa s GLU 17 CO 0.08 -1.37 2.34 0.28 -0.54 0.00 0.00 175.26 176.04 2cqa n VAL 18 N 5.94 0.00 -0.09 3.70 0.31 0.00 -3.44 118.33 124.75 2cqa n VAL 18 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 2cqa n VAL 18 Cb 0.47 -0.48 -0.06 0.00 -0.91 0.00 0.00 33.84 32.85 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 6.76 1.48 -3.86 2.52 0.31 0.90 -1.94 118.33 124.49 2cqa n VAL 19 Ca 0.58 0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.88 2cqa n VAL 19 Cb -0.01 -2.21 -0.12 0.00 -0.91 0.00 0.00 33.84 30.59 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 -2.33 0.21 -0.38 5.55 2.12 -1.18 -4.83 118.70 117.86 2cqa s GLU 20 Ca -0.23 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.04 2cqa s GLU 20 Cb 0.04 0.09 0.12 0.00 0.26 0.00 0.00 34.13 34.64 2cqa s GLU 20 CO 0.41 -0.04 0.16 0.42 -0.54 0.00 0.00 175.26 175.67 2cqa s ILE 21 N -0.42 1.34 0.13 -3.70 1.01 -1.26 -0.87 121.20 117.42 2cqa s ILE 21 Ca -0.05 -2.09 -0.19 0.00 0.00 0.00 0.00 60.65 58.32 2cqa s ILE 21 Cb -0.03 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 2cqa s ILE 21 CO 0.00 -0.77 0.61 -1.10 0.00 0.00 0.00 174.94 173.69 2cqa s GLN 22 N 0.91 4.19 -0.03 2.79 1.11 0.87 -4.95 119.66 124.54 2cqa s GLN 22 Ca 0.14 0.74 0.01 0.00 0.01 0.00 0.00 55.36 56.26 2cqa s GLN 22 Cb -0.21 -3.09 0.02 0.00 -1.01 0.00 0.00 33.01 28.72 2cqa s GLN 22 CO -0.11 0.54 -0.05 0.42 0.01 0.00 0.00 175.29 176.10 2cqa s ILE 23 N -1.29 0.53 -0.15 1.08 -1.09 -1.26 -0.29 121.20 118.73 2cqa s ILE 23 Ca 0.35 -0.16 -0.15 0.00 -2.23 0.00 0.00 60.65 58.46 2cqa s ILE 23 Cb -0.18 -0.53 -0.05 0.00 -1.58 0.00 0.00 42.46 40.13 2cqa s ILE 23 CO 0.20 0.20 0.34 -0.62 -1.23 0.00 0.00 174.94 173.83 2cqa s ASP 24 N 0.62 6.49 0.07 3.58 2.15 0.48 -4.99 116.67 125.08 2cqa s ASP 24 Ca -0.08 0.58 -0.02 0.00 0.43 0.00 0.00 52.55 53.46 2cqa s ASP 24 Cb -0.12 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.25 2cqa s ASP 24 CO 0.00 0.08 0.25 -0.13 -0.17 0.00 0.00 175.17 175.20 2cqa s ARG 25 N 0.49 3.50 0.00 4.34 3.00 -1.26 -4.34 118.95 124.67 2cqa s ARG 25 Ca 0.19 -0.32 0.14 0.00 0.00 0.00 0.00 55.73 55.74 2cqa s ARG 25 Cb -0.13 -3.00 0.62 0.00 0.00 0.00 0.00 34.95 32.44 2cqa s ARG 25 CO 0.05 0.58 1.45 -0.35 0.00 0.00 0.00 175.30 177.03 2cqa n PRO 26 N 0.34 0.02 -0.34 3.54 -0.04 -1.26 -3.86 135.00 133.40 2cqa n PRO 26 Ca -0.05 0.25 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2cqa n PRO 26 Cb 0.51 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2cqa n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqa n ALA 27 N -1.48 -0.24 -0.10 0.55 0.00 -1.26 -1.11 120.51 116.87 2cqa n ALA 27 Ca 0.04 0.83 -0.16 0.00 0.00 0.00 0.00 53.44 54.15 2cqa n ALA 27 Cb 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 2cqa n ALA 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cqa n THR 28 N -5.23 1.49 -3.36 0.00 -2.24 -1.25 -4.71 114.28 98.99 2cqa n THR 28 Ca 0.07 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 2cqa n THR 28 Cb 0.31 -2.17 -0.04 0.00 -2.10 0.00 0.00 70.33 66.33 2cqa n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 29 N 1.45 4.67 3.77 3.38 0.00 -1.18 -5.06 105.19 112.23 2cqa n GLY 29 Ca -0.26 -2.67 -0.36 0.00 0.00 0.00 0.00 46.02 42.73 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cqa s THR 30 N -2.17 2.99 0.00 2.61 -1.32 -0.27 -4.45 115.64 113.04 2cqa s THR 30 Ca 0.32 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 2cqa s THR 30 Cb 0.03 -3.31 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 2cqa s THR 30 CO -0.02 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2cqa n GLY 31 N 0.36 0.54 3.61 6.08 0.00 -1.26 -5.03 105.19 109.49 2cqa n GLY 31 Ca 0.10 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2cqa n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqa s SER 32 N -4.00 6.41 0.35 1.61 1.04 -1.26 -5.04 113.70 112.81 2cqa s SER 32 Ca 0.00 0.42 -0.28 0.00 0.48 0.00 0.00 55.95 56.57 2cqa s SER 32 Cb 0.00 -2.28 -0.12 0.00 0.10 0.00 0.00 66.02 63.72 2cqa s SER 32 CO 0.00 -0.32 1.36 0.29 0.98 0.00 0.00 173.24 175.55 2cqa n LYS 33 N 5.58 2.31 -3.81 4.02 5.02 -1.26 -5.01 118.16 125.01 2cqa n LYS 33 Ca -0.04 0.81 -0.13 0.00 -2.02 0.00 0.00 58.31 56.93 2cqa n LYS 33 Cb 0.50 -2.44 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 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 -1.04 0.00 0.14 -0.18 -7.23 -1.18 -3.70 120.40 107.21 2cqa s VAL 34 Ca 0.55 -0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.56 2cqa s VAL 34 Cb -0.54 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.13 2cqa s VAL 34 CO 0.62 -0.01 0.37 -0.83 -0.31 0.00 0.00 175.10 174.93 2cqa s GLY 35 N 0.05 -0.00 0.13 2.32 0.00 -1.24 -0.39 107.32 108.19 2cqa s GLY 35 Ca -0.01 -0.38 0.11 0.00 0.00 0.00 0.00 44.72 44.44 2cqa s GLY 35 CO 0.00 -0.50 -0.26 1.25 0.00 0.00 0.00 173.10 173.59 2cqa s LYS 36 N -3.87 1.36 0.02 2.90 2.47 0.60 0.44 119.74 123.66 2cqa s LYS 36 Ca 0.08 -1.32 0.01 0.00 -1.56 0.00 0.00 55.97 53.17 2cqa s LYS 36 Cb 0.02 -1.81 -0.01 0.00 -1.46 0.00 0.00 37.83 34.57 2cqa s LYS 36 CO -0.07 0.43 -0.04 -1.17 0.16 0.00 0.00 175.35 174.65 2cqa s LEU 37 N -2.06 2.15 -0.08 5.43 2.96 -0.12 -0.09 118.68 126.86 2cqa s LEU 37 Ca 0.13 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2cqa s LEU 37 Cb -0.10 -0.09 0.01 0.00 0.50 0.00 0.00 46.19 46.52 2cqa s LEU 37 CO 0.06 -0.13 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.94 2cqa s THR 38 N -0.85 1.24 -0.06 3.68 2.01 -0.05 -0.08 115.64 121.53 2cqa s THR 38 Ca -0.07 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.43 2cqa s THR 38 Cb -0.06 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.33 2cqa s THR 38 CO -0.00 0.38 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.47 2cqa s LEU 39 N 0.83 1.47 -0.57 4.42 1.02 -0.96 -0.07 118.68 124.82 2cqa s LEU 39 Ca -0.11 -0.22 -0.19 0.00 0.02 0.00 0.00 54.13 53.63 2cqa s LEU 39 Cb -0.15 -0.65 0.09 0.00 0.02 0.00 0.00 46.19 45.50 2cqa s LEU 39 CO 0.02 -0.02 0.68 -0.75 0.02 0.00 0.00 176.35 176.30 2cqa s LYS 40 N 0.84 3.06 0.08 1.70 2.20 -1.22 -1.97 119.74 124.42 2cqa s LYS 40 Ca -0.12 -1.23 0.04 0.00 -0.36 0.00 0.00 55.97 54.30 2cqa s LYS 40 Cb -0.15 -4.23 -0.03 0.00 -1.51 0.00 0.00 37.83 31.91 2cqa s LYS 40 CO 0.01 -1.45 -0.11 -0.08 -0.36 0.00 0.00 175.35 173.36 2cqa s THR 41 N 2.63 0.95 -1.31 3.43 -1.32 -0.29 -3.58 115.64 116.15 2cqa s THR 41 Ca 0.12 -1.43 -0.14 0.00 -1.21 0.00 0.00 61.69 59.03 2cqa s THR 41 Cb -0.23 -1.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.62 2cqa s THR 41 CO 0.07 -0.41 0.52 0.41 -2.21 0.00 0.00 174.62 173.00 2cqa n THR 42 N 0.96 -3.47 -1.87 5.08 -1.04 -1.26 0.77 114.28 113.46 2cqa n THR 42 Ca -0.19 -0.66 -0.06 0.00 -2.04 0.00 0.00 64.05 61.10 2cqa n THR 42 Cb 0.56 -2.80 -0.01 0.00 -1.82 0.00 0.00 70.33 66.25 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 -4.52 -1.92 -3.68 -2.82 1.02 -1.26 -4.87 120.64 102.60 2cqa n GLU 43 Ca -0.21 0.33 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 2cqa n GLU 43 Cb 0.63 -4.68 -0.14 0.00 -0.02 0.00 0.00 31.44 27.23 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 -3.85 0.10 -0.35 3.49 1.75 0.23 -5.13 119.30 115.54 2cqa s MET 44 Ca 0.00 0.63 -0.13 0.00 -1.25 0.00 0.00 55.69 54.94 2cqa s MET 44 Cb 0.00 -0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.51 2cqa s MET 44 CO 0.00 -0.28 0.26 -2.00 -0.65 0.00 0.00 175.02 172.36 2cqa s GLU 45 N 2.20 3.41 0.08 4.11 2.12 -1.26 -1.14 118.70 128.22 2cqa s GLU 45 Ca 0.01 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.68 2cqa s GLU 45 Cb -0.12 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2cqa s GLU 45 CO -0.07 -0.51 0.07 0.99 -0.54 0.00 0.00 175.26 175.20 2cqa s THR 46 N 1.75 4.48 -0.47 -1.70 2.01 -0.83 -4.91 115.64 115.96 2cqa s THR 46 Ca 0.07 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 2cqa s THR 46 Cb -0.18 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.27 2cqa s THR 46 CO 0.11 0.14 0.37 -0.63 -0.69 0.00 0.00 174.62 173.91 2cqa s ILE 47 N -1.37 4.91 -0.01 1.82 1.01 -1.26 -2.27 121.20 124.03 2cqa s ILE 47 Ca 0.29 -1.24 -0.26 0.00 0.00 0.00 0.00 60.65 59.44 2cqa s ILE 47 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2cqa s ILE 47 CO 0.21 -0.60 0.82 -0.31 0.00 0.00 0.00 174.94 175.06 2cqa s TYR 48 N 1.57 3.65 0.05 3.97 2.02 0.89 -4.88 117.35 124.61 2cqa s TYR 48 Ca 0.04 1.47 -0.22 0.00 -0.37 0.00 0.00 57.07 57.98 2cqa s TYR 48 Cb -0.25 -2.92 -0.06 0.00 -0.40 0.00 0.00 41.96 38.33 2cqa s TYR 48 CO 0.05 0.10 0.67 0.34 -1.57 0.00 0.00 175.55 175.14 2cqa s ASP 49 N 0.64 7.12 0.46 2.29 2.15 -1.26 -0.95 116.67 127.13 2cqa s ASP 49 Ca 0.43 1.34 0.07 0.00 0.43 0.00 0.00 52.55 54.82 2cqa s ASP 49 Cb -0.20 -2.42 -0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2cqa s ASP 49 CO 0.23 0.11 0.38 -0.76 -0.17 0.00 0.00 175.17 174.97 2cqa s LEU 50 N -0.41 3.15 0.00 -1.34 1.43 0.17 -4.96 118.68 116.71 2cqa s LEU 50 Ca 0.34 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2cqa s LEU 50 Cb -0.20 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2cqa s LEU 50 CO 0.21 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2cqa n GLY 51 N -1.61 2.18 0.91 -3.19 0.00 -1.26 -3.66 105.19 98.56 2cqa n GLY 51 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.08 2.61 -1.04 -1.24 -3.12 114.28 111.41 2cqa n THR 52 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2cqa n THR 52 Cb 0.00 -1.02 -0.04 0.00 -1.82 0.00 0.00 70.33 67.45 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 0.00 0.88 -0.26 -2.82 6.56 -1.96 -2.02 116.57 116.95 2cqa h LYS 53 Ca 0.00 -0.56 -0.01 0.00 -1.06 0.00 0.00 60.65 59.02 2cqa h LYS 53 Cb 0.75 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.47 2cqa h LYS 53 CO 0.00 1.20 0.14 0.52 -2.06 0.00 0.00 179.45 179.25 2cqa h MET 54 N 0.67 0.37 -0.36 3.15 2.86 -1.87 -3.00 114.93 116.74 2cqa h MET 54 Ca 0.01 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2cqa h MET 54 Cb 1.16 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2cqa h MET 54 CO 0.12 0.32 0.09 0.82 1.06 0.00 0.00 176.91 179.33 2cqa h ILE 55 N 0.31 1.22 -1.33 -1.22 2.04 -1.81 -2.62 117.51 114.10 2cqa h ILE 55 Ca 0.09 -0.75 0.39 0.00 1.00 0.00 0.00 64.86 65.59 2cqa h ILE 55 Cb 0.07 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2cqa h ILE 55 CO -0.01 0.26 1.11 -0.33 0.00 0.00 0.00 178.15 179.17 2cqa h GLU 56 N 0.43 0.00 0.06 2.37 4.39 -1.22 0.41 114.58 121.03 2cqa h GLU 56 Ca 0.11 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 2cqa h GLU 56 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2cqa h GLU 56 CO 0.00 0.00 -0.80 0.77 -1.16 0.00 0.00 179.01 177.82 2cqa h SER 57 N 0.00 0.20 0.00 1.42 0.02 -1.47 -3.23 113.55 110.49 2cqa h SER 57 Ca 0.63 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2cqa h SER 57 Cb 2.85 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.33 2cqa h SER 57 CO -0.01 1.35 0.14 0.18 -1.14 0.00 0.00 176.83 177.35 2cqa n LEU 58 N -4.29 0.32 -0.01 5.07 4.77 0.14 -0.96 117.00 122.03 2cqa n LEU 58 Ca -0.19 0.58 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 2cqa n LEU 58 Cb 0.70 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2cqa n LEU 58 CO 0.36 -0.69 -0.77 0.35 -1.33 0.00 0.00 177.39 175.31 2cqa n THR 59 N -1.93 1.75 -0.03 -5.08 -2.24 -0.79 -1.42 114.28 104.53 2cqa n THR 59 Ca -0.01 -0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 61.12 2cqa n THR 59 Cb 0.16 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.57 2cqa n THR 59 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2cqa h LYS 60 N -0.10 0.05 -0.01 -0.78 1.79 -1.07 -1.77 116.57 114.68 2cqa h LYS 60 Ca -0.42 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2cqa h LYS 60 Cb 1.92 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.56 2cqa h LYS 60 CO 0.04 0.03 -0.03 -0.25 -1.08 0.00 0.00 179.45 178.16 2cqa n ASP 61 N -5.14 1.35 -3.99 0.86 8.00 -1.08 -4.94 116.55 111.61 2cqa n ASP 61 Ca -0.03 -1.38 -0.26 0.00 0.71 0.00 0.00 54.79 53.83 2cqa n ASP 61 Cb 0.10 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.00 -3.10 -1.48 -1.24 5.02 -0.67 -4.85 118.16 111.84 2cqa n LYS 62 Ca 0.18 0.38 -0.38 0.00 -2.02 0.00 0.00 58.31 56.47 2cqa n LYS 62 Cb 0.34 -4.46 0.05 0.00 -0.02 0.00 0.00 35.03 30.94 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cqa n VAL 63 N -4.42 2.57 -3.86 -0.18 0.31 -0.51 -5.01 118.33 107.24 2cqa n VAL 63 Ca -0.31 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 63.44 2cqa n VAL 63 Cb 0.69 -0.80 -0.04 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.34 1.44 0.44 5.55 -0.21 -1.26 -5.00 119.66 118.28 2cqa s GLN 64 Ca 0.70 -1.03 -0.25 0.00 0.02 0.00 0.00 55.36 54.80 2cqa s GLN 64 Cb -0.42 0.50 -0.08 0.00 1.00 0.00 0.00 33.01 34.00 2cqa s GLN 64 CO 0.53 -0.61 1.39 0.00 -2.12 0.00 0.00 175.29 174.49 2cqa s ALA 65 N -3.93 3.25 0.00 6.09 0.00 -1.26 -3.02 121.76 122.88 2cqa s ALA 65 Ca 0.14 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2cqa s ALA 65 Cb -0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2cqa s ALA 65 CO 0.02 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2cqa n GLY 66 N 0.60 2.27 3.92 0.00 0.00 -0.82 -5.03 105.19 106.13 2cqa n GLY 66 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 0.32 6.38 -0.32 1.61 1.01 -1.17 -4.78 116.67 119.72 2cqa s ASP 67 Ca 0.00 0.55 -0.10 0.00 0.71 0.00 0.00 52.55 53.71 2cqa s ASP 67 Cb 0.00 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 2cqa s ASP 67 CO 0.00 -0.19 0.18 -0.69 0.21 0.00 0.00 175.17 174.68 2cqa s VAL 68 N -2.11 4.75 -0.00 -1.27 1.01 -1.25 -0.82 120.40 120.71 2cqa s VAL 68 Ca 0.41 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2cqa s VAL 68 Cb -0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2cqa s VAL 68 CO 0.32 0.02 -0.16 0.27 0.00 0.00 0.00 175.10 175.55 2cqa s ILE 69 N 1.63 2.92 0.45 2.22 -5.25 -1.15 -0.62 121.20 121.40 2cqa s ILE 69 Ca 0.05 -0.97 0.03 0.00 -0.99 0.00 0.00 60.65 58.77 2cqa s ILE 69 Cb -0.17 -2.19 0.01 0.00 2.95 0.00 0.00 42.46 43.06 2cqa s ILE 69 CO 0.07 0.46 0.64 0.42 -1.79 0.00 0.00 174.94 174.74 2cqa s THR 70 N -0.84 3.56 -0.19 8.37 -4.23 0.17 -3.45 115.64 119.03 2cqa s THR 70 Ca 0.13 -0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 59.89 2cqa s THR 70 Cb -0.11 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.52 2cqa s THR 70 CO 0.03 -0.17 0.13 -0.63 -0.54 0.00 0.00 174.62 173.44 2cqa s ILE 71 N -2.50 -0.15 -0.52 2.99 1.01 -0.62 -2.09 121.20 119.32 2cqa s ILE 71 Ca 0.51 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.74 2cqa s ILE 71 Cb -0.10 -0.62 0.04 0.00 0.01 0.00 0.00 42.46 41.79 2cqa s ILE 71 CO 0.36 -0.29 0.85 -1.81 0.00 0.00 0.00 174.94 174.05 2cqa s ASP 72 N 2.19 6.34 0.23 3.58 1.11 -0.36 -1.92 116.67 127.83 2cqa s ASP 72 Ca 0.04 -0.38 -0.04 0.00 0.18 0.00 0.00 52.55 52.34 2cqa s ASP 72 Cb -0.16 -2.40 0.24 0.00 1.07 0.00 0.00 42.92 41.68 2cqa s ASP 72 CO -0.11 -1.09 1.72 0.11 1.18 0.00 0.00 175.17 176.98 2cqa h LYS 73 N 9.17 0.90 -0.29 8.23 1.57 -1.23 2.07 116.57 137.00 2cqa h LYS 73 Ca -0.26 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 2cqa h LYS 73 Cb 1.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2cqa h LYS 73 CO 1.04 0.89 0.09 0.00 -0.57 0.00 0.00 179.45 180.89 2cqa h ALA 74 N 1.17 0.38 0.00 3.86 0.00 -1.89 -2.98 119.26 119.80 2cqa h ALA 74 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cqa h ALA 74 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2cqa h ALA 74 CO 0.02 0.01 -0.66 0.25 0.00 0.00 0.00 179.25 178.87 2cqa n THR 75 N -4.71 0.12 -3.28 0.00 -2.24 -1.15 -4.96 114.28 98.06 2cqa n THR 75 Ca -0.02 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 2cqa n THR 75 Cb 0.16 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.43 -0.52 3.41 3.38 0.00 0.70 -4.98 105.19 108.61 2cqa n GLY 76 Ca 0.04 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.96 1.49 -0.16 1.61 -0.14 -0.95 -4.63 119.74 110.99 2cqa s LYS 77 Ca 0.41 -1.62 0.01 0.00 -1.36 0.00 0.00 55.97 53.41 2cqa s LYS 77 Cb -0.19 -1.55 0.01 0.00 -1.68 0.00 0.00 37.83 34.41 2cqa s LYS 77 CO 0.50 0.30 -0.18 0.42 -0.76 0.00 0.00 175.35 175.63 2cqa s ILE 78 N -2.38 2.37 -0.06 2.17 1.01 -1.26 -1.23 121.20 121.82 2cqa s ILE 78 Ca 0.24 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2cqa s ILE 78 Cb -0.05 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2cqa s ILE 78 CO 0.11 0.53 -0.13 -0.44 0.00 0.00 0.00 174.94 175.00 2cqa s SER 79 N 0.94 4.11 -0.07 3.58 0.01 -0.89 -4.76 113.70 116.63 2cqa s SER 79 Ca -0.03 -0.19 -0.12 0.00 1.31 0.00 0.00 55.95 56.91 2cqa s SER 79 Cb -0.15 -1.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 2cqa s SER 79 CO -0.03 0.32 0.31 -0.75 0.41 0.00 0.00 173.24 173.50 2cqa s LYS 80 N -0.58 3.86 0.52 12.44 2.20 -1.26 0.41 119.74 137.33 2cqa s LYS 80 Ca 0.08 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 2cqa s LYS 80 Cb -0.11 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2cqa s LYS 80 CO 0.01 0.62 0.03 -0.51 -0.36 0.00 0.00 175.35 175.14 2cqa s LEU 81 N -0.72 2.29 0.00 5.43 1.43 0.21 -4.94 118.68 122.39 2cqa s LEU 81 Ca 0.20 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 2cqa s LEU 81 Cb -0.15 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.32 2cqa s LEU 81 CO 0.09 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.39 2cqa n GLY 82 N -1.31 1.10 2.91 -3.19 0.00 -1.26 -4.09 105.19 99.34 2cqa n GLY 82 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2cqa n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqa s ARG 83 N 0.00 1.10 1.00 1.61 3.00 -1.26 -3.85 118.95 120.54 2cqa s ARG 83 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 55.73 55.45 2cqa s ARG 83 Cb 0.00 -1.10 0.19 0.00 0.00 0.00 0.00 34.95 34.05 2cqa s ARG 83 CO 0.00 -0.12 1.09 -1.12 0.00 0.00 0.00 175.30 175.15 2cqa s SER 84 N 1.13 2.32 0.27 0.23 0.01 -1.26 -4.89 113.70 111.52 2cqa s SER 84 Ca -0.07 1.81 -0.00 0.00 1.31 0.00 0.00 55.95 59.00 2cqa s SER 84 Cb -0.14 -2.41 0.59 0.00 0.21 0.00 0.00 66.02 64.27 2cqa s SER 84 CO -0.01 -3.41 1.71 -0.26 0.41 0.00 0.00 173.24 171.67 2cqa h PHE 85 N -2.08 0.54 -3.32 2.43 -1.00 -2.04 -3.42 116.94 108.04 2cqa h PHE 85 Ca -0.51 0.04 -0.44 0.00 2.81 0.00 0.00 57.97 59.86 2cqa h PHE 85 Cb 1.29 -0.11 0.21 0.00 3.61 0.00 0.00 35.95 40.96 2cqa h PHE 85 CO 0.40 -0.02 0.02 -0.08 -1.61 0.00 0.00 178.31 177.03 2cqa s THR 86 N -5.96 2.01 -0.83 -1.55 -1.32 -1.26 -4.84 115.64 101.89 2cqa s THR 86 Ca -0.12 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.11 2cqa s THR 86 Cb 0.23 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 69.19 2cqa s THR 86 CO 0.77 -0.00 1.73 -0.60 -2.21 0.00 0.00 174.62 174.30 2cqa s ARG 87 N -4.44 2.88 0.84 7.08 6.06 -1.26 -4.97 118.95 125.14 2cqa s ARG 87 Ca 0.69 -0.22 -0.11 0.00 -2.50 0.00 0.00 55.73 53.58 2cqa s ARG 87 Cb -0.25 -4.83 0.10 0.00 0.06 0.00 0.00 34.95 30.03 2cqa s ARG 87 CO 0.64 -2.79 1.09 0.00 -2.50 0.00 0.00 175.30 171.75 2cqa s ALA 88 N 8.14 1.84 0.10 6.12 0.00 -1.26 -4.88 121.76 131.81 2cqa s ALA 88 Ca 0.59 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 2cqa s ALA 88 Cb -0.07 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.63 2cqa s ALA 88 CO 0.05 -2.14 0.66 -2.13 0.00 0.00 0.00 175.76 172.20 2cqa n ARG 89 N -3.76 0.00 -3.67 0.00 3.00 -1.26 -4.96 116.66 106.00 2cqa n ARG 89 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.85 2cqa n ARG 89 Cb 0.54 -1.06 -0.09 0.00 0.00 0.00 0.00 32.46 31.85 2cqa n ARG 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2cqa s SER 90 N -0.49 -0.72 -0.05 6.15 1.04 -1.26 -5.17 113.70 113.20 2cqa s SER 90 Ca 0.66 1.21 -0.31 0.00 0.48 0.00 0.00 55.95 57.99 2cqa s SER 90 Cb -0.94 1.14 0.12 0.00 0.10 0.00 0.00 66.02 66.44 2cqa s SER 90 CO 0.49 -0.22 1.35 -0.83 0.98 0.00 0.00 173.24 175.01 2cqa s GLY 91 N 1.63 -0.36 0.00 7.32 0.00 -1.26 -4.99 107.32 109.65 2cqa s GLY 91 Ca -0.09 0.59 0.15 0.00 0.00 0.00 0.00 44.72 45.37 2cqa s GLY 91 CO -0.16 1.98 1.38 -1.55 0.00 0.00 0.00 173.10 174.75 2cqa n PRO 92 N -0.63 0.32 -1.43 2.90 -0.04 -1.26 -4.86 135.00 129.99 2cqa n PRO 92 Ca -0.05 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 2cqa n PRO 92 Cb 0.62 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2cqa n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqa n SER 93 N -1.17 -1.01 -3.66 3.54 7.64 -1.26 -4.92 113.62 112.77 2cqa n SER 93 Ca 0.09 0.97 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 2cqa n SER 93 Cb 0.09 -1.07 0.28 0.00 -1.01 0.00 0.00 64.21 62.51 2cqa n SER 93 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqa s SER 94 N -0.92 -0.68 0.00 6.43 1.04 -1.26 -5.20 113.70 113.11 2cqa s SER 94 Ca 0.62 0.99 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2cqa s SER 94 Cb -0.68 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2cqa s SER 94 CO 0.59 -5.15 0.00 0.61 0.98 0.00 0.00 173.24 170.27