#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 5.60 0.07 1.61 1.04 -1.26 -5.08 113.70 115.69 2cqa s SER 2 Ca 0.00 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 2cqa s SER 2 Cb 0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 2cqa s SER 2 CO 0.00 -0.04 0.07 -0.44 0.98 0.00 0.00 173.24 173.81 2cqa s SER 3 N 1.69 0.31 0.00 7.02 0.01 -1.26 -5.11 113.70 116.35 2cqa s SER 3 Ca 0.07 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2cqa s SER 3 Cb -0.16 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2cqa s SER 3 CO 0.07 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2cqa n GLY 4 N 0.07 0.02 3.62 3.44 0.00 -1.26 -5.04 105.19 106.04 2cqa n GLY 4 Ca -0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.03 1.84 -4.74 1.61 2.88 -1.26 -4.87 113.62 107.06 2cqa n SER 5 Ca 0.00 1.16 -0.42 0.00 -1.33 0.00 0.00 58.87 58.28 2cqa n SER 5 Cb 0.00 -1.32 -0.00 0.00 -0.75 0.00 0.00 64.21 62.14 2cqa n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cqa n SER 6 N 1.72 3.26 -2.50 -3.46 3.41 -1.26 -4.93 113.62 109.87 2cqa n SER 6 Ca 0.12 1.21 -0.02 0.00 -0.26 0.00 0.00 58.87 59.92 2cqa n SER 6 Cb 0.30 -1.55 0.08 0.00 -0.26 0.00 0.00 64.21 62.77 2cqa n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqa n GLY 7 N 0.61 1.77 3.28 5.00 0.00 -1.26 -5.13 105.19 109.46 2cqa n GLY 7 Ca 0.03 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.05 1.14 0.41 1.61 1.02 -1.26 -5.17 119.74 116.44 2cqa s LYS 8 Ca 0.15 -1.47 0.07 0.00 0.02 0.00 0.00 55.97 54.74 2cqa s LYS 8 Cb 0.36 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 2cqa s LYS 8 CO -0.09 0.12 0.15 -1.21 -0.92 0.00 0.00 175.35 173.40 2cqa s GLU 9 N -3.63 2.20 -1.01 1.68 8.01 -1.26 -4.74 118.70 119.95 2cqa s GLU 9 Ca 0.18 -1.85 -0.13 0.00 0.01 0.00 0.00 54.97 53.17 2cqa s GLU 9 Cb 0.01 -1.95 0.02 0.00 -4.31 0.00 0.00 34.13 27.90 2cqa s GLU 9 CO 0.03 -0.09 0.25 -0.85 0.01 0.00 0.00 175.26 174.61 2cqa n GLU 10 N -1.19 -0.69 -3.79 1.61 0.28 -1.26 -4.89 120.64 110.72 2cqa n GLU 10 Ca -0.02 -0.02 -0.35 0.00 -0.16 0.00 0.00 57.16 56.61 2cqa n GLU 10 Cb 0.65 -2.06 -0.05 0.00 1.43 0.00 0.00 31.44 31.41 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 -3.97 5.34 -0.34 3.84 -4.23 -1.26 -4.99 115.64 110.02 2cqa s THR 11 Ca 0.18 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 2cqa s THR 11 Cb -0.10 -3.55 0.38 0.00 1.34 0.00 0.00 72.50 70.57 2cqa s THR 11 CO 0.72 0.39 1.74 -0.62 -0.54 0.00 0.00 174.62 176.31 2cqa n GLU 12 N 1.18 1.90 -3.90 3.99 1.02 -1.26 -4.83 120.64 118.75 2cqa n GLU 12 Ca -0.12 -2.00 -0.18 0.00 -0.02 0.00 0.00 57.16 54.84 2cqa n GLU 12 Cb 0.53 -1.79 -0.16 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.47 0.18 -0.05 -3.67 -1.09 -1.26 -0.60 121.20 112.24 2cqa s ILE 13 Ca 0.39 0.11 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2cqa s ILE 13 Cb 0.32 -0.29 -0.01 0.00 -1.58 0.00 0.00 42.46 40.90 2cqa s ILE 13 CO 0.04 0.16 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.07 2cqa s ILE 14 N 1.20 1.77 -0.02 2.92 1.09 -0.97 -4.94 121.20 122.25 2cqa s ILE 14 Ca -0.07 -0.91 0.05 0.00 -1.10 0.00 0.00 60.65 58.63 2cqa s ILE 14 Cb -0.13 -1.51 -0.01 0.00 -1.06 0.00 0.00 42.46 39.75 2cqa s ILE 14 CO -0.02 0.50 -0.19 -0.70 -0.10 0.00 0.00 174.94 174.43 2cqa s GLU 15 N -0.05 1.62 0.24 2.79 2.12 -1.26 -0.41 118.70 123.75 2cqa s GLU 15 Ca -0.04 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.40 2cqa s GLU 15 Cb -0.13 -1.52 0.04 0.00 0.26 0.00 0.00 34.13 32.78 2cqa s GLU 15 CO 0.03 0.36 0.80 0.20 -0.54 0.00 0.00 175.26 176.12 2cqa s GLY 16 N -0.31 -0.13 -0.59 -1.50 0.00 -1.21 -4.95 107.32 98.64 2cqa s GLY 16 Ca 0.04 -0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 2cqa s GLY 16 CO 0.00 -0.05 0.92 1.85 0.00 0.00 0.00 173.10 175.83 2cqa s GLU 17 N -3.67 3.23 -0.19 2.90 2.12 -1.25 -2.95 118.70 118.89 2cqa s GLU 17 Ca 0.12 -0.52 -0.42 0.00 0.36 0.00 0.00 54.97 54.50 2cqa s GLU 17 Cb -0.04 -4.12 -0.19 0.00 0.26 0.00 0.00 34.13 30.03 2cqa s GLU 17 CO 0.06 -1.59 1.35 0.28 -0.54 0.00 0.00 175.26 174.82 2cqa n VAL 18 N 6.05 0.03 -0.03 3.70 0.31 0.64 -2.22 118.33 126.80 2cqa n VAL 18 Ca -0.01 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.24 2cqa n VAL 18 Cb 0.47 -0.39 -0.02 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.80 0.44 -3.78 2.52 0.31 0.12 0.14 118.33 120.87 2cqa n VAL 19 Ca 0.24 -0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 2cqa n VAL 19 Cb 0.05 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 31.24 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 -2.13 0.12 -0.39 5.55 2.12 -1.07 -4.63 118.70 118.27 2cqa s GLU 20 Ca -0.10 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.54 2cqa s GLU 20 Cb 0.04 -0.06 0.12 0.00 0.26 0.00 0.00 34.13 34.48 2cqa s GLU 20 CO 0.12 -0.10 0.16 0.42 -0.54 0.00 0.00 175.26 175.33 2cqa s ILE 21 N 0.66 1.62 0.19 -3.70 1.01 -1.26 -0.08 121.20 119.64 2cqa s ILE 21 Ca -0.05 -2.29 -0.27 0.00 0.00 0.00 0.00 60.65 58.03 2cqa s ILE 21 Cb -0.07 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 2cqa s ILE 21 CO -0.03 -0.75 0.85 -1.10 0.00 0.00 0.00 174.94 173.91 2cqa s GLN 22 N 0.74 4.69 -0.30 2.79 -0.21 0.25 -4.90 119.66 122.71 2cqa s GLN 22 Ca 0.14 1.31 -0.02 0.00 0.02 0.00 0.00 55.36 56.81 2cqa s GLN 22 Cb -0.21 -3.28 0.10 0.00 1.00 0.00 0.00 33.01 30.61 2cqa s GLN 22 CO -0.09 0.51 0.11 0.42 -2.12 0.00 0.00 175.29 174.12 2cqa s ILE 23 N -1.02 0.52 0.06 1.08 -1.09 -1.26 -0.33 121.20 119.17 2cqa s ILE 23 Ca 0.39 -1.15 -0.31 0.00 -2.23 0.00 0.00 60.65 57.36 2cqa s ILE 23 Cb -0.24 -1.40 -0.06 0.00 -1.58 0.00 0.00 42.46 39.17 2cqa s ILE 23 CO 0.29 -0.68 1.32 -1.81 -1.23 0.00 0.00 174.94 172.82 2cqa s ASP 24 N 1.80 6.93 0.17 3.58 1.11 0.43 -4.99 116.67 125.70 2cqa s ASP 24 Ca 0.09 2.15 -0.18 0.00 0.18 0.00 0.00 52.55 54.79 2cqa s ASP 24 Cb -0.17 -2.58 -0.08 0.00 1.07 0.00 0.00 42.92 41.17 2cqa s ASP 24 CO -0.29 -0.60 0.64 -0.13 1.18 0.00 0.00 175.17 175.97 2cqa s ARG 25 N 1.42 4.16 0.30 8.23 0.52 -1.26 -4.05 118.95 128.27 2cqa s ARG 25 Ca 0.62 0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 56.26 2cqa s ARG 25 Cb -0.33 -2.96 -0.10 0.00 0.52 0.00 0.00 34.95 32.08 2cqa s ARG 25 CO 0.29 0.47 1.23 -1.25 0.02 0.00 0.00 175.30 176.06 2cqa s PRO 26 N -1.81 4.46 0.12 3.54 0.04 -1.26 -4.95 135.00 135.13 2cqa s PRO 26 Ca 0.39 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2cqa s PRO 26 Cb -0.17 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2cqa s PRO 26 CO 0.20 -0.05 0.00 0.00 0.04 0.00 0.00 177.00 177.19 2cqa n ALA 27 N 1.11 3.00 -1.38 8.56 0.00 -1.26 -5.08 120.51 125.46 2cqa n ALA 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2cqa n ALA 27 Cb 0.43 0.17 0.08 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.85 2.78 0.00 0.00 -1.32 -1.26 -4.97 115.64 109.02 2cqa s THR 28 Ca 0.00 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2cqa s THR 28 Cb 0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 2cqa s THR 28 CO 0.00 -0.23 0.18 0.61 -2.21 0.00 0.00 174.62 172.97 2cqa n GLY 29 N -0.13 -1.33 3.05 6.08 0.00 -1.26 -2.55 105.19 109.05 2cqa n GLY 29 Ca 0.12 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 2cqa n GLY 29 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2cqa n THR 30 N -0.37 1.96 -3.87 2.61 5.66 -1.26 -4.90 114.28 114.11 2cqa n THR 30 Ca 0.00 -1.68 -0.33 0.00 -3.05 0.00 0.00 64.05 58.99 2cqa n THR 30 Cb 0.00 -2.34 -0.05 0.00 -1.55 0.00 0.00 70.33 66.40 2cqa n THR 30 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2cqa s GLY 31 N 4.81 2.19 0.04 1.09 0.00 -1.06 -5.10 107.32 109.30 2cqa s GLY 31 Ca 0.56 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.60 2cqa s GLY 31 CO 0.10 -0.63 -0.13 -0.56 0.00 0.00 0.00 173.10 171.87 2cqa s SER 32 N -2.04 4.15 0.19 1.64 0.01 -1.26 -5.01 113.70 111.38 2cqa s SER 32 Ca 0.30 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.92 2cqa s SER 32 Cb -0.13 -0.79 -0.09 0.00 0.21 0.00 0.00 66.02 65.23 2cqa s SER 32 CO 0.20 0.25 1.33 -0.75 0.41 0.00 0.00 173.24 174.68 2cqa s LYS 33 N -1.56 4.37 -0.03 12.44 2.47 -1.26 -4.81 119.74 131.35 2cqa s LYS 33 Ca 0.16 2.07 -0.14 0.00 -1.56 0.00 0.00 55.97 56.51 2cqa s LYS 33 Cb -0.11 -3.19 0.02 0.00 -1.46 0.00 0.00 37.83 33.09 2cqa s LYS 33 CO 0.07 -0.28 0.30 0.14 0.16 0.00 0.00 175.35 175.74 2cqa s VAL 34 N 0.20 0.05 0.26 4.02 -7.23 -1.23 -4.00 120.40 112.47 2cqa s VAL 34 Ca 0.58 -0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 60.14 2cqa s VAL 34 Cb -0.37 -0.57 0.03 0.00 0.56 0.00 0.00 36.38 36.03 2cqa s VAL 34 CO 0.38 -0.22 0.77 -0.83 -0.31 0.00 0.00 175.10 174.89 2cqa s GLY 35 N -1.03 -0.09 0.01 2.32 0.00 -0.89 -0.43 107.32 107.22 2cqa s GLY 35 Ca -0.11 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.40 2cqa s GLY 35 CO 0.03 -0.06 -0.17 0.54 0.00 0.00 0.00 173.10 173.44 2cqa s LYS 36 N -3.71 1.25 -0.06 2.90 -0.14 0.55 -0.91 119.74 119.61 2cqa s LYS 36 Ca 0.12 -0.69 0.04 0.00 -1.36 0.00 0.00 55.97 54.08 2cqa s LYS 36 Cb -0.05 -1.25 0.00 0.00 -1.68 0.00 0.00 37.83 34.85 2cqa s LYS 36 CO 0.06 0.33 -0.17 -1.17 -0.76 0.00 0.00 175.35 173.64 2cqa s LEU 37 N -0.69 1.87 -0.14 3.17 2.96 -0.07 0.84 118.68 126.62 2cqa s LEU 37 Ca 0.06 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2cqa s LEU 37 Cb -0.07 -1.04 0.00 0.00 0.50 0.00 0.00 46.19 45.59 2cqa s LEU 37 CO 0.00 0.12 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.07 2cqa s THR 38 N 0.29 2.30 -0.04 3.68 2.01 0.88 -0.22 115.64 124.55 2cqa s THR 38 Ca -0.10 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.06 2cqa s THR 38 Cb -0.14 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2cqa s THR 38 CO 0.04 0.54 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.50 2cqa s LEU 39 N 0.70 2.05 -0.60 4.42 1.02 -0.14 0.15 118.68 126.28 2cqa s LEU 39 Ca -0.09 -0.48 -0.22 0.00 0.02 0.00 0.00 54.13 53.37 2cqa s LEU 39 Cb -0.16 -1.32 0.07 0.00 0.02 0.00 0.00 46.19 44.80 2cqa s LEU 39 CO 0.01 0.27 0.86 -0.75 0.02 0.00 0.00 176.35 176.76 2cqa s LYS 40 N -0.36 3.14 0.52 1.70 2.20 -0.94 -0.83 119.74 125.17 2cqa s LYS 40 Ca 0.03 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2cqa s LYS 40 Cb -0.12 -4.18 0.03 0.00 -1.51 0.00 0.00 37.83 32.05 2cqa s LYS 40 CO 0.01 -1.61 0.73 0.95 -0.36 0.00 0.00 175.35 175.07 2cqa s THR 41 N 3.56 2.84 -0.42 3.43 -4.23 0.26 -3.78 115.64 117.31 2cqa s THR 41 Ca 0.21 -0.71 -0.31 0.00 -1.18 0.00 0.00 61.69 59.70 2cqa s THR 41 Cb -0.18 -3.04 -0.14 0.00 1.34 0.00 0.00 72.50 70.48 2cqa s THR 41 CO 0.11 -0.03 1.62 0.41 -0.54 0.00 0.00 174.62 176.20 2cqa n THR 42 N -2.23 0.00 -4.16 3.99 -1.04 -1.26 0.97 114.28 110.55 2cqa n THR 42 Ca 0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 2cqa n THR 42 Cb 0.59 -0.37 -0.08 0.00 -1.82 0.00 0.00 70.33 68.65 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 5.58 -0.88 -3.64 -2.82 4.71 -1.26 -4.86 120.64 117.47 2cqa n GLU 43 Ca 0.41 0.09 -0.05 0.00 -0.01 0.00 0.00 57.16 57.60 2cqa n GLU 43 Cb -0.02 -3.52 -0.02 0.00 -1.01 0.00 0.00 31.44 26.87 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 -6.83 1.01 -0.17 3.49 -2.45 0.27 -5.15 119.30 109.47 2cqa s MET 44 Ca 0.23 -0.49 -0.02 0.00 -1.25 0.00 0.00 55.69 54.16 2cqa s MET 44 Cb -0.13 0.39 0.05 0.00 1.25 0.00 0.00 34.83 36.39 2cqa s MET 44 CO 0.90 -0.45 0.02 -2.00 1.05 0.00 0.00 175.02 174.54 2cqa s GLU 45 N -3.19 0.75 0.13 4.11 2.12 -1.26 0.89 118.70 122.24 2cqa s GLU 45 Ca 0.09 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.09 2cqa s GLU 45 Cb -0.01 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 2cqa s GLU 45 CO -0.03 -0.55 0.29 0.99 -0.54 0.00 0.00 175.26 175.42 2cqa s THR 46 N 1.85 5.31 -0.03 -1.70 2.01 -0.01 -4.94 115.64 118.13 2cqa s THR 46 Ca 0.00 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 61.60 2cqa s THR 46 Cb -0.16 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2cqa s THR 46 CO -0.07 -0.01 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.01 2cqa s ILE 47 N -1.68 1.63 -0.02 1.82 -1.09 -1.26 -0.96 121.20 119.64 2cqa s ILE 47 Ca 0.36 -0.86 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2cqa s ILE 47 Cb -0.12 -1.37 -0.01 0.00 -1.58 0.00 0.00 42.46 39.39 2cqa s ILE 47 CO 0.28 0.46 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.97 2cqa s TYR 48 N -0.31 1.59 -0.06 3.97 2.02 0.69 -4.99 117.35 120.26 2cqa s TYR 48 Ca 0.04 -0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.19 2cqa s TYR 48 Cb -0.10 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 2cqa s TYR 48 CO 0.01 -0.06 0.55 0.16 -1.57 0.00 0.00 175.55 174.63 2cqa s ASP 49 N -0.28 6.85 -0.10 2.29 1.47 -1.26 -0.90 116.67 124.74 2cqa s ASP 49 Ca 0.04 1.01 -0.02 0.00 1.18 0.00 0.00 52.55 54.76 2cqa s ASP 49 Cb -0.08 -2.33 -0.03 0.00 -0.34 0.00 0.00 42.92 40.13 2cqa s ASP 49 CO 0.00 0.04 -0.03 -0.76 0.68 0.00 0.00 175.17 175.10 2cqa s LEU 50 N 0.26 3.39 0.00 2.11 1.43 -0.09 -4.97 118.68 120.81 2cqa s LEU 50 Ca 0.30 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2cqa s LEU 50 Cb -0.17 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2cqa s LEU 50 CO 0.14 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.65 2cqa n GLY 51 N 2.56 0.37 0.00 -3.19 0.00 -1.26 -2.09 105.19 101.59 2cqa n GLY 51 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.03 2.61 -1.04 -1.26 -3.55 114.28 111.01 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 -0.96 -0.13 0.00 -1.82 0.00 0.00 70.33 67.42 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 0.13 -1.01 -2.82 6.56 -1.94 -3.24 116.57 114.25 2cqa h LYS 53 Ca -0.00 -0.22 0.24 0.00 -1.06 0.00 0.00 60.65 59.60 2cqa h LYS 53 Cb 0.98 0.08 -0.10 0.00 -0.57 0.00 0.00 32.23 32.62 2cqa h LYS 53 CO 0.00 1.11 0.63 0.52 -2.06 0.00 0.00 179.45 179.65 2cqa h MET 54 N -0.65 0.51 0.03 3.15 2.86 -1.87 -1.07 114.93 117.90 2cqa h MET 54 Ca -0.23 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2cqa h MET 54 Cb 1.46 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2cqa h MET 54 CO -0.02 0.34 -0.02 0.82 1.06 0.00 0.00 176.91 179.10 2cqa h ILE 55 N 0.53 1.27 -1.87 -1.22 2.04 -1.83 -3.02 117.51 113.41 2cqa h ILE 55 Ca 0.59 -0.99 0.56 0.00 1.00 0.00 0.00 64.86 66.02 2cqa h ILE 55 Cb 1.27 1.93 -0.09 0.00 -0.74 0.00 0.00 36.82 39.19 2cqa h ILE 55 CO -0.35 0.25 1.32 -0.33 0.00 0.00 0.00 178.15 179.04 2cqa h GLU 56 N -0.48 0.00 0.00 2.37 4.39 -1.22 0.71 114.58 120.36 2cqa h GLU 56 Ca -0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2cqa h GLU 56 Cb 0.44 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2cqa h GLU 56 CO 0.01 0.00 -0.01 0.77 -1.16 0.00 0.00 179.01 178.62 2cqa h SER 57 N 0.00 0.00 0.27 1.42 0.02 -1.44 -2.23 113.55 111.59 2cqa h SER 57 Ca 0.94 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2cqa h SER 57 Cb 3.61 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 66.15 2cqa h SER 57 CO -0.11 0.91 0.00 0.18 -1.14 0.00 0.00 176.83 176.67 2cqa n LEU 58 N -4.65 0.21 -0.12 5.07 4.77 0.22 -2.62 117.00 119.88 2cqa n LEU 58 Ca -0.10 0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2cqa n LEU 58 Cb 0.44 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 2cqa n LEU 58 CO 0.34 -0.52 -0.86 0.35 -1.33 0.00 0.00 177.39 175.38 2cqa n THR 59 N -1.76 1.53 -0.06 -5.08 -2.24 0.21 -1.16 114.28 105.72 2cqa n THR 59 Ca 0.01 -0.15 0.21 0.00 -2.27 0.00 0.00 64.05 61.85 2cqa n THR 59 Cb 0.09 -1.99 0.67 0.00 -2.10 0.00 0.00 70.33 67.00 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 0.07 -0.16 -0.78 2.10 -1.18 0.44 116.57 116.05 2cqa h LYS 60 Ca -0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2cqa h LYS 60 Cb 1.41 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 2cqa h LYS 60 CO -0.29 0.04 0.00 -3.47 -2.00 0.00 0.00 179.45 173.74 2cqa n ASP 61 N -4.38 2.30 -3.52 7.07 -0.08 -1.08 -4.98 116.55 111.89 2cqa n ASP 61 Ca 0.12 -1.81 -0.23 0.00 -1.51 0.00 0.00 54.79 51.37 2cqa n ASP 61 Cb 0.66 -0.10 -0.03 0.00 2.34 0.00 0.00 41.12 43.98 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2cqa n LYS 62 N 0.20 -2.16 -1.67 -0.67 4.76 0.14 -4.70 118.16 114.07 2cqa n LYS 62 Ca 0.06 0.17 -0.65 0.00 -2.87 0.00 0.00 58.31 55.02 2cqa n LYS 62 Cb 0.31 -4.75 -0.09 0.00 -1.84 0.00 0.00 35.03 28.65 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 -3.47 0.00 -4.50 -0.18 0.31 -0.31 -4.94 118.33 105.25 2cqa n VAL 63 Ca 0.04 -0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.11 2cqa n VAL 63 Cb 0.49 -0.34 -0.10 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.06 1.92 0.28 5.55 -0.21 -1.26 -4.96 119.66 123.04 2cqa s GLN 64 Ca 1.01 -1.92 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 2cqa s GLN 64 Cb -1.43 -1.75 -0.12 0.00 1.00 0.00 0.00 33.01 30.71 2cqa s GLN 64 CO 0.74 0.10 1.52 0.00 -2.12 0.00 0.00 175.29 175.53 2cqa n ALA 65 N -0.88 2.05 0.00 6.09 0.00 -1.26 -3.09 120.51 123.42 2cqa n ALA 65 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2cqa n ALA 65 Cb 0.64 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 2.01 1.83 3.90 0.00 0.00 0.12 -4.96 105.19 108.09 2cqa n GLY 66 Ca 0.09 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2cqa n GLY 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cqa s ASP 67 N -0.46 4.84 -0.36 1.61 -1.08 -1.18 -4.71 116.67 115.34 2cqa s ASP 67 Ca 0.00 0.88 -0.02 0.00 -0.52 0.00 0.00 52.55 52.88 2cqa s ASP 67 Cb 0.00 -1.48 0.08 0.00 -1.46 0.00 0.00 42.92 40.06 2cqa s ASP 67 CO 0.00 -1.70 0.11 -0.69 0.52 0.00 0.00 175.17 173.41 2cqa s VAL 68 N -3.48 3.14 0.05 1.11 1.01 -1.25 -0.26 120.40 120.71 2cqa s VAL 68 Ca 0.61 -1.76 0.06 0.00 0.00 0.00 0.00 61.98 60.89 2cqa s VAL 68 Cb -0.11 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2cqa s VAL 68 CO 0.50 -0.43 -0.14 0.27 0.00 0.00 0.00 175.10 175.30 2cqa s ILE 69 N 1.19 3.11 0.48 2.22 -5.25 -1.15 -2.58 121.20 119.20 2cqa s ILE 69 Ca 0.03 -1.11 0.09 0.00 -0.99 0.00 0.00 60.65 58.66 2cqa s ILE 69 Cb -0.21 -2.35 0.04 0.00 2.95 0.00 0.00 42.46 42.88 2cqa s ILE 69 CO -0.03 0.30 0.65 0.42 -1.79 0.00 0.00 174.94 174.49 2cqa s THR 70 N -1.00 2.69 -0.18 8.37 -4.23 -0.33 -3.33 115.64 117.63 2cqa s THR 70 Ca 0.17 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2cqa s THR 70 Cb -0.11 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.11 2cqa s THR 70 CO 0.07 0.00 0.11 -0.63 -0.54 0.00 0.00 174.62 173.63 2cqa s ILE 71 N -2.46 -0.12 -0.59 2.99 1.01 0.45 -3.16 121.20 119.32 2cqa s ILE 71 Ca 0.57 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.81 2cqa s ILE 71 Cb -0.08 -0.60 0.05 0.00 0.01 0.00 0.00 42.46 41.84 2cqa s ILE 71 CO 0.35 -0.29 0.90 -1.81 0.00 0.00 0.00 174.94 174.09 2cqa s ASP 72 N 2.16 6.26 0.27 3.58 1.11 0.92 -2.29 116.67 128.69 2cqa s ASP 72 Ca 0.03 -0.68 -0.03 0.00 0.18 0.00 0.00 52.55 52.05 2cqa s ASP 72 Cb -0.16 -2.41 0.37 0.00 1.07 0.00 0.00 42.92 41.79 2cqa s ASP 72 CO -0.11 -1.26 1.86 0.11 1.18 0.00 0.00 175.17 176.95 2cqa h LYS 73 N 9.36 0.98 -0.90 8.23 1.57 -1.14 1.62 116.57 136.30 2cqa h LYS 73 Ca -0.27 -0.15 0.15 0.00 -1.87 0.00 0.00 60.65 58.51 2cqa h LYS 73 Cb 1.08 -0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.06 2cqa h LYS 73 CO 1.11 0.78 -0.30 0.00 -0.57 0.00 0.00 179.45 180.47 2cqa n ALA 74 N -2.44 0.01 -0.16 3.86 0.00 -1.26 -1.82 120.51 118.71 2cqa n ALA 74 Ca 0.06 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.43 2cqa n ALA 74 Cb 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -5.38 0.68 -2.59 0.00 5.66 -1.15 -4.99 114.28 106.51 2cqa n THR 75 Ca 0.11 -0.76 -0.21 0.00 -3.05 0.00 0.00 64.05 60.14 2cqa n THR 75 Cb 0.39 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 -0.34 -0.50 3.88 1.09 0.00 0.54 -4.98 105.19 104.89 2cqa n GLY 76 Ca 0.00 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.25 3.59 -0.12 1.61 1.02 -0.48 -4.22 119.74 115.89 2cqa s LYS 77 Ca 0.10 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 2cqa s LYS 77 Cb -0.04 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2cqa s LYS 77 CO 0.12 0.65 -0.08 0.42 -0.92 0.00 0.00 175.35 175.54 2cqa s ILE 78 N -1.30 3.56 0.02 2.17 1.01 -1.26 -0.05 121.20 125.34 2cqa s ILE 78 Ca 0.28 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.50 2cqa s ILE 78 Cb -0.13 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2cqa s ILE 78 CO 0.16 0.53 -0.20 -0.44 0.00 0.00 0.00 174.94 174.99 2cqa s SER 79 N 0.02 2.42 -0.01 3.58 0.01 -1.19 -4.91 113.70 113.62 2cqa s SER 79 Ca -0.02 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.67 2cqa s SER 79 Cb -0.14 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 2cqa s SER 79 CO 0.03 0.20 0.36 -0.75 0.41 0.00 0.00 173.24 173.49 2cqa s LYS 80 N -0.87 3.80 0.00 12.44 2.20 -1.26 -1.19 119.74 134.86 2cqa s LYS 80 Ca 0.08 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2cqa s LYS 80 Cb -0.08 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2cqa s LYS 80 CO 0.01 0.69 0.00 1.28 -0.36 0.00 0.00 175.35 176.97 2cqa n LEU 81 N 1.72 0.86 0.00 5.43 4.77 -1.07 -4.98 117.00 123.73 2cqa n LEU 81 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2cqa n LEU 81 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2cqa n LEU 81 CO 0.37 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2cqa n GLY 82 N 3.14 2.62 3.26 -0.72 0.00 -1.14 -5.01 105.19 107.33 2cqa n GLY 82 Ca 0.00 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 2cqa n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa n ARG 83 N -0.98 0.08 -2.61 1.61 3.00 -1.26 -3.96 116.66 112.54 2cqa n ARG 83 Ca 0.00 0.03 -0.42 0.00 -0.01 0.00 0.00 57.85 57.45 2cqa n ARG 83 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 32.46 31.30 2cqa n ARG 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cqa s SER 84 N -1.05 6.45 0.15 0.55 0.15 -1.26 -4.93 113.70 113.76 2cqa s SER 84 Ca 0.57 0.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.25 2cqa s SER 84 Cb -0.45 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.26 2cqa s SER 84 CO 0.66 -1.43 0.41 -0.36 1.20 0.00 0.00 173.24 173.72 2cqa s PHE 85 N 4.79 3.48 -0.14 3.44 0.40 -1.26 -5.10 117.98 123.59 2cqa s PHE 85 Ca 0.42 0.65 -0.19 0.00 -0.60 0.00 0.00 56.93 57.21 2cqa s PHE 85 Cb -0.08 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.42 2cqa s PHE 85 CO 0.25 0.42 0.50 -0.08 0.70 0.00 0.00 175.22 177.01 2cqa s THR 86 N -1.65 0.01 -0.57 0.64 -1.32 -1.26 -5.12 115.64 106.37 2cqa s THR 86 Ca 0.41 -0.09 -0.13 0.00 -1.21 0.00 0.00 61.69 60.67 2cqa s THR 86 Cb -0.12 -0.73 0.14 0.00 -1.51 0.00 0.00 72.50 70.28 2cqa s THR 86 CO 0.23 -0.05 0.49 0.00 -2.21 0.00 0.00 174.62 173.08 2cqa s ARG 87 N -0.24 2.90 -0.04 7.08 1.70 -1.26 -5.02 118.95 124.07 2cqa s ARG 87 Ca -0.04 -1.90 -0.28 0.00 -0.47 0.00 0.00 55.73 53.04 2cqa s ARG 87 Cb -0.03 -4.17 0.06 0.00 -0.57 0.00 0.00 34.95 30.24 2cqa s ARG 87 CO 0.03 -1.27 0.61 0.00 -1.08 0.00 0.00 175.30 173.59 2cqa s ALA 88 N 1.19 -1.59 -0.05 7.88 0.00 -1.26 -5.16 121.76 122.77 2cqa s ALA 88 Ca 0.07 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 2cqa s ALA 88 Cb -0.25 0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2cqa s ALA 88 CO -0.01 -0.37 0.06 1.03 0.00 0.00 0.00 175.76 176.48 2cqa s ARG 89 N -1.31 -0.03 -0.09 0.00 0.52 -1.26 -5.04 118.95 111.74 2cqa s ARG 89 Ca -0.11 0.32 -0.27 0.00 -0.52 0.00 0.00 55.73 55.15 2cqa s ARG 89 Cb -0.01 -0.67 -0.25 0.00 0.52 0.00 0.00 34.95 34.55 2cqa s ARG 89 CO 0.08 -0.36 0.93 0.77 0.02 0.00 0.00 175.30 176.74 2cqa h SER 90 N 8.43 0.09 -0.37 0.23 0.02 -2.05 -3.51 113.55 116.40 2cqa h SER 90 Ca -0.13 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 2cqa h SER 90 Cb 1.12 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2cqa h SER 90 CO 0.17 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 2cqa n GLY 91 N 1.23 0.71 3.57 -3.77 0.00 -1.26 -4.96 105.19 100.72 2cqa n GLY 91 Ca -0.10 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.82 2.51 -0.66 1.61 0.04 -1.26 -4.90 135.00 131.52 2cqa s PRO 92 Ca 0.00 -0.85 -0.18 0.00 0.04 0.00 0.00 61.00 60.01 2cqa s PRO 92 Cb 0.00 -5.18 0.13 0.00 0.04 0.00 0.00 34.50 29.49 2cqa s PRO 92 CO 0.00 -3.77 0.75 0.45 0.04 0.00 0.00 177.00 174.47 2cqa s SER 93 N 7.06 6.32 -1.41 6.66 0.15 -1.26 -4.58 113.70 126.63 2cqa s SER 93 Ca 0.69 -1.72 -0.14 0.00 0.70 0.00 0.00 55.95 55.48 2cqa s SER 93 Cb -0.03 -2.29 0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2cqa s SER 93 CO 0.08 -1.01 0.26 -0.24 1.20 0.00 0.00 173.24 173.54 2cqa n SER 94 N 5.91 -1.00 0.00 5.45 2.88 -1.26 -5.25 113.62 120.36 2cqa n SER 94 Ca -0.03 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 2cqa n SER 94 Cb 0.44 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42