#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 0.20 0.02 1.61 1.04 -1.26 -5.17 113.70 110.14 2cqa s SER 2 Ca 0.00 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2cqa s SER 2 Cb 0.00 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 2cqa s SER 2 CO 0.00 -1.50 0.10 -0.94 0.98 0.00 0.00 173.24 171.88 2cqa s SER 3 N -3.09 5.75 -0.36 7.02 1.04 -1.26 -5.04 113.70 117.76 2cqa s SER 3 Ca 0.19 0.14 0.15 0.00 0.48 0.00 0.00 55.95 56.91 2cqa s SER 3 Cb -0.04 -1.65 0.42 0.00 0.10 0.00 0.00 66.02 64.86 2cqa s SER 3 CO 0.13 0.24 0.91 0.61 0.98 0.00 0.00 173.24 176.11 2cqa n GLY 4 N 0.95 2.68 3.62 7.32 0.00 -1.26 -5.07 105.19 113.43 2cqa n GLY 4 Ca -0.11 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.00 -0.75 -0.08 1.61 0.01 -1.26 -5.16 113.70 105.07 2cqa s SER 5 Ca 0.33 1.43 -0.03 0.00 1.31 0.00 0.00 55.95 58.99 2cqa s SER 5 Cb 0.42 1.44 0.04 0.00 0.21 0.00 0.00 66.02 68.13 2cqa s SER 5 CO -0.02 -0.25 0.17 -0.44 0.41 0.00 0.00 173.24 173.11 2cqa s SER 6 N 0.43 -0.13 -0.42 2.44 0.01 -1.26 -4.97 113.70 109.81 2cqa s SER 6 Ca -0.00 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 2cqa s SER 6 Cb -0.05 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2cqa s SER 6 CO -0.00 -0.16 0.43 0.61 0.41 0.00 0.00 173.24 174.53 2cqa n GLY 7 N 4.25 -0.93 3.15 3.44 0.00 -1.26 -5.08 105.19 108.75 2cqa n GLY 7 Ca -0.26 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.79 0.67 -0.07 1.61 -0.14 -1.26 -5.12 119.74 112.64 2cqa s LYS 8 Ca 0.03 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.54 2cqa s LYS 8 Cb -0.01 0.27 -0.05 0.00 -1.68 0.00 0.00 37.83 36.36 2cqa s LYS 8 CO 0.48 -0.18 1.66 -1.21 -0.76 0.00 0.00 175.35 175.33 2cqa s GLU 9 N -2.99 4.14 -0.26 1.68 2.02 -1.26 -4.96 118.70 117.07 2cqa s GLU 9 Ca -0.02 2.14 -0.26 0.00 0.02 0.00 0.00 54.97 56.85 2cqa s GLU 9 Cb 0.01 -3.99 0.14 0.00 0.10 0.00 0.00 34.13 30.39 2cqa s GLU 9 CO -0.06 -0.90 1.12 -2.00 0.02 0.00 0.00 175.26 173.44 2cqa s GLU 10 N 4.11 0.41 0.10 1.61 2.12 -1.26 -5.19 118.70 120.61 2cqa s GLU 10 Ca 0.73 0.38 -0.09 0.00 0.36 0.00 0.00 54.97 56.35 2cqa s GLU 10 Cb -0.33 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.27 2cqa s GLU 10 CO 0.29 -0.07 0.23 -0.08 -0.54 0.00 0.00 175.26 175.09 2cqa s THR 11 N -0.13 0.12 -0.11 -1.70 -1.32 -1.26 -5.06 115.64 106.18 2cqa s THR 11 Ca 0.03 -1.15 0.15 0.00 -1.21 0.00 0.00 61.69 59.51 2cqa s THR 11 Cb -0.04 -1.41 0.34 0.00 -1.51 0.00 0.00 72.50 69.89 2cqa s THR 11 CO -0.07 -0.56 1.16 -0.62 -2.21 0.00 0.00 174.62 172.33 2cqa n GLU 12 N -0.10 0.93 -4.14 7.08 1.02 -1.26 -5.04 120.64 119.13 2cqa n GLU 12 Ca -0.14 -2.54 -0.15 0.00 -0.02 0.00 0.00 57.16 54.31 2cqa n GLU 12 Cb 0.63 -1.05 -0.14 0.00 -0.02 0.00 0.00 31.44 30.85 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 -1.95 0.41 -0.09 -3.67 -1.09 -1.26 -0.81 121.20 112.74 2cqa s ILE 13 Ca 0.31 -0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 2cqa s ILE 13 Cb 0.31 -0.37 0.05 0.00 -1.58 0.00 0.00 42.46 40.86 2cqa s ILE 13 CO -0.06 0.04 0.18 -0.63 -1.23 0.00 0.00 174.94 173.24 2cqa s ILE 14 N -0.29 -0.22 -0.09 2.92 1.01 -1.06 -4.97 121.20 118.50 2cqa s ILE 14 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2cqa s ILE 14 Cb -0.03 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 2cqa s ILE 14 CO -0.00 0.12 -0.11 -0.70 0.00 0.00 0.00 174.94 174.24 2cqa s GLU 15 N 1.95 2.94 0.24 2.79 2.12 -1.26 -1.81 118.70 125.67 2cqa s GLU 15 Ca -0.01 -0.64 -0.14 0.00 0.36 0.00 0.00 54.97 54.53 2cqa s GLU 15 Cb -0.12 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.72 2cqa s GLU 15 CO -0.07 0.47 0.51 0.20 -0.54 0.00 0.00 175.26 175.84 2cqa s GLY 16 N -0.32 0.37 -0.39 -1.50 0.00 -1.07 -4.76 107.32 99.66 2cqa s GLY 16 Ca 0.03 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.77 2cqa s GLY 16 CO 0.03 -0.51 0.92 1.85 0.00 0.00 0.00 173.10 175.38 2cqa s GLU 17 N -3.99 3.76 -0.34 2.90 2.12 -1.17 -2.84 118.70 119.15 2cqa s GLU 17 Ca 0.19 0.45 -0.38 0.00 0.36 0.00 0.00 54.97 55.59 2cqa s GLU 17 Cb -0.01 -3.83 -0.14 0.00 0.26 0.00 0.00 34.13 30.40 2cqa s GLU 17 CO 0.07 -1.01 2.00 0.28 -0.54 0.00 0.00 175.26 176.06 2cqa n VAL 18 N 6.08 0.22 -0.13 3.70 0.31 0.18 -2.03 118.33 126.65 2cqa n VAL 18 Ca 0.07 -0.14 -0.23 0.00 -0.01 0.00 0.00 64.34 64.03 2cqa n VAL 18 Cb 0.48 -1.32 -0.11 0.00 -0.91 0.00 0.00 33.84 31.98 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 6.00 1.51 -3.58 2.52 0.31 0.16 -1.04 118.33 124.20 2cqa n VAL 19 Ca 0.37 -0.49 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 2cqa n VAL 19 Cb 0.15 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.52 0.96 -0.06 5.55 2.56 -1.15 -4.81 118.70 119.24 2cqa s GLU 20 Ca -0.37 0.13 -0.02 0.00 0.00 0.00 0.00 54.97 54.70 2cqa s GLU 20 Cb 0.12 0.45 0.04 0.00 2.00 0.00 0.00 34.13 36.73 2cqa s GLU 20 CO 0.55 -0.30 0.07 0.42 -0.56 0.00 0.00 175.26 175.45 2cqa s ILE 21 N -1.28 -0.12 0.12 -3.70 1.01 -1.26 -1.61 121.20 114.36 2cqa s ILE 21 Ca -0.11 0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.97 2cqa s ILE 21 Cb -0.01 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 2cqa s ILE 21 CO 0.08 0.13 -0.19 -1.10 0.00 0.00 0.00 174.94 173.86 2cqa s GLN 22 N 2.18 1.14 -0.05 2.79 -0.21 0.21 -4.98 119.66 120.74 2cqa s GLN 22 Ca 0.05 -1.23 -0.02 0.00 0.02 0.00 0.00 55.36 54.17 2cqa s GLN 22 Cb -0.12 -1.28 0.03 0.00 1.00 0.00 0.00 33.01 32.64 2cqa s GLN 22 CO -0.04 0.28 0.08 0.42 -2.12 0.00 0.00 175.29 173.91 2cqa s ILE 23 N -1.55 -0.12 -0.29 1.08 1.09 -1.26 0.12 121.20 120.27 2cqa s ILE 23 Ca 0.09 0.38 -0.15 0.00 -1.10 0.00 0.00 60.65 59.86 2cqa s ILE 23 Cb -0.08 -0.17 -0.03 0.00 -1.06 0.00 0.00 42.46 41.12 2cqa s ILE 23 CO 0.05 0.16 0.39 -1.81 -0.10 0.00 0.00 174.94 173.62 2cqa s ASP 24 N 1.98 6.25 0.52 3.58 1.11 0.19 -4.97 116.67 125.33 2cqa s ASP 24 Ca 0.02 0.18 -0.17 0.00 0.18 0.00 0.00 52.55 52.77 2cqa s ASP 24 Cb -0.12 -2.21 -0.07 0.00 1.07 0.00 0.00 42.92 41.58 2cqa s ASP 24 CO -0.04 -0.24 1.00 -0.13 1.18 0.00 0.00 175.17 176.95 2cqa s ARG 25 N 2.10 3.85 0.23 8.23 0.52 -1.26 -3.43 118.95 129.19 2cqa s ARG 25 Ca 0.15 1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 2cqa s ARG 25 Cb -0.16 -2.12 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 2cqa s ARG 25 CO 0.10 -0.36 1.28 -1.25 0.02 0.00 0.00 175.30 175.10 2cqa s PRO 26 N -4.03 4.41 1.05 3.54 0.04 -1.26 -4.99 135.00 133.76 2cqa s PRO 26 Ca 0.60 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.47 2cqa s PRO 26 Cb -0.11 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 2cqa s PRO 26 CO 0.31 -0.19 -0.72 0.00 0.04 0.00 0.00 177.00 176.45 2cqa n ALA 27 N 2.13 -4.91 -0.97 8.56 0.00 -1.26 -4.44 120.51 119.62 2cqa n ALA 27 Ca 0.04 -1.24 -0.40 0.00 0.00 0.00 0.00 53.44 51.84 2cqa n ALA 27 Cb 0.43 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.80 0.00 0.00 0.00 -2.24 -1.26 -4.24 114.28 102.73 2cqa n THR 28 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2cqa n THR 28 Cb 0.67 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 5.30 0.24 3.08 3.38 0.00 -1.26 -5.07 105.19 110.85 2cqa n GLY 29 Ca 0.43 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 2cqa n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cqa s THR 30 N -1.59 0.69 0.00 2.61 -4.23 -1.26 -4.92 115.64 106.94 2cqa s THR 30 Ca 0.00 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2cqa s THR 30 Cb 0.00 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 2cqa s THR 30 CO 0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2cqa n GLY 31 N 1.69 1.23 3.83 3.99 0.00 -1.26 -5.00 105.19 109.67 2cqa n GLY 31 Ca -0.21 0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 4.78 -0.08 1.61 1.04 -1.26 -5.04 113.70 116.75 2cqa s SER 32 Ca 0.00 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.55 2cqa s SER 32 Cb 0.00 -0.43 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 2cqa s SER 32 CO 0.00 -0.66 -0.22 -0.54 0.98 0.00 0.00 173.24 172.79 2cqa s LYS 33 N -4.07 2.68 -0.09 4.02 1.02 -1.26 -4.15 119.74 117.89 2cqa s LYS 33 Ca 0.44 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 2cqa s LYS 33 Cb -0.00 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2cqa s LYS 33 CO 0.25 0.21 -0.04 0.14 -0.92 0.00 0.00 175.35 174.99 2cqa s VAL 34 N 0.25 0.73 0.39 3.17 -7.23 -1.22 -3.43 120.40 113.06 2cqa s VAL 34 Ca -0.14 -0.11 0.07 0.00 -1.81 0.00 0.00 61.98 59.98 2cqa s VAL 34 Cb -0.16 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.90 2cqa s VAL 34 CO 0.07 0.31 0.00 -0.83 -0.31 0.00 0.00 175.10 174.34 2cqa s GLY 35 N 1.72 2.39 -0.09 2.32 0.00 -0.75 -0.64 107.32 112.26 2cqa s GLY 35 Ca 0.03 -2.24 0.01 0.00 0.00 0.00 0.00 44.72 42.53 2cqa s GLY 35 CO -0.06 -2.04 -0.12 0.54 0.00 0.00 0.00 173.10 171.41 2cqa s LYS 36 N -3.72 1.87 0.05 2.90 1.02 0.12 -1.16 119.74 120.81 2cqa s LYS 36 Ca 0.35 -0.44 0.09 0.00 0.02 0.00 0.00 55.97 55.99 2cqa s LYS 36 Cb 0.09 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2cqa s LYS 36 CO 0.17 -0.08 -0.26 -1.17 -0.92 0.00 0.00 175.35 173.09 2cqa s LEU 37 N 1.04 2.20 -0.19 3.17 2.96 -0.79 -0.62 118.68 126.45 2cqa s LEU 37 Ca -0.07 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2cqa s LEU 37 Cb -0.15 -1.30 0.05 0.00 0.50 0.00 0.00 46.19 45.30 2cqa s LEU 37 CO -0.01 0.26 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.35 2cqa s THR 38 N -0.82 1.07 0.02 3.68 2.01 -0.64 -1.01 115.64 119.94 2cqa s THR 38 Ca 0.12 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2cqa s THR 38 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2cqa s THR 38 CO 0.02 -0.04 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.07 2cqa s LEU 39 N 1.62 3.06 -0.55 4.42 1.02 -0.94 0.37 118.68 127.69 2cqa s LEU 39 Ca -0.02 -0.21 -0.16 0.00 0.02 0.00 0.00 54.13 53.77 2cqa s LEU 39 Cb -0.17 -1.77 0.13 0.00 0.02 0.00 0.00 46.19 44.40 2cqa s LEU 39 CO -0.07 0.27 0.51 -0.75 0.02 0.00 0.00 176.35 176.33 2cqa s LYS 40 N -1.46 3.01 0.05 1.70 2.20 -0.86 -0.69 119.74 123.68 2cqa s LYS 40 Ca 0.17 -1.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.07 2cqa s LYS 40 Cb -0.11 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 31.88 2cqa s LYS 40 CO 0.08 -1.33 -0.08 -0.08 -0.36 0.00 0.00 175.35 173.57 2cqa s THR 41 N 1.55 0.60 -1.14 3.43 -1.32 0.46 -3.02 115.64 116.19 2cqa s THR 41 Ca 0.04 -1.14 -0.03 0.00 -1.21 0.00 0.00 61.69 59.35 2cqa s THR 41 Cb -0.29 -0.70 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 2cqa s THR 41 CO 0.03 -0.39 0.95 0.41 -2.21 0.00 0.00 174.62 173.40 2cqa n THR 42 N 1.37 -7.20 -1.94 5.08 -1.04 -1.26 -1.74 114.28 107.55 2cqa n THR 42 Ca -0.22 -0.85 -0.08 0.00 -2.04 0.00 0.00 64.05 60.86 2cqa n THR 42 Cb 0.55 -5.54 -0.02 0.00 -1.82 0.00 0.00 70.33 63.50 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 -3.78 -1.94 -3.86 -2.82 1.02 -1.26 -4.84 120.64 103.15 2cqa n GLU 43 Ca -0.20 0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 2cqa n GLU 43 Cb 0.65 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 27.24 2cqa n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cqa s MET 44 N -4.02 1.59 -0.14 3.49 0.23 -0.71 -5.16 119.30 114.58 2cqa s MET 44 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 2cqa s MET 44 Cb 0.00 0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 33.84 2cqa s MET 44 CO 0.00 -0.70 -0.15 -1.21 -2.03 0.00 0.00 175.02 170.94 2cqa s GLU 45 N -3.93 3.29 -0.07 3.16 2.02 -1.26 0.17 118.70 122.07 2cqa s GLU 45 Ca 0.14 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.41 2cqa s GLU 45 Cb -0.03 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2cqa s GLU 45 CO 0.04 0.12 -0.09 0.99 0.02 0.00 0.00 175.26 176.34 2cqa s THR 46 N 0.58 3.47 -0.33 3.63 2.01 0.13 -4.94 115.64 120.19 2cqa s THR 46 Ca -0.09 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 2cqa s THR 46 Cb -0.16 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2cqa s THR 46 CO 0.03 0.59 0.44 -0.63 -0.69 0.00 0.00 174.62 174.36 2cqa s ILE 47 N -0.63 5.10 -0.19 1.82 1.09 -1.26 -2.21 121.20 124.92 2cqa s ILE 47 Ca 0.09 0.32 -0.06 0.00 -1.10 0.00 0.00 60.65 59.91 2cqa s ILE 47 Cb -0.11 -3.86 -0.03 0.00 -1.06 0.00 0.00 42.46 37.39 2cqa s ILE 47 CO 0.02 -0.09 0.02 -0.31 -0.10 0.00 0.00 174.94 174.47 2cqa s TYR 48 N 2.21 3.11 -0.04 3.97 2.02 -0.18 -4.98 117.35 123.46 2cqa s TYR 48 Ca 0.16 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.34 2cqa s TYR 48 Cb -0.16 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 2cqa s TYR 48 CO 0.12 -0.05 1.02 0.34 -1.57 0.00 0.00 175.55 175.41 2cqa s ASP 49 N 0.66 7.28 0.06 2.29 -1.08 -1.26 -1.89 116.67 122.72 2cqa s ASP 49 Ca 0.01 1.66 0.01 0.00 -0.52 0.00 0.00 52.55 53.70 2cqa s ASP 49 Cb -0.14 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.72 2cqa s ASP 49 CO 0.02 -0.37 0.16 -0.76 0.52 0.00 0.00 175.17 174.74 2cqa s LEU 50 N 1.46 4.15 0.00 -1.34 1.43 -0.31 -4.98 118.68 119.09 2cqa s LEU 50 Ca 0.52 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2cqa s LEU 50 Cb -0.21 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2cqa s LEU 50 CO 0.24 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.62 2cqa n GLY 51 N 0.47 0.67 0.23 -3.19 0.00 -1.26 -1.82 105.19 100.29 2cqa n GLY 51 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 1.08 -0.01 2.61 -1.04 -1.22 -4.00 114.28 111.69 2cqa n THR 52 Ca 0.00 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 2cqa n THR 52 Cb 0.00 -1.44 -0.10 0.00 -1.82 0.00 0.00 70.33 66.97 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 -0.33 -0.01 -0.86 -2.82 1.57 -1.92 -2.92 116.57 109.28 2cqa h LYS 53 Ca -0.46 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.50 2cqa h LYS 53 Cb 1.55 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.70 2cqa h LYS 53 CO -0.18 0.48 -0.20 0.52 -0.57 0.00 0.00 179.45 179.51 2cqa h MET 54 N -0.50 0.00 0.19 3.15 2.86 -1.84 0.28 114.93 119.08 2cqa h MET 54 Ca -0.00 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2cqa h MET 54 Cb 0.49 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2cqa h MET 54 CO 0.00 0.00 -0.09 0.82 1.06 0.00 0.00 176.91 178.70 2cqa h ILE 55 N 0.00 0.84 -1.83 -1.22 2.04 -1.78 -2.36 117.51 113.21 2cqa h ILE 55 Ca 0.42 -0.10 0.55 0.00 1.00 0.00 0.00 64.86 66.72 2cqa h ILE 55 Cb 0.64 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 2cqa h ILE 55 CO -0.87 0.02 1.29 -0.33 0.00 0.00 0.00 178.15 178.26 2cqa h GLU 56 N -0.30 0.00 0.15 2.37 5.08 -0.74 1.09 114.58 122.22 2cqa h GLU 56 Ca -0.03 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2cqa h GLU 56 Cb 0.23 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.50 2cqa h GLU 56 CO 0.04 0.00 -0.90 0.77 -1.00 0.00 0.00 179.01 177.93 2cqa h SER 57 N 0.00 0.48 0.82 1.42 0.02 -1.13 -2.59 113.55 112.58 2cqa h SER 57 Ca 0.92 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2cqa h SER 57 Cb 3.53 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 65.91 2cqa h SER 57 CO -0.11 1.43 0.00 -0.07 -1.14 0.00 0.00 176.83 176.94 2cqa h LEU 58 N -0.34 0.00 0.10 5.07 3.38 0.13 -1.85 115.31 121.79 2cqa h LEU 58 Ca -0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 2cqa h LEU 58 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2cqa h LEU 58 CO 0.15 0.00 -1.35 0.71 0.09 0.00 0.00 178.44 178.04 2cqa h THR 59 N 0.00 1.03 -0.45 0.22 1.35 -0.50 -0.80 112.91 113.77 2cqa h THR 59 Ca 0.00 -2.37 -0.09 0.00 -0.55 0.00 0.00 66.41 63.40 2cqa h THR 59 Cb 0.41 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.49 2cqa h THR 59 CO 0.00 0.66 -0.08 0.50 -0.25 0.00 0.00 175.52 176.35 2cqa h LYS 60 N -0.40 0.79 -0.23 4.72 3.64 -1.35 -2.32 116.57 121.42 2cqa h LYS 60 Ca -0.30 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2cqa h LYS 60 Cb 1.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2cqa h LYS 60 CO 0.03 0.85 0.00 -0.25 -2.27 0.00 0.00 179.45 177.81 2cqa n ASP 61 N -4.17 2.03 -4.21 4.20 9.92 -0.71 -4.95 116.55 118.65 2cqa n ASP 61 Ca 0.02 -1.80 -0.38 0.00 -0.53 0.00 0.00 54.79 52.10 2cqa n ASP 61 Cb 0.35 -0.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.63 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cqa n LYS 62 N 0.56 -0.67 -2.10 -1.24 4.76 -0.87 -4.82 118.16 113.78 2cqa n LYS 62 Ca 0.16 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.27 2cqa n LYS 62 Cb 0.38 -3.12 -0.03 0.00 -1.84 0.00 0.00 35.03 30.41 2cqa n LYS 62 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cqa s VAL 63 N -4.01 3.08 0.24 -0.18 1.01 -0.33 -5.02 120.40 115.18 2cqa s VAL 63 Ca 0.21 0.79 0.05 0.00 0.00 0.00 0.00 61.98 63.04 2cqa s VAL 63 Cb -0.12 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2cqa s VAL 63 CO 0.99 0.07 -0.05 -1.10 0.00 0.00 0.00 175.10 175.01 2cqa s GLN 64 N 0.90 1.40 0.60 2.72 -0.21 -1.26 -4.97 119.66 118.84 2cqa s GLN 64 Ca 0.65 -1.69 -0.18 0.00 0.02 0.00 0.00 55.36 54.16 2cqa s GLN 64 Cb -0.39 -0.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 2cqa s GLN 64 CO 0.32 0.01 1.00 0.00 -2.12 0.00 0.00 175.29 174.50 2cqa n ALA 65 N -0.46 0.27 0.00 6.09 0.00 -1.26 -2.95 120.51 122.20 2cqa n ALA 65 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2cqa n ALA 65 Cb 0.63 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.25 3.02 3.82 0.00 0.00 -0.21 -5.02 105.19 108.06 2cqa n GLY 66 Ca 0.14 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 0.28 3.48 -0.23 1.61 1.11 -1.15 -4.68 116.67 117.08 2cqa s ASP 67 Ca 0.00 0.77 0.01 0.00 0.18 0.00 0.00 52.55 53.52 2cqa s ASP 67 Cb 0.00 -1.21 0.05 0.00 1.07 0.00 0.00 42.92 42.84 2cqa s ASP 67 CO 0.00 -2.55 -0.09 -0.69 1.18 0.00 0.00 175.17 173.01 2cqa s VAL 68 N -3.44 1.79 0.44 -1.27 1.01 -1.11 0.50 120.40 118.32 2cqa s VAL 68 Ca 0.66 -1.27 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2cqa s VAL 68 Cb -0.12 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2cqa s VAL 68 CO 0.52 0.03 0.28 0.27 0.00 0.00 0.00 175.10 176.21 2cqa s ILE 69 N 1.30 2.28 0.42 2.22 -4.36 -1.13 -2.33 121.20 119.60 2cqa s ILE 69 Ca -0.05 -1.55 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 2cqa s ILE 69 Cb -0.18 -2.84 -0.06 0.00 1.25 0.00 0.00 42.46 40.64 2cqa s ILE 69 CO -0.07 0.00 0.03 0.42 0.24 0.00 0.00 174.94 175.56 2cqa s THR 70 N -2.59 1.50 -0.11 8.37 -4.23 -0.19 -2.60 115.64 115.79 2cqa s THR 70 Ca 0.41 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 2cqa s THR 70 Cb 0.01 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.20 2cqa s THR 70 CO 0.24 0.00 0.10 -0.63 -0.54 0.00 0.00 174.62 173.79 2cqa s ILE 71 N -2.92 -0.15 -0.46 2.99 1.01 -0.75 -3.38 121.20 117.54 2cqa s ILE 71 Ca 0.27 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 2cqa s ILE 71 Cb 0.07 -0.38 0.07 0.00 0.01 0.00 0.00 42.46 42.23 2cqa s ILE 71 CO 0.14 -0.03 0.38 -0.62 0.00 0.00 0.00 174.94 174.80 2cqa s ASP 72 N 2.20 6.11 0.21 3.58 -1.08 0.26 -2.55 116.67 125.39 2cqa s ASP 72 Ca 0.04 -1.31 -0.05 0.00 -0.52 0.00 0.00 52.55 50.71 2cqa s ASP 72 Cb -0.14 -2.17 0.17 0.00 -1.46 0.00 0.00 42.92 39.32 2cqa s ASP 72 CO -0.07 -0.63 1.62 0.11 0.52 0.00 0.00 175.17 176.73 2cqa h LYS 73 N 8.72 0.79 -0.81 4.34 1.57 -1.26 1.10 116.57 131.02 2cqa h LYS 73 Ca -0.28 -0.32 0.12 0.00 -1.87 0.00 0.00 60.65 58.30 2cqa h LYS 73 Cb 1.11 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 2cqa h LYS 73 CO 0.86 0.94 -0.32 0.00 -0.57 0.00 0.00 179.45 180.37 2cqa n ALA 74 N -2.50 -0.11 -0.03 3.86 0.00 -1.26 -2.56 120.51 117.92 2cqa n ALA 74 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 2cqa n ALA 74 Cb 0.44 -0.36 -0.07 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 -5.19 0.33 -0.43 0.00 5.66 -1.22 -5.03 114.28 108.40 2cqa n THR 75 Ca 0.08 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2cqa n THR 75 Cb 0.32 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 2.30 1.44 3.79 1.09 0.00 0.37 -5.10 105.19 109.09 2cqa n GLY 76 Ca -0.09 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.46 2.87 -0.05 1.61 1.02 -0.85 -4.30 119.74 118.58 2cqa s LYS 77 Ca 0.00 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.13 2cqa s LYS 77 Cb 0.00 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 2cqa s LYS 77 CO 0.00 0.46 -0.25 0.42 -0.92 0.00 0.00 175.35 175.06 2cqa s ILE 78 N -1.83 2.04 0.17 2.17 1.01 -1.26 -0.58 121.20 122.92 2cqa s ILE 78 Ca 0.31 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 60.00 2cqa s ILE 78 Cb -0.10 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2cqa s ILE 78 CO 0.23 0.57 -0.18 -0.55 0.00 0.00 0.00 174.94 175.01 2cqa s SER 79 N -0.25 3.77 -0.09 3.58 0.15 -1.22 -4.89 113.70 114.76 2cqa s SER 79 Ca -0.01 -0.72 -0.05 0.00 0.70 0.00 0.00 55.95 55.88 2cqa s SER 79 Cb -0.13 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 2cqa s SER 79 CO 0.03 0.13 0.11 -0.75 1.20 0.00 0.00 173.24 173.95 2cqa s LYS 80 N -2.61 3.30 -0.36 5.44 2.20 -1.26 -1.02 119.74 125.43 2cqa s LYS 80 Ca 0.21 -0.24 0.09 0.00 -0.36 0.00 0.00 55.97 55.67 2cqa s LYS 80 Cb -0.09 -3.06 0.45 0.00 -1.51 0.00 0.00 37.83 33.62 2cqa s LYS 80 CO 0.11 0.74 1.11 1.28 -0.36 0.00 0.00 175.35 178.24 2cqa n LEU 81 N 1.84 4.00 0.00 5.43 4.77 -0.98 -4.98 117.00 127.07 2cqa n LEU 81 Ca -0.18 -4.64 0.00 0.00 -0.03 0.00 0.00 56.01 51.16 2cqa n LEU 81 Cb 0.54 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2cqa n LEU 81 CO 0.32 1.98 0.00 0.61 -1.33 0.00 0.00 177.39 178.97 2cqa n GLY 82 N -0.50 1.78 0.01 -0.72 0.00 -1.26 -3.01 105.19 101.49 2cqa n GLY 82 Ca 0.33 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.98 2cqa n GLY 82 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cqa n ARG 83 N 6.56 0.06 -3.63 1.61 -4.01 -1.26 -2.75 116.66 113.25 2cqa n ARG 83 Ca 0.00 -0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.76 2cqa n ARG 83 Cb 0.00 -1.52 -0.06 0.00 -3.04 0.00 0.00 32.46 27.84 2cqa n ARG 83 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2cqa s SER 84 N -3.20 -0.18 -0.59 2.89 1.04 -1.16 -4.52 113.70 107.96 2cqa s SER 84 Ca 0.08 0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.60 2cqa s SER 84 Cb 0.16 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.64 2cqa s SER 84 CO 0.78 -0.11 0.71 0.12 0.98 0.00 0.00 173.24 175.71 2cqa s PHE 85 N -0.51 2.99 -0.02 5.02 2.19 -1.26 -5.02 117.98 121.37 2cqa s PHE 85 Ca 0.05 -0.96 -0.30 0.00 0.33 0.00 0.00 56.93 56.05 2cqa s PHE 85 Cb -0.03 -4.02 -0.06 0.00 -1.31 0.00 0.00 43.02 37.60 2cqa s PHE 85 CO -0.08 -1.30 1.70 0.99 1.83 0.00 0.00 175.22 178.36 2cqa s THR 86 N 2.69 3.44 0.43 0.12 2.01 -1.26 -4.99 115.64 118.07 2cqa s THR 86 Ca 0.12 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.74 2cqa s THR 86 Cb -0.24 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2cqa s THR 86 CO 0.06 -0.04 0.02 0.00 -0.69 0.00 0.00 174.62 173.97 2cqa s ARG 87 N 3.90 1.99 -0.60 4.92 3.03 -1.26 -5.11 118.95 125.82 2cqa s ARG 87 Ca 0.76 -2.18 -0.08 0.00 2.03 0.00 0.00 55.73 56.25 2cqa s ARG 87 Cb -0.35 -1.42 0.16 0.00 -1.03 0.00 0.00 34.95 32.30 2cqa s ARG 87 CO 0.32 -0.20 0.48 0.00 -1.13 0.00 0.00 175.30 174.77 2cqa s ALA 88 N -2.88 3.62 -0.08 7.88 0.00 -1.26 -5.04 121.76 123.99 2cqa s ALA 88 Ca 0.25 -2.95 0.01 0.00 0.00 0.00 0.00 51.96 49.28 2cqa s ALA 88 Cb 0.07 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.26 2cqa s ALA 88 CO 0.13 -2.06 -0.10 0.50 0.00 0.00 0.00 175.76 174.23 2cqa s ARG 89 N 0.63 1.58 -0.39 0.00 3.52 -1.26 -5.11 118.95 117.92 2cqa s ARG 89 Ca 0.12 -0.33 -0.22 0.00 -0.13 0.00 0.00 55.73 55.16 2cqa s ARG 89 Cb -0.21 -1.44 0.01 0.00 -1.56 0.00 0.00 34.95 31.76 2cqa s ARG 89 CO -0.04 -0.09 0.75 -1.54 -0.81 0.00 0.00 175.30 173.57 2cqa s SER 90 N 1.08 6.48 0.07 -2.12 1.04 -1.26 -4.99 113.70 114.00 2cqa s SER 90 Ca -0.07 0.17 -0.27 0.00 0.48 0.00 0.00 55.95 56.26 2cqa s SER 90 Cb -0.14 -2.38 0.09 0.00 0.10 0.00 0.00 66.02 63.69 2cqa s SER 90 CO -0.01 -0.75 1.13 -0.83 0.98 0.00 0.00 173.24 173.76 2cqa s GLY 91 N 1.91 -0.27 1.24 7.32 0.00 -1.26 -5.18 107.32 111.08 2cqa s GLY 91 Ca 0.29 0.32 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 2cqa s GLY 91 CO 0.18 0.60 1.11 2.56 0.00 0.00 0.00 173.10 177.56 2cqa s PRO 92 N -2.72 -1.50 -0.11 2.90 0.04 -1.26 -5.09 135.00 127.26 2cqa s PRO 92 Ca 0.15 -0.17 -0.08 0.00 0.04 0.00 0.00 61.00 60.95 2cqa s PRO 92 Cb 0.01 -1.57 0.04 0.00 0.04 0.00 0.00 34.50 33.02 2cqa s PRO 92 CO -0.00 -3.88 0.27 -1.12 0.04 0.00 0.00 177.00 172.31 2cqa s SER 93 N -3.97 -0.29 -0.85 6.66 0.01 -1.26 -5.07 113.70 108.92 2cqa s SER 93 Ca 0.72 0.55 -0.25 0.00 1.31 0.00 0.00 55.95 58.29 2cqa s SER 93 Cb -0.08 0.50 -0.17 0.00 0.21 0.00 0.00 66.02 66.48 2cqa s SER 93 CO 0.56 -0.13 2.31 -0.24 0.41 0.00 0.00 173.24 176.15 2cqa n SER 94 N 3.53 1.42 0.00 2.44 2.88 -1.26 -5.37 113.62 117.26 2cqa n SER 94 Ca -0.18 -1.64 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2cqa n SER 94 Cb 0.56 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42