#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 5.53 -0.21 1.61 0.15 -1.26 -5.00 113.70 114.51 2cqa s SER 2 Ca 0.00 2.87 0.01 0.00 0.70 0.00 0.00 55.95 59.53 2cqa s SER 2 Cb 0.00 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 2cqa s SER 2 CO 0.00 -1.41 -0.15 -0.44 1.20 0.00 0.00 173.24 172.45 2cqa s SER 3 N -0.71 3.71 0.00 5.45 0.01 -1.26 -4.73 113.70 116.17 2cqa s SER 3 Ca 0.67 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2cqa s SER 3 Cb -0.43 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2cqa s SER 3 CO 0.53 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2cqa n GLY 4 N 4.59 0.53 3.54 3.44 0.00 -1.26 -4.94 105.19 111.08 2cqa n GLY 4 Ca -0.18 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 2cqa n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqa n SER 5 N -0.62 2.59 -3.91 1.61 2.88 -1.26 -4.84 113.62 110.07 2cqa n SER 5 Ca 0.00 -2.65 -0.30 0.00 -1.33 0.00 0.00 58.87 54.59 2cqa n SER 5 Cb 0.29 -1.65 -0.16 0.00 -0.75 0.00 0.00 64.21 61.94 2cqa n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqa s SER 6 N 6.82 3.87 0.00 -3.46 0.01 -1.26 -4.97 113.70 114.71 2cqa s SER 6 Ca 0.70 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2cqa s SER 6 Cb 0.00 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2cqa s SER 6 CO 0.15 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2cqa n GLY 7 N 4.69 -1.63 2.77 3.44 0.00 -1.26 -5.11 105.19 108.08 2cqa n GLY 7 Ca -0.09 0.72 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 0.24 -0.35 1.61 -0.14 -1.26 -5.12 119.74 114.72 2cqa s LYS 8 Ca 0.00 0.16 -0.07 0.00 -1.36 0.00 0.00 55.97 54.70 2cqa s LYS 8 Cb 0.00 -1.00 0.05 0.00 -1.68 0.00 0.00 37.83 35.20 2cqa s LYS 8 CO 0.00 -0.74 0.13 -1.83 -0.76 0.00 0.00 175.35 172.15 2cqa s GLU 9 N 2.36 2.58 -0.38 1.68 -1.05 -1.26 -5.07 118.70 117.56 2cqa s GLU 9 Ca 0.08 -1.26 -0.12 0.00 -0.15 0.00 0.00 54.97 53.52 2cqa s GLU 9 Cb -0.15 -3.51 0.02 0.00 -0.44 0.00 0.00 34.13 30.04 2cqa s GLU 9 CO -0.18 -0.73 0.23 -1.83 0.95 0.00 0.00 175.26 173.70 2cqa s GLU 10 N 1.39 2.93 0.07 -4.83 -1.05 -1.26 -5.08 118.70 110.87 2cqa s GLU 10 Ca -0.00 -1.02 0.02 0.00 -0.15 0.00 0.00 54.97 53.82 2cqa s GLU 10 Cb -0.20 -3.80 -0.04 0.00 -0.44 0.00 0.00 34.13 29.65 2cqa s GLU 10 CO 0.02 -0.68 0.10 0.99 0.95 0.00 0.00 175.26 176.64 2cqa s THR 11 N 1.60 4.69 -0.20 1.83 2.01 -1.26 -5.00 115.64 119.31 2cqa s THR 11 Ca 0.03 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 2cqa s THR 11 Cb -0.19 -3.25 0.16 0.00 0.01 0.00 0.00 72.50 69.23 2cqa s THR 11 CO 0.08 0.15 1.85 -0.62 -0.69 0.00 0.00 174.62 175.39 2cqa n GLU 12 N 0.50 1.51 -4.04 4.92 4.71 -1.26 -4.83 120.64 122.15 2cqa n GLU 12 Ca -0.08 -1.03 -0.13 0.00 -0.01 0.00 0.00 57.16 55.91 2cqa n GLU 12 Cb 0.52 -1.40 -0.12 0.00 -1.01 0.00 0.00 31.44 29.42 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 -1.43 0.35 -0.20 -3.67 -1.09 -1.26 -0.72 121.20 113.18 2cqa s ILE 13 Ca 0.20 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 57.86 2cqa s ILE 13 Cb 0.16 -0.40 0.10 0.00 -1.58 0.00 0.00 42.46 40.74 2cqa s ILE 13 CO 0.01 -0.25 0.33 -0.63 -1.23 0.00 0.00 174.94 173.17 2cqa s ILE 14 N -0.95 -0.52 -0.23 2.92 1.01 -0.96 -4.96 121.20 117.50 2cqa s ILE 14 Ca -0.07 0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 2cqa s ILE 14 Cb -0.07 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2cqa s ILE 14 CO -0.00 -0.05 0.11 -0.70 0.00 0.00 0.00 174.94 174.30 2cqa s GLU 15 N 2.49 3.91 0.17 2.79 2.12 -1.26 -1.40 118.70 127.52 2cqa s GLU 15 Ca 0.06 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2cqa s GLU 15 Cb -0.14 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2cqa s GLU 15 CO -0.13 0.04 0.05 0.20 -0.54 0.00 0.00 175.26 174.88 2cqa s GLY 16 N 1.06 1.21 -0.49 -1.50 0.00 -1.11 -4.88 107.32 101.61 2cqa s GLY 16 Ca 0.05 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 42.99 2cqa s GLY 16 CO 0.04 -1.45 0.65 1.85 0.00 0.00 0.00 173.10 174.19 2cqa s GLU 17 N -4.02 3.18 -0.45 2.90 2.12 -1.16 -2.51 118.70 118.75 2cqa s GLU 17 Ca 0.28 -0.70 -0.42 0.00 0.36 0.00 0.00 54.97 54.49 2cqa s GLU 17 Cb 0.07 -4.05 -0.17 0.00 0.26 0.00 0.00 34.13 30.24 2cqa s GLU 17 CO 0.05 -1.17 2.12 0.28 -0.54 0.00 0.00 175.26 176.00 2cqa n VAL 18 N 5.71 0.06 -0.12 3.70 0.31 0.13 -2.41 118.33 125.71 2cqa n VAL 18 Ca -0.05 -0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 63.98 2cqa n VAL 18 Cb 0.46 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 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 6.53 1.42 -3.83 2.52 0.31 0.10 -0.20 118.33 125.18 2cqa n VAL 19 Ca 0.50 -0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.45 2cqa n VAL 19 Cb 0.03 -1.94 -0.14 0.00 -0.91 0.00 0.00 33.84 30.88 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 -2.55 0.07 -0.21 5.55 2.12 -1.04 -4.66 118.70 117.98 2cqa s GLU 20 Ca -0.34 0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 2cqa s GLU 20 Cb 0.12 -0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.56 2cqa s GLU 20 CO 0.44 -0.04 -0.01 0.42 -0.54 0.00 0.00 175.26 175.53 2cqa s ILE 21 N 0.22 1.01 -0.08 -3.70 1.01 -1.26 -0.78 121.20 117.61 2cqa s ILE 21 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2cqa s ILE 21 Cb -0.02 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2cqa s ILE 21 CO -0.01 -0.12 -0.21 -1.10 0.00 0.00 0.00 174.94 173.51 2cqa s GLN 22 N 1.64 2.78 -0.16 2.79 -1.52 -0.02 -5.03 119.66 120.15 2cqa s GLN 22 Ca -0.03 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 52.57 2cqa s GLN 22 Cb -0.17 -2.31 -0.00 0.00 -0.22 0.00 0.00 33.01 30.30 2cqa s GLN 22 CO -0.07 0.36 -0.15 0.42 -0.25 0.00 0.00 175.29 175.60 2cqa s ILE 23 N -0.10 2.64 -0.53 1.08 -1.09 -1.26 -0.74 121.20 121.19 2cqa s ILE 23 Ca -0.04 -0.78 -0.26 0.00 -2.23 0.00 0.00 60.65 57.34 2cqa s ILE 23 Cb -0.14 -2.11 0.03 0.00 -1.58 0.00 0.00 42.46 38.66 2cqa s ILE 23 CO 0.04 0.51 1.01 -0.62 -1.23 0.00 0.00 174.94 174.66 2cqa s ASP 24 N 0.85 6.42 0.47 3.58 2.15 -0.59 -5.01 116.67 124.55 2cqa s ASP 24 Ca -0.05 -0.09 -0.23 0.00 0.43 0.00 0.00 52.55 52.62 2cqa s ASP 24 Cb -0.15 -2.47 -0.07 0.00 -0.30 0.00 0.00 42.92 39.92 2cqa s ASP 24 CO -0.01 -1.25 1.24 -0.13 -0.17 0.00 0.00 175.17 174.85 2cqa s ARG 25 N 4.18 3.63 0.00 4.34 0.52 -1.26 -4.35 118.95 126.01 2cqa s ARG 25 Ca 0.36 1.97 0.14 0.00 -0.52 0.00 0.00 55.73 57.68 2cqa s ARG 25 Cb -0.10 -2.43 0.85 0.00 0.52 0.00 0.00 34.95 33.78 2cqa s ARG 25 CO 0.23 -0.72 1.27 -0.35 0.02 0.00 0.00 175.30 175.75 2cqa n PRO 26 N -0.52 0.49 -0.37 3.54 -0.04 -1.26 -3.94 135.00 132.89 2cqa n PRO 26 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2cqa n PRO 26 Cb 0.46 -1.45 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 2cqa n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqa h ALA 27 N 2.89 0.29 -0.32 0.55 0.00 -2.01 0.30 119.26 120.95 2cqa h ALA 27 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2cqa h ALA 27 Cb 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2cqa h ALA 27 CO 0.00 -0.56 0.20 0.00 0.00 0.00 0.00 179.25 178.89 2cqa h THR 28 N -0.00 1.09 -2.90 0.00 1.03 -1.99 -3.44 112.91 106.70 2cqa h THR 28 Ca 0.38 -0.19 -0.13 0.00 -0.01 0.00 0.00 66.41 66.46 2cqa h THR 28 Cb 0.63 0.66 -0.23 0.00 -1.07 0.00 0.00 68.15 68.14 2cqa h THR 28 CO -0.99 0.09 -0.28 -0.83 -0.01 0.00 0.00 175.52 173.50 2cqa s GLY 29 N -2.52 -0.24 0.35 2.99 0.00 0.10 -5.16 107.32 102.84 2cqa s GLY 29 Ca -0.13 0.79 -0.13 0.00 0.00 0.00 0.00 44.72 45.25 2cqa s GLY 29 CO 0.71 0.62 0.74 -1.08 0.00 0.00 0.00 173.10 174.10 2cqa s THR 30 N -0.35 4.72 -1.48 0.90 -1.32 -1.23 -4.42 115.64 112.46 2cqa s THR 30 Ca -0.05 0.84 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 2cqa s THR 30 Cb -0.03 -3.65 0.00 0.00 -1.51 0.00 0.00 72.50 67.31 2cqa s THR 30 CO 0.02 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 2cqa n GLY 31 N -0.64 0.39 3.15 6.08 0.00 -1.26 -5.09 105.19 107.81 2cqa n GLY 31 Ca 0.03 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 2cqa n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqa n SER 32 N 0.00 -3.42 -4.43 1.61 7.64 -1.26 -5.00 113.62 108.76 2cqa n SER 32 Ca 0.00 0.07 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 2cqa n SER 32 Cb 0.00 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 62.26 2cqa n SER 32 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cqa s LYS 33 N -2.68 1.55 0.03 1.43 1.02 -1.26 -4.94 119.74 114.88 2cqa s LYS 33 Ca 0.46 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.08 2cqa s LYS 33 Cb -0.08 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 2cqa s LYS 33 CO 0.71 0.45 0.07 0.14 -0.92 0.00 0.00 175.35 175.80 2cqa s VAL 34 N -1.19 0.13 0.16 3.17 -7.23 -1.21 -3.59 120.40 110.63 2cqa s VAL 34 Ca 0.16 -1.10 -0.23 0.00 -1.81 0.00 0.00 61.98 59.00 2cqa s VAL 34 Cb -0.10 -0.82 0.06 0.00 0.56 0.00 0.00 36.38 36.08 2cqa s VAL 34 CO 0.08 -0.60 0.66 -0.83 -0.31 0.00 0.00 175.10 174.10 2cqa s GLY 35 N -2.04 -0.50 -0.12 2.32 0.00 -1.25 -1.54 107.32 104.19 2cqa s GLY 35 Ca -0.06 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.07 2cqa s GLY 35 CO -0.04 0.13 -0.17 1.25 0.00 0.00 0.00 173.10 174.27 2cqa s LYS 36 N -3.70 3.24 0.05 2.90 2.20 0.08 -2.50 119.74 122.01 2cqa s LYS 36 Ca 0.04 -0.76 0.08 0.00 -0.36 0.00 0.00 55.97 54.96 2cqa s LYS 36 Cb -0.02 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.78 2cqa s LYS 36 CO -0.09 0.21 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.73 2cqa s LEU 37 N 0.33 2.18 -0.09 5.43 2.96 -1.24 -0.84 118.68 127.41 2cqa s LEU 37 Ca -0.14 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2cqa s LEU 37 Cb -0.17 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.54 2cqa s LEU 37 CO 0.07 0.16 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.26 2cqa s THR 38 N -0.83 1.18 -0.03 3.68 2.01 0.04 -1.71 115.64 119.97 2cqa s THR 38 Ca 0.08 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2cqa s THR 38 Cb -0.09 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 2cqa s THR 38 CO 0.02 0.38 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.45 2cqa s LEU 39 N 1.01 1.85 -0.36 4.42 1.02 -1.16 0.02 118.68 125.47 2cqa s LEU 39 Ca -0.08 -0.24 -0.21 0.00 0.02 0.00 0.00 54.13 53.62 2cqa s LEU 39 Cb -0.15 -0.68 0.01 0.00 0.02 0.00 0.00 46.19 45.38 2cqa s LEU 39 CO -0.01 0.10 0.68 -0.75 0.02 0.00 0.00 176.35 176.40 2cqa s LYS 40 N 0.09 3.67 0.71 1.70 2.20 -1.01 -1.41 119.74 125.69 2cqa s LYS 40 Ca -0.02 0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 2cqa s LYS 40 Cb -0.09 -3.82 0.06 0.00 -1.51 0.00 0.00 37.83 32.47 2cqa s LYS 40 CO 0.01 -0.79 1.02 0.95 -0.36 0.00 0.00 175.35 176.18 2cqa s THR 41 N 2.84 2.26 0.54 3.43 -4.23 0.19 -2.99 115.64 117.69 2cqa s THR 41 Ca 0.26 -0.25 0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2cqa s THR 41 Cb -0.14 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.81 2cqa s THR 41 CO 0.16 -0.00 1.30 0.74 -0.54 0.00 0.00 174.62 176.27 2cqa h THR 42 N -0.63 0.00 0.00 3.99 2.02 -1.97 -3.20 112.91 113.12 2cqa h THR 42 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2cqa h THR 42 Cb 1.32 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2cqa h THR 42 CO 0.61 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.88 2cqa n GLU 43 N -2.47 0.00 -4.22 6.66 1.02 -1.26 -5.14 120.64 115.24 2cqa n GLU 43 Ca -0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 2cqa n GLU 43 Cb 0.69 -0.04 -0.06 0.00 -0.02 0.00 0.00 31.44 32.00 2cqa n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cqa n MET 44 N -1.51 0.66 -3.21 3.49 0.00 -1.21 -5.13 117.12 110.20 2cqa n MET 44 Ca 0.00 -3.17 -0.25 0.00 0.00 0.00 0.00 57.70 54.28 2cqa n MET 44 Cb 0.00 1.57 -0.01 0.00 0.00 0.00 0.00 33.22 34.78 2cqa n MET 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2cqa s GLU 45 N -3.45 3.51 -0.15 3.17 2.02 -1.26 0.54 118.70 123.08 2cqa s GLU 45 Ca 0.16 -0.19 -0.10 0.00 0.02 0.00 0.00 54.97 54.86 2cqa s GLU 45 Cb 0.01 -2.60 0.05 0.00 0.10 0.00 0.00 34.13 31.69 2cqa s GLU 45 CO 0.11 0.08 0.37 0.99 0.02 0.00 0.00 175.26 176.83 2cqa s THR 46 N -2.39 -0.02 -0.10 3.63 2.01 -0.50 -4.89 115.64 113.38 2cqa s THR 46 Ca 0.42 0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.21 2cqa s THR 46 Cb -0.10 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2cqa s THR 46 CO 0.37 0.03 0.88 -0.63 -0.69 0.00 0.00 174.62 174.58 2cqa s ILE 47 N 0.88 4.88 -0.29 1.82 1.01 -1.26 -3.00 121.20 125.24 2cqa s ILE 47 Ca -0.06 1.79 -0.09 0.00 0.00 0.00 0.00 60.65 62.30 2cqa s ILE 47 Cb -0.06 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2cqa s ILE 47 CO -0.07 0.09 0.13 -0.31 0.00 0.00 0.00 174.94 174.78 2cqa s TYR 48 N 1.63 3.15 -0.04 3.97 2.02 -0.69 -4.98 117.35 122.40 2cqa s TYR 48 Ca 0.44 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.39 2cqa s TYR 48 Cb -0.18 -2.32 -0.08 0.00 -0.40 0.00 0.00 41.96 38.99 2cqa s TYR 48 CO 0.18 -0.39 2.05 -0.51 -1.57 0.00 0.00 175.55 175.31 2cqa s ASP 49 N 1.63 6.14 0.33 2.29 1.11 -1.26 -3.66 116.67 123.25 2cqa s ASP 49 Ca 0.05 2.44 0.04 0.00 0.18 0.00 0.00 52.55 55.26 2cqa s ASP 49 Cb -0.16 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.28 2cqa s ASP 49 CO 0.06 -1.33 0.48 -0.76 1.18 0.00 0.00 175.17 174.79 2cqa s LEU 50 N 5.65 4.04 0.00 1.23 1.43 -1.04 -5.05 118.68 124.93 2cqa s LEU 50 Ca 0.92 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2cqa s LEU 50 Cb -0.40 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 42.88 2cqa s LEU 50 CO 0.40 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2cqa n GLY 51 N -1.66 2.50 0.00 -3.19 0.00 -1.26 -3.91 105.19 97.67 2cqa n GLY 51 Ca -0.03 -0.26 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 0.04 2.61 -1.04 -1.24 -3.34 114.28 111.31 2cqa n THR 52 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2cqa n THR 52 Cb 0.00 -0.67 -0.11 0.00 -1.82 0.00 0.00 70.33 67.73 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 0.59 -0.71 -2.82 1.79 -1.93 -3.06 116.57 110.44 2cqa h LYS 53 Ca 0.00 -0.68 0.05 0.00 -2.18 0.00 0.00 60.65 57.84 2cqa h LYS 53 Cb 1.00 0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 2cqa h LYS 53 CO 0.00 1.28 0.41 0.52 -1.08 0.00 0.00 179.45 180.58 2cqa h MET 54 N 0.19 0.75 -0.58 3.15 2.86 -1.86 -2.25 114.93 117.19 2cqa h MET 54 Ca -0.13 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 2cqa h MET 54 Cb 1.65 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.11 2cqa h MET 54 CO 0.19 0.49 0.23 0.82 1.06 0.00 0.00 176.91 179.70 2cqa h ILE 55 N 0.77 1.23 -1.01 -1.22 2.04 -1.81 -2.38 117.51 115.13 2cqa h ILE 55 Ca 0.31 -0.71 0.29 0.00 1.00 0.00 0.00 64.86 65.75 2cqa h ILE 55 Cb 0.16 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2cqa h ILE 55 CO -0.17 0.27 0.91 -0.33 0.00 0.00 0.00 178.15 178.84 2cqa h GLU 56 N 0.80 0.00 0.01 2.37 4.39 -1.29 0.16 114.58 121.02 2cqa h GLU 56 Ca 0.19 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 2cqa h GLU 56 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2cqa h GLU 56 CO -0.02 0.00 -0.46 0.77 -1.16 0.00 0.00 179.01 178.14 2cqa h SER 57 N 0.00 0.03 0.05 1.42 0.02 -1.43 -2.86 113.55 110.78 2cqa h SER 57 Ca 0.48 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2cqa h SER 57 Cb 2.29 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.82 2cqa h SER 57 CO -0.01 1.19 0.00 0.18 -1.14 0.00 0.00 176.83 177.05 2cqa n LEU 58 N -4.51 0.25 -0.11 5.07 4.77 0.40 -2.39 117.00 120.48 2cqa n LEU 58 Ca -0.17 0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 2cqa n LEU 58 Cb 0.57 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 2cqa n LEU 58 CO 0.30 -0.67 -0.82 0.35 -1.33 0.00 0.00 177.39 175.22 2cqa n THR 59 N -1.83 1.52 -0.00 -5.08 -2.24 -0.32 -1.17 114.28 105.15 2cqa n THR 59 Ca -0.00 -0.11 0.23 0.00 -2.27 0.00 0.00 64.05 61.89 2cqa n THR 59 Cb 0.03 -2.04 0.72 0.00 -2.10 0.00 0.00 70.33 66.94 2cqa n THR 59 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2cqa h LYS 60 N -1.00 0.00 0.00 -0.78 2.10 -1.23 0.72 116.57 116.38 2cqa h LYS 60 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2cqa h LYS 60 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2cqa h LYS 60 CO -0.25 0.00 -0.00 -0.25 -2.00 0.00 0.00 179.45 176.95 2cqa n ASP 61 N -4.01 1.94 -3.84 7.07 8.00 -1.03 -5.00 116.55 119.68 2cqa n ASP 61 Ca 0.11 -2.07 -0.27 0.00 0.71 0.00 0.00 54.79 53.26 2cqa n ASP 61 Cb 0.72 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.58 -0.88 -1.56 -1.24 4.76 0.24 -4.72 118.16 114.19 2cqa n LYS 62 Ca 0.02 0.08 -0.49 0.00 -2.87 0.00 0.00 58.31 55.05 2cqa n LYS 62 Cb 0.30 -3.09 -0.04 0.00 -1.84 0.00 0.00 35.03 30.36 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 -3.48 0.93 -4.50 -0.18 0.31 -0.32 -4.98 118.33 106.11 2cqa n VAL 63 Ca -0.10 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 63.75 2cqa n VAL 63 Cb 0.44 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.42 1.89 0.37 5.55 -1.52 -1.26 -4.98 119.66 119.29 2cqa s GLN 64 Ca 0.73 -2.15 -0.27 0.00 -1.95 0.00 0.00 55.36 51.73 2cqa s GLN 64 Cb -0.88 -0.59 -0.09 0.00 -0.22 0.00 0.00 33.01 31.23 2cqa s GLN 64 CO 0.53 -0.46 1.26 0.00 -0.25 0.00 0.00 175.29 176.37 2cqa s ALA 65 N -3.24 3.34 0.00 6.09 0.00 -1.26 -3.35 121.76 123.34 2cqa s ALA 65 Ca 0.25 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2cqa s ALA 65 Cb 0.03 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2cqa s ALA 65 CO 0.15 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2cqa n GLY 66 N 0.75 1.84 3.95 0.00 0.00 0.72 -5.00 105.19 107.45 2cqa n GLY 66 Ca 0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 0.05 4.79 -0.20 1.61 1.01 -1.21 -4.81 116.67 117.89 2cqa s ASP 67 Ca 0.00 0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.53 2cqa s ASP 67 Cb 0.00 -0.91 0.04 0.00 1.01 0.00 0.00 42.92 43.06 2cqa s ASP 67 CO 0.00 -1.58 -0.14 -0.69 0.21 0.00 0.00 175.17 172.98 2cqa s VAL 68 N -3.16 1.87 0.09 -1.27 1.01 -1.26 0.19 120.40 117.87 2cqa s VAL 68 Ca 0.61 -1.10 0.10 0.00 0.00 0.00 0.00 61.98 61.59 2cqa s VAL 68 Cb -0.10 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2cqa s VAL 68 CO 0.44 0.26 -0.26 0.27 0.00 0.00 0.00 175.10 175.80 2cqa s ILE 69 N 1.31 2.17 0.53 2.22 -5.25 -1.04 -2.08 121.20 119.05 2cqa s ILE 69 Ca -0.01 -1.59 0.04 0.00 -0.99 0.00 0.00 60.65 58.10 2cqa s ILE 69 Cb -0.16 -1.90 0.04 0.00 2.95 0.00 0.00 42.46 43.40 2cqa s ILE 69 CO -0.09 0.19 0.74 0.42 -1.79 0.00 0.00 174.94 174.41 2cqa s THR 70 N -0.96 2.66 -0.20 8.37 -4.23 -0.28 -2.76 115.64 118.25 2cqa s THR 70 Ca 0.13 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 2cqa s THR 70 Cb -0.10 -2.87 0.08 0.00 1.34 0.00 0.00 72.50 70.95 2cqa s THR 70 CO 0.04 0.00 0.14 -0.63 -0.54 0.00 0.00 174.62 173.63 2cqa s ILE 71 N -2.66 -0.17 -0.65 2.99 1.01 -0.50 -3.26 121.20 117.97 2cqa s ILE 71 Ca 0.58 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.79 2cqa s ILE 71 Cb -0.09 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.80 2cqa s ILE 71 CO 0.37 -0.31 0.90 -1.81 0.00 0.00 0.00 174.94 174.09 2cqa s ASP 72 N 2.20 6.18 0.33 3.58 1.11 0.10 -2.27 116.67 127.91 2cqa s ASP 72 Ca 0.04 -1.12 0.04 0.00 0.18 0.00 0.00 52.55 51.70 2cqa s ASP 72 Cb -0.16 -2.39 0.65 0.00 1.07 0.00 0.00 42.92 42.09 2cqa s ASP 72 CO -0.14 -1.36 1.93 0.11 1.18 0.00 0.00 175.17 176.90 2cqa h LYS 73 N 9.47 0.85 -0.87 8.23 1.57 -1.20 1.12 116.57 135.73 2cqa h LYS 73 Ca -0.28 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.55 2cqa h LYS 73 Cb 1.07 -0.19 -0.12 0.00 0.08 0.00 0.00 32.23 33.07 2cqa h LYS 73 CO 1.16 0.56 -0.42 0.00 -0.57 0.00 0.00 179.45 180.18 2cqa n ALA 74 N -2.42 -0.32 -0.57 3.86 0.00 -1.25 -1.88 120.51 117.92 2cqa n ALA 74 Ca 0.12 0.81 0.04 0.00 0.00 0.00 0.00 53.44 54.42 2cqa n ALA 74 Cb 0.22 -0.26 0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 -5.20 1.29 -2.01 0.00 5.66 -1.08 -4.97 114.28 107.97 2cqa n THR 75 Ca 0.06 -1.45 -0.18 0.00 -3.05 0.00 0.00 64.05 59.42 2cqa n THR 75 Cb 0.29 0.21 -0.04 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.85 0.54 3.87 1.09 0.00 0.38 -4.95 105.19 105.27 2cqa n GLY 76 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2cqa n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 77 N -4.36 3.76 -0.04 1.61 -0.14 -0.65 -4.27 119.74 115.66 2cqa s LYS 77 Ca 0.00 0.50 0.03 0.00 -1.36 0.00 0.00 55.97 55.14 2cqa s LYS 77 Cb 0.00 -2.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.80 2cqa s LYS 77 CO 0.00 -0.09 -0.13 0.42 -0.76 0.00 0.00 175.35 174.79 2cqa s ILE 78 N -2.46 1.10 0.14 2.17 1.01 -1.26 0.02 121.20 121.91 2cqa s ILE 78 Ca 0.52 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.74 2cqa s ILE 78 Cb -0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2cqa s ILE 78 CO 0.33 0.33 -0.21 -0.44 0.00 0.00 0.00 174.94 174.96 2cqa s SER 79 N 0.21 2.77 -0.15 3.58 0.01 -1.20 -4.91 113.70 114.01 2cqa s SER 79 Ca -0.05 -0.78 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 2cqa s SER 79 Cb -0.11 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2cqa s SER 79 CO 0.02 0.05 0.13 -0.75 0.41 0.00 0.00 173.24 173.09 2cqa s LYS 80 N -2.32 3.73 0.36 12.44 2.20 -1.26 -1.13 119.74 133.75 2cqa s LYS 80 Ca 0.12 -0.18 0.09 0.00 -0.36 0.00 0.00 55.97 55.64 2cqa s LYS 80 Cb -0.08 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 2cqa s LYS 80 CO 0.06 0.58 -0.03 -0.51 -0.36 0.00 0.00 175.35 175.08 2cqa s LEU 81 N -0.45 2.85 0.01 5.43 1.43 -0.88 -4.98 118.68 122.08 2cqa s LEU 81 Ca 0.12 -1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 51.96 2cqa s LEU 81 Cb -0.12 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 2cqa s LEU 81 CO 0.02 -0.28 0.92 1.23 0.23 0.00 0.00 176.35 178.47 2cqa h GLY 82 N 1.88 -0.34 -1.27 -3.19 0.00 -2.00 -3.40 103.07 94.75 2cqa h GLY 82 Ca -0.43 0.13 -0.21 0.00 0.00 0.00 0.00 47.33 46.82 2cqa h GLY 82 CO 0.71 -0.12 -0.05 0.54 0.00 0.00 0.00 176.54 177.62 2cqa n ARG 83 N -3.06 0.76 -1.63 4.80 5.12 -1.26 -4.67 116.66 116.71 2cqa n ARG 83 Ca -0.04 -2.50 -0.42 0.00 -1.93 0.00 0.00 57.85 52.96 2cqa n ARG 83 Cb 0.13 2.55 -0.03 0.00 -1.16 0.00 0.00 32.46 33.95 2cqa n ARG 83 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2cqa s SER 84 N -3.01 5.34 0.14 0.55 0.01 -1.26 -4.85 113.70 110.62 2cqa s SER 84 Ca 0.24 1.73 -0.17 0.00 1.31 0.00 0.00 55.95 59.06 2cqa s SER 84 Cb -0.02 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2cqa s SER 84 CO 0.18 -2.08 1.76 -0.26 0.41 0.00 0.00 173.24 173.25 2cqa h PHE 85 N 15.55 0.24 -2.95 2.43 0.04 -2.01 -3.44 116.94 126.81 2cqa h PHE 85 Ca -0.38 0.01 -0.55 0.00 2.80 0.00 0.00 57.97 59.85 2cqa h PHE 85 Cb 1.24 -0.06 0.21 0.00 2.20 0.00 0.00 35.95 39.53 2cqa h PHE 85 CO 0.94 0.12 -0.84 2.41 -0.60 0.00 0.00 178.31 180.35 2cqa n THR 86 N -4.99 0.56 -3.26 -1.55 -1.04 -1.26 -4.92 114.28 97.82 2cqa n THR 86 Ca -0.00 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 2cqa n THR 86 Cb 0.09 -0.48 -0.08 0.00 -1.82 0.00 0.00 70.33 68.04 2cqa n THR 86 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2cqa s ARG 87 N -2.83 3.83 -0.05 -2.82 6.06 -1.26 -4.97 118.95 116.90 2cqa s ARG 87 Ca 0.56 0.04 -0.16 0.00 -2.50 0.00 0.00 55.73 53.66 2cqa s ARG 87 Cb -0.27 -3.73 -0.11 0.00 0.06 0.00 0.00 34.95 30.90 2cqa s ARG 87 CO 0.68 -0.49 0.65 0.00 -2.50 0.00 0.00 175.30 173.64 2cqa h ALA 88 N 8.27 -0.31 -6.50 6.12 0.00 -1.91 -3.47 119.26 121.45 2cqa h ALA 88 Ca -0.29 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 53.95 2cqa h ALA 88 Cb 1.14 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 2cqa h ALA 88 CO 0.73 -0.33 -0.81 -2.13 0.00 0.00 0.00 179.25 176.71 2cqa n ARG 89 N -4.98 -4.20 -0.01 0.00 3.00 -1.26 -4.85 116.66 104.35 2cqa n ARG 89 Ca -0.06 0.48 -0.05 0.00 -0.00 0.00 0.00 57.85 58.21 2cqa n ARG 89 Cb 0.22 -5.17 -0.02 0.00 0.00 0.00 0.00 32.46 27.49 2cqa n ARG 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2cqa n SER 90 N -2.80 1.03 -2.69 6.15 7.64 -1.26 -5.02 113.62 116.66 2cqa n SER 90 Ca -0.02 0.16 -0.06 0.00 1.01 0.00 0.00 58.87 59.96 2cqa n SER 90 Cb 0.55 -0.37 0.07 0.00 -1.01 0.00 0.00 64.21 63.45 2cqa n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqa n GLY 91 N 2.72 -1.14 3.76 0.23 0.00 -1.26 -5.16 105.19 104.33 2cqa n GLY 91 Ca -0.09 0.71 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 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 0.30 2.03 -0.20 1.61 0.04 -1.26 -5.07 135.00 132.45 2cqa s PRO 92 Ca 0.28 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 2cqa s PRO 92 Cb 0.22 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.96 2cqa s PRO 92 CO -0.14 -1.78 0.45 -1.54 0.04 0.00 0.00 177.00 174.04 2cqa s SER 93 N -3.40 -0.47 0.50 6.66 1.04 -1.26 -5.17 113.70 111.60 2cqa s SER 93 Ca 0.62 1.03 0.03 0.00 0.48 0.00 0.00 55.95 58.11 2cqa s SER 93 Cb -0.17 1.19 -0.01 0.00 0.10 0.00 0.00 66.02 67.12 2cqa s SER 93 CO 0.56 -0.22 0.08 -0.94 0.98 0.00 0.00 173.24 173.71 2cqa s SER 94 N 2.08 4.21 0.00 7.02 1.04 -1.26 -5.32 113.70 121.47 2cqa s SER 94 Ca -0.06 -1.52 0.21 0.00 0.48 0.00 0.00 55.95 55.07 2cqa s SER 94 Cb -0.10 0.33 0.17 0.00 0.10 0.00 0.00 66.02 66.52 2cqa s SER 94 CO -0.14 -0.83 1.17 0.61 0.98 0.00 0.00 173.24 175.03