#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 3.10 -0.09 1.61 0.01 -1.26 -5.04 113.70 112.04 2cqa s SER 2 Ca 0.00 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.48 2cqa s SER 2 Cb 0.00 -0.88 -0.24 0.00 0.21 0.00 0.00 66.02 65.11 2cqa s SER 2 CO 0.00 0.24 0.98 0.77 0.41 0.00 0.00 173.24 175.64 2cqa h SER 3 N 6.09 0.01 0.00 2.44 4.64 -2.14 -3.50 113.55 121.10 2cqa h SER 3 Ca -0.31 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 2cqa h SER 3 Cb 1.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2cqa h SER 3 CO 0.47 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.84 2cqa n GLY 4 N 1.03 4.29 3.79 -0.77 0.00 -1.26 -5.14 105.19 107.13 2cqa n GLY 4 Ca -0.09 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 5.77 -0.13 1.61 0.01 -1.26 -5.04 113.70 114.65 2cqa s SER 5 Ca 0.00 0.20 -0.33 0.00 1.31 0.00 0.00 55.95 57.13 2cqa s SER 5 Cb 0.00 -1.69 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2cqa s SER 5 CO 0.00 0.30 1.99 -0.24 0.41 0.00 0.00 173.24 175.69 2cqa n SER 6 N 1.34 3.31 -2.60 2.44 2.88 -1.26 -4.87 113.62 114.87 2cqa n SER 6 Ca -0.14 0.77 -0.12 0.00 -1.33 0.00 0.00 58.87 58.05 2cqa n SER 6 Cb 0.53 -1.40 0.03 0.00 -0.75 0.00 0.00 64.21 62.62 2cqa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqa n GLY 7 N 4.93 3.02 1.54 0.46 0.00 -1.26 -4.84 105.19 109.03 2cqa n GLY 7 Ca 0.26 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2cqa n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cqa n LYS 8 N -0.33 2.44 -3.80 1.61 5.02 -1.26 -4.96 118.16 116.88 2cqa n LYS 8 Ca 0.19 -3.50 -0.18 0.00 -2.02 0.00 0.00 58.31 52.80 2cqa n LYS 8 Cb 0.80 -2.00 -0.17 0.00 -0.02 0.00 0.00 35.03 33.64 2cqa n LYS 8 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2cqa s GLU 9 N -3.43 0.13 -0.43 1.97 2.02 -1.26 -5.09 118.70 112.61 2cqa s GLU 9 Ca 0.49 0.19 -0.41 0.00 0.02 0.00 0.00 54.97 55.27 2cqa s GLU 9 Cb 0.42 -0.47 -0.16 0.00 0.10 0.00 0.00 34.13 34.02 2cqa s GLU 9 CO 0.00 -0.21 2.12 -1.91 0.02 0.00 0.00 175.26 175.28 2cqa n GLU 10 N 4.57 0.46 -4.46 1.61 2.13 -1.26 -4.90 120.64 118.79 2cqa n GLU 10 Ca -0.19 0.13 -0.23 0.00 0.66 0.00 0.00 57.16 57.53 2cqa n GLU 10 Cb 0.50 -1.89 -0.09 0.00 0.27 0.00 0.00 31.44 30.23 2cqa n GLU 10 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2cqa s THR 11 N 6.27 0.70 -1.62 6.31 -4.23 -1.26 -4.82 115.64 117.00 2cqa s THR 11 Ca 1.14 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2cqa s THR 11 Cb -1.24 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2cqa s THR 11 CO 0.60 0.00 0.06 -0.62 -0.54 0.00 0.00 174.62 174.12 2cqa n GLU 12 N -0.78 -1.86 -3.85 3.99 -0.58 -1.26 -4.91 120.64 111.39 2cqa n GLU 12 Ca -0.04 0.92 -0.12 0.00 -0.42 0.00 0.00 57.16 57.51 2cqa n GLU 12 Cb 0.65 -5.50 -0.11 0.00 -0.57 0.00 0.00 31.44 25.91 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2cqa s ILE 13 N -2.98 0.05 -0.05 -3.67 1.01 -1.26 -1.01 121.20 113.29 2cqa s ILE 13 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2cqa s ILE 13 Cb -0.01 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.14 2cqa s ILE 13 CO 0.04 -0.23 0.11 -0.63 0.00 0.00 0.00 174.94 174.22 2cqa s ILE 14 N -0.80 -0.08 0.12 2.92 1.01 -0.66 -4.97 121.20 118.74 2cqa s ILE 14 Ca -0.09 0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.86 2cqa s ILE 14 Cb -0.05 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 2cqa s ILE 14 CO 0.01 0.10 -0.07 -0.70 0.00 0.00 0.00 174.94 174.28 2cqa s GLU 15 N 1.35 2.23 -0.04 2.79 -6.30 -1.26 -0.96 118.70 116.51 2cqa s GLU 15 Ca -0.07 -1.02 -0.30 0.00 -2.50 0.00 0.00 54.97 51.09 2cqa s GLU 15 Cb -0.12 -2.35 0.11 0.00 0.00 0.00 0.00 34.13 31.77 2cqa s GLU 15 CO -0.05 0.50 0.94 0.20 0.02 0.00 0.00 175.26 176.87 2cqa s GLY 16 N -2.36 -0.43 -0.57 -1.50 0.00 -1.17 -4.92 107.32 96.37 2cqa s GLY 16 Ca 0.23 1.14 -0.28 0.00 0.00 0.00 0.00 44.72 45.81 2cqa s GLY 16 CO 0.15 0.39 1.16 1.85 0.00 0.00 0.00 173.10 176.66 2cqa s GLU 17 N -2.94 3.51 -0.21 2.90 2.12 -1.22 -2.94 118.70 119.92 2cqa s GLU 17 Ca 0.05 0.23 -0.42 0.00 0.36 0.00 0.00 54.97 55.19 2cqa s GLU 17 Cb -0.01 -4.01 -0.19 0.00 0.26 0.00 0.00 34.13 30.19 2cqa s GLU 17 CO -0.08 -1.64 1.43 0.28 -0.54 0.00 0.00 175.26 174.71 2cqa n VAL 18 N 6.64 0.06 -0.07 3.70 0.31 0.72 -1.85 118.33 127.84 2cqa n VAL 18 Ca 0.08 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 2cqa n VAL 18 Cb 0.49 -0.56 -0.05 0.00 -0.91 0.00 0.00 33.84 32.81 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 3.15 0.79 -3.76 2.52 0.31 0.14 -0.60 118.33 120.87 2cqa n VAL 19 Ca 0.25 -0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 2cqa n VAL 19 Cb 0.06 -1.60 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.27 0.42 -0.09 5.55 2.12 -1.11 -4.68 118.70 118.64 2cqa s GLU 20 Ca -0.20 0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 2cqa s GLU 20 Cb 0.07 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.69 2cqa s GLU 20 CO 0.26 -0.06 -0.02 0.42 -0.54 0.00 0.00 175.26 175.32 2cqa s ILE 21 N -0.02 0.57 0.07 -3.70 1.01 -1.26 -0.94 121.20 116.93 2cqa s ILE 21 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.67 2cqa s ILE 21 Cb -0.03 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2cqa s ILE 21 CO 0.01 0.26 -0.23 -1.58 0.00 0.00 0.00 174.94 173.40 2cqa s GLN 22 N 1.89 1.43 -0.00 2.79 0.74 0.29 -4.97 119.66 121.83 2cqa s GLN 22 Ca 0.05 -1.08 0.00 0.00 0.05 0.00 0.00 55.36 54.38 2cqa s GLN 22 Cb -0.13 -1.64 0.01 0.00 1.10 0.00 0.00 33.01 32.35 2cqa s GLN 22 CO -0.06 0.41 0.00 0.42 -0.55 0.00 0.00 175.29 175.51 2cqa s ILE 23 N -0.91 0.01 -0.37 -2.34 1.09 -1.26 0.32 121.20 117.75 2cqa s ILE 23 Ca 0.09 0.04 -0.05 0.00 -1.10 0.00 0.00 60.65 59.63 2cqa s ILE 23 Cb -0.09 -0.04 0.07 0.00 -1.06 0.00 0.00 42.46 41.33 2cqa s ILE 23 CO 0.03 0.02 0.14 -1.81 -0.10 0.00 0.00 174.94 173.22 2cqa s ASP 24 N 0.22 5.27 0.65 3.58 1.01 0.10 -4.97 116.67 122.54 2cqa s ASP 24 Ca -0.02 -1.48 -0.17 0.00 0.71 0.00 0.00 52.55 51.59 2cqa s ASP 24 Cb -0.03 -1.85 -0.07 0.00 1.01 0.00 0.00 42.92 41.98 2cqa s ASP 24 CO -0.01 -0.41 0.41 0.54 0.21 0.00 0.00 175.17 175.91 2cqa n ARG 25 N 4.74 0.35 -0.48 8.23 3.00 -1.26 -3.56 116.66 127.67 2cqa n ARG 25 Ca -0.09 0.15 -0.14 0.00 -0.01 0.00 0.00 57.85 57.75 2cqa n ARG 25 Cb 0.43 -1.67 0.12 0.00 0.00 0.00 0.00 32.46 31.34 2cqa n ARG 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2cqa n PRO 26 N -0.13 -2.01 -3.39 5.56 -0.04 -1.26 -4.44 135.00 129.29 2cqa n PRO 26 Ca 0.10 -0.81 -0.19 0.00 -0.04 0.00 0.00 63.50 62.56 2cqa n PRO 26 Cb 0.49 -0.76 0.07 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.87 -1.15 -0.00 0.55 0.00 -1.26 -4.90 120.51 109.88 2cqa n ALA 27 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2cqa n ALA 27 Cb 0.27 -4.41 -0.01 0.00 0.00 0.00 0.00 19.45 15.30 2cqa n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2cqa n THR 28 N -4.48 0.01 -2.54 0.00 5.66 -1.26 -4.91 114.28 106.76 2cqa n THR 28 Ca -0.02 -0.03 -0.01 0.00 -3.05 0.00 0.00 64.05 60.94 2cqa n THR 28 Cb 0.56 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 2cqa n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqa n GLY 29 N 2.52 -0.79 3.69 1.09 0.00 -1.26 -4.99 105.19 105.45 2cqa n GLY 29 Ca -0.01 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2cqa n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cqa n THR 30 N -0.20 -3.62 -3.97 2.61 -1.04 -1.26 -4.99 114.28 101.81 2cqa n THR 30 Ca -0.07 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.05 61.57 2cqa n THR 30 Cb 0.55 -3.79 -0.15 0.00 -1.82 0.00 0.00 70.33 65.12 2cqa n THR 30 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2cqa s GLY 31 N -3.76 0.18 1.12 3.41 0.00 -1.26 -5.09 107.32 101.92 2cqa s GLY 31 Ca 0.36 0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.96 2cqa s GLY 31 CO 0.78 0.26 0.49 1.44 0.00 0.00 0.00 173.10 176.07 2cqa n SER 32 N 3.58 -3.29 -4.76 1.64 7.64 -1.26 -4.43 113.62 112.74 2cqa n SER 32 Ca -0.20 -0.51 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 2cqa n SER 32 Cb 0.55 -0.83 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 2cqa n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cqa s LYS 33 N -3.88 4.28 -0.03 1.43 2.20 -1.26 -4.80 119.74 117.68 2cqa s LYS 33 Ca 0.43 2.30 0.01 0.00 -0.36 0.00 0.00 55.97 58.35 2cqa s LYS 33 Cb -0.08 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2cqa s LYS 33 CO 0.38 -0.34 -0.01 0.14 -0.36 0.00 0.00 175.35 175.16 2cqa s VAL 34 N -0.59 0.25 0.06 4.02 -7.23 -1.23 -3.73 120.40 111.95 2cqa s VAL 34 Ca 0.54 0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.74 2cqa s VAL 34 Cb -0.42 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 2cqa s VAL 34 CO 0.50 0.15 -0.06 -0.83 -0.31 0.00 0.00 175.10 174.55 2cqa s GLY 35 N 0.84 0.56 -0.16 2.32 0.00 -0.08 0.03 107.32 110.83 2cqa s GLY 35 Ca -0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 2cqa s GLY 35 CO -0.01 -1.14 -0.12 0.54 0.00 0.00 0.00 173.10 172.37 2cqa s LYS 36 N -2.91 3.30 -0.08 2.90 -0.14 0.15 -0.55 119.74 122.43 2cqa s LYS 36 Ca 0.01 -0.70 0.04 0.00 -1.36 0.00 0.00 55.97 53.96 2cqa s LYS 36 Cb -0.00 -2.72 -0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2cqa s LYS 36 CO -0.04 0.02 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.18 2cqa s LEU 37 N 0.85 2.28 -0.14 3.17 2.96 -0.79 -0.54 118.68 126.46 2cqa s LEU 37 Ca -0.04 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2cqa s LEU 37 Cb -0.15 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.11 2cqa s LEU 37 CO 0.00 0.23 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.17 2cqa s THR 38 N -0.08 1.99 -0.04 3.68 2.01 -0.11 0.26 115.64 123.34 2cqa s THR 38 Ca -0.05 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.07 2cqa s THR 38 Cb -0.14 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2cqa s THR 38 CO 0.04 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.56 2cqa s LEU 39 N 0.92 2.47 -0.51 4.42 1.02 -0.45 0.23 118.68 126.78 2cqa s LEU 39 Ca -0.05 -0.30 -0.21 0.00 0.02 0.00 0.00 54.13 53.58 2cqa s LEU 39 Cb -0.15 -1.47 0.05 0.00 0.02 0.00 0.00 46.19 44.63 2cqa s LEU 39 CO -0.04 0.33 0.76 -0.75 0.02 0.00 0.00 176.35 176.67 2cqa s LYS 40 N -0.64 3.24 0.41 1.70 2.20 -0.77 -1.60 119.74 124.27 2cqa s LYS 40 Ca 0.10 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.24 2cqa s LYS 40 Cb -0.11 -4.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.17 2cqa s LYS 40 CO 0.00 -1.30 0.55 0.95 -0.36 0.00 0.00 175.35 175.20 2cqa s THR 41 N 3.21 3.06 -0.36 3.43 -4.23 0.45 -3.43 115.64 117.77 2cqa s THR 41 Ca 0.23 -1.02 -0.32 0.00 -1.18 0.00 0.00 61.69 59.40 2cqa s THR 41 Cb -0.16 -3.03 -0.14 0.00 1.34 0.00 0.00 72.50 70.52 2cqa s THR 41 CO 0.16 -0.01 1.46 0.41 -0.54 0.00 0.00 174.62 176.10 2cqa n THR 42 N -1.82 0.00 -3.61 3.99 -1.04 -1.26 0.72 114.28 111.26 2cqa n THR 42 Ca 0.07 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.85 2cqa n THR 42 Cb 0.59 -0.36 -0.06 0.00 -1.82 0.00 0.00 70.33 68.68 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 4.91 -0.90 -3.54 -2.82 1.02 -1.26 -4.83 120.64 113.22 2cqa n GLU 43 Ca 0.36 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.47 2cqa n GLU 43 Cb -0.03 -2.63 -0.04 0.00 -0.02 0.00 0.00 31.44 28.72 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 -5.55 0.73 -0.15 3.49 0.00 0.22 -5.15 119.30 112.89 2cqa s MET 44 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 55.69 55.90 2cqa s MET 44 Cb -0.13 0.34 0.03 0.00 0.00 0.00 0.00 34.83 35.08 2cqa s MET 44 CO 0.66 -0.27 -0.10 -2.00 0.00 0.00 0.00 175.02 173.31 2cqa s GLU 45 N -1.88 1.90 0.07 4.11 2.12 -1.26 0.17 118.70 123.93 2cqa s GLU 45 Ca -0.00 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.84 2cqa s GLU 45 Cb -0.01 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.34 2cqa s GLU 45 CO -0.01 -0.31 0.05 0.99 -0.54 0.00 0.00 175.26 175.43 2cqa s THR 46 N 1.56 4.36 -0.26 -1.70 2.01 -0.63 -4.96 115.64 116.02 2cqa s THR 46 Ca 0.03 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 2cqa s THR 46 Cb -0.14 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.34 2cqa s THR 46 CO -0.09 0.17 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.32 2cqa s ILE 47 N -1.31 2.80 0.20 1.82 1.09 -1.26 -1.34 121.20 123.19 2cqa s ILE 47 Ca 0.27 -1.15 -0.06 0.00 -1.10 0.00 0.00 60.65 58.60 2cqa s ILE 47 Cb -0.12 -2.47 -0.06 0.00 -1.06 0.00 0.00 42.46 38.75 2cqa s ILE 47 CO 0.19 0.13 0.46 -0.31 -0.10 0.00 0.00 174.94 175.31 2cqa s TYR 48 N 1.29 3.46 -0.27 3.97 1.51 0.14 -4.96 117.35 122.48 2cqa s TYR 48 Ca -0.02 0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 56.60 2cqa s TYR 48 Cb -0.17 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2cqa s TYR 48 CO -0.04 0.34 0.17 0.16 -1.11 0.00 0.00 175.55 175.07 2cqa s ASP 49 N -2.57 5.93 -0.12 2.29 -4.77 -1.26 -1.89 116.67 114.28 2cqa s ASP 49 Ca 0.43 -0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.60 2cqa s ASP 49 Cb -0.12 -2.10 -0.04 0.00 -1.09 0.00 0.00 42.92 39.58 2cqa s ASP 49 CO 0.25 -0.04 0.10 -0.76 0.70 0.00 0.00 175.17 175.42 2cqa s LEU 50 N 1.67 4.16 0.00 2.11 1.43 0.29 -4.99 118.68 123.35 2cqa s LEU 50 Ca 0.07 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2cqa s LEU 50 Cb -0.16 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2cqa s LEU 50 CO 0.10 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.65 2cqa n GLY 51 N 2.25 0.20 0.99 -3.19 0.00 -1.26 -0.90 105.19 103.28 2cqa n GLY 51 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.94 -0.27 2.61 -1.04 -1.24 -3.57 114.28 111.71 2cqa n THR 52 Ca 0.00 0.31 0.07 0.00 -2.04 0.00 0.00 64.05 62.39 2cqa n THR 52 Cb 0.00 -1.48 0.22 0.00 -1.82 0.00 0.00 70.33 67.25 2cqa n THR 52 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2cqa h LYS 53 N -0.03 0.37 -0.29 -2.82 2.10 -1.94 -0.77 116.57 113.19 2cqa h LYS 53 Ca 0.00 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.69 2cqa h LYS 53 Cb 0.03 -0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 31.22 2cqa h LYS 53 CO 0.00 0.25 -0.12 0.52 -2.00 0.00 0.00 179.45 178.10 2cqa h MET 54 N 0.38 -0.07 -0.67 0.07 2.86 -1.87 -1.85 114.93 113.79 2cqa h MET 54 Ca 0.45 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 58.13 2cqa h MET 54 Cb 0.76 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 2cqa h MET 54 CO -0.47 -0.04 0.41 0.82 1.06 0.00 0.00 176.91 178.69 2cqa h ILE 55 N -0.07 1.07 -0.63 -1.22 2.04 -1.43 -1.06 117.51 116.22 2cqa h ILE 55 Ca 0.15 -0.28 0.18 0.00 1.00 0.00 0.00 64.86 65.92 2cqa h ILE 55 Cb 0.29 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2cqa h ILE 55 CO -0.34 0.15 0.60 -0.33 0.00 0.00 0.00 178.15 178.23 2cqa h GLU 56 N 0.80 0.00 0.09 2.37 5.08 -0.51 -0.21 114.58 122.19 2cqa h GLU 56 Ca 0.27 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.38 2cqa h GLU 56 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2cqa h GLU 56 CO -0.12 0.00 -1.31 1.03 -1.00 0.00 0.00 179.01 177.62 2cqa h SER 57 N 0.00 0.28 -0.05 1.42 0.87 -1.01 -3.14 113.55 111.92 2cqa h SER 57 Ca 0.30 -0.81 0.02 0.00 -1.23 0.00 0.00 61.79 60.07 2cqa h SER 57 Cb 1.49 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2cqa h SER 57 CO -0.00 1.56 0.11 -0.07 -0.53 0.00 0.00 176.83 177.90 2cqa h LEU 58 N -0.46 0.00 0.01 2.23 3.38 -0.51 -2.33 115.31 117.62 2cqa h LEU 58 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 2cqa h LEU 58 Cb 1.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2cqa h LEU 58 CO 0.01 0.00 -0.55 0.71 0.09 0.00 0.00 178.44 178.70 2cqa h THR 59 N 0.00 1.43 -1.03 0.22 1.35 -1.34 0.39 112.91 113.92 2cqa h THR 59 Ca 0.03 -2.29 0.26 0.00 -0.55 0.00 0.00 66.41 63.86 2cqa h THR 59 Cb 0.24 2.92 -0.10 0.00 -1.73 0.00 0.00 68.15 69.49 2cqa h THR 59 CO -0.00 0.50 0.66 0.11 -0.25 0.00 0.00 175.52 176.54 2cqa h LYS 60 N -0.96 0.42 -0.00 4.72 1.57 -1.37 0.12 116.57 121.06 2cqa h LYS 60 Ca -0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2cqa h LYS 60 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2cqa h LYS 60 CO -0.08 0.27 -0.71 -0.25 -0.57 0.00 0.00 179.45 178.12 2cqa n ASP 61 N -4.66 0.80 -2.68 0.86 8.00 -1.04 -4.99 116.55 112.85 2cqa n ASP 61 Ca 0.25 -0.90 -0.20 0.00 0.71 0.00 0.00 54.79 54.65 2cqa n ASP 61 Cb 0.85 0.96 0.02 0.00 -0.02 0.00 0.00 41.12 42.94 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cqa n LYS 62 N -1.29 -3.92 -1.53 -1.24 4.76 0.71 -4.85 118.16 110.80 2cqa n LYS 62 Ca 0.03 0.87 -0.59 0.00 -2.87 0.00 0.00 58.31 55.75 2cqa n LYS 62 Cb 0.25 -5.56 -0.08 0.00 -1.84 0.00 0.00 35.03 27.80 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 -4.34 0.00 -4.43 -0.18 0.31 0.10 -4.95 118.33 104.84 2cqa n VAL 63 Ca -0.13 -0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 2cqa n VAL 63 Cb 0.63 -0.13 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.33 1.69 0.16 5.55 -0.21 -1.26 -4.95 119.66 120.96 2cqa s GLN 64 Ca 0.92 -1.97 -0.31 0.00 0.02 0.00 0.00 55.36 54.02 2cqa s GLN 64 Cb -1.26 -0.55 -0.09 0.00 1.00 0.00 0.00 33.01 32.12 2cqa s GLN 64 CO 0.58 -0.34 1.38 0.00 -2.12 0.00 0.00 175.29 174.79 2cqa s ALA 65 N -3.41 3.59 0.00 6.09 0.00 -1.26 -3.29 121.76 123.48 2cqa s ALA 65 Ca 0.33 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2cqa s ALA 65 Cb 0.06 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2cqa s ALA 65 CO 0.15 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2cqa n GLY 66 N 3.00 0.49 3.95 0.00 0.00 0.23 -4.98 105.19 107.88 2cqa n GLY 66 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.04 4.72 -0.25 1.61 1.01 -1.21 -4.79 116.67 116.72 2cqa s ASP 67 Ca 0.00 0.18 -0.00 0.00 0.71 0.00 0.00 52.55 53.44 2cqa s ASP 67 Cb 0.00 -0.80 0.04 0.00 1.01 0.00 0.00 42.92 43.17 2cqa s ASP 67 CO 0.00 -1.62 -0.08 -0.69 0.21 0.00 0.00 175.17 172.99 2cqa s VAL 68 N -3.16 2.62 0.11 -1.27 1.01 -1.26 -0.20 120.40 118.25 2cqa s VAL 68 Ca 0.62 -1.22 0.10 0.00 0.00 0.00 0.00 61.98 61.48 2cqa s VAL 68 Cb -0.09 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2cqa s VAL 68 CO 0.44 0.14 -0.23 0.27 0.00 0.00 0.00 175.10 175.71 2cqa s ILE 69 N 1.26 2.47 0.30 2.22 -5.25 -1.15 -1.56 121.20 119.49 2cqa s ILE 69 Ca -0.02 -1.59 0.04 0.00 -0.99 0.00 0.00 60.65 58.08 2cqa s ILE 69 Cb -0.17 -2.09 -0.02 0.00 2.95 0.00 0.00 42.46 43.12 2cqa s ILE 69 CO -0.05 0.14 0.45 0.42 -1.79 0.00 0.00 174.94 174.11 2cqa s THR 70 N -1.05 4.81 -0.19 8.37 -4.23 0.11 -3.04 115.64 120.42 2cqa s THR 70 Ca 0.15 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2cqa s THR 70 Cb -0.10 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.08 2cqa s THR 70 CO 0.07 -0.32 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.18 2cqa s ILE 71 N -2.14 0.91 -0.48 2.99 1.01 -0.13 -2.44 121.20 120.91 2cqa s ILE 71 Ca 0.39 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 2cqa s ILE 71 Cb -0.09 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.18 2cqa s ILE 71 CO 0.32 -0.06 0.52 -1.81 0.00 0.00 0.00 174.94 173.90 2cqa s ASP 72 N 1.70 6.19 0.18 3.58 1.11 0.06 -1.65 116.67 127.84 2cqa s ASP 72 Ca -0.01 -1.01 -0.04 0.00 0.18 0.00 0.00 52.55 51.67 2cqa s ASP 72 Cb -0.17 -2.24 0.07 0.00 1.07 0.00 0.00 42.92 41.65 2cqa s ASP 72 CO -0.07 -0.76 1.48 0.11 1.18 0.00 0.00 175.17 177.11 2cqa h LYS 73 N 8.87 0.59 -0.93 8.23 1.57 -1.37 1.05 116.57 134.58 2cqa h LYS 73 Ca -0.28 -0.39 0.37 0.00 -1.87 0.00 0.00 60.65 58.49 2cqa h LYS 73 Cb 1.10 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.29 2cqa h LYS 73 CO 0.91 1.00 0.44 0.00 -0.57 0.00 0.00 179.45 181.23 2cqa n ALA 74 N -2.53 0.90 0.00 3.86 0.00 -1.24 -3.00 120.51 118.50 2cqa n ALA 74 Ca -0.04 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.36 2cqa n ALA 74 Cb 0.62 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -5.14 0.00 0.00 0.00 5.66 -1.21 -5.06 114.28 108.54 2cqa n THR 75 Ca 0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 2cqa n THR 75 Cb 1.14 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 3.09 1.95 3.78 1.09 0.00 0.36 -5.11 105.19 110.35 2cqa n GLY 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.56 2.88 -0.16 1.61 1.02 -0.91 -4.39 119.74 119.22 2cqa s LYS 77 Ca 0.00 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.27 2cqa s LYS 77 Cb 0.00 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2cqa s LYS 77 CO 0.00 0.54 -0.20 0.42 -0.92 0.00 0.00 175.35 175.20 2cqa s ILE 78 N -1.48 2.15 0.15 2.17 1.01 -1.26 -0.77 121.20 123.17 2cqa s ILE 78 Ca 0.30 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2cqa s ILE 78 Cb -0.12 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2cqa s ILE 78 CO 0.22 0.54 0.09 -0.55 0.00 0.00 0.00 174.94 175.24 2cqa s SER 79 N 1.06 5.29 -0.12 3.58 0.15 -1.02 -4.84 113.70 117.80 2cqa s SER 79 Ca -0.01 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.41 2cqa s SER 79 Cb -0.14 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 2cqa s SER 79 CO -0.07 0.09 0.04 -0.75 1.20 0.00 0.00 173.24 173.75 2cqa s LYS 80 N -2.93 3.38 0.25 5.44 2.20 -1.26 0.05 119.74 126.86 2cqa s LYS 80 Ca 0.29 -0.35 0.10 0.00 -0.36 0.00 0.00 55.97 55.65 2cqa s LYS 80 Cb -0.10 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2cqa s LYS 80 CO 0.22 0.57 -0.05 -0.51 -0.36 0.00 0.00 175.35 175.22 2cqa s LEU 81 N -0.49 3.07 0.62 5.43 1.43 -0.60 -4.96 118.68 123.19 2cqa s LEU 81 Ca 0.09 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 2cqa s LEU 81 Cb -0.12 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2cqa s LEU 81 CO 0.02 0.03 1.24 -0.83 0.23 0.00 0.00 176.35 177.04 2cqa s GLY 82 N -3.46 2.74 0.31 -3.19 0.00 -1.26 -4.44 107.32 98.02 2cqa s GLY 82 Ca 0.30 1.06 -0.22 0.00 0.00 0.00 0.00 44.72 45.86 2cqa s GLY 82 CO 0.18 1.47 0.22 0.54 0.00 0.00 0.00 173.10 175.51 2cqa n ARG 83 N -1.80 0.00 -1.51 2.90 5.12 -1.26 -4.44 116.66 115.67 2cqa n ARG 83 Ca 0.14 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.67 2cqa n ARG 83 Cb 0.49 -0.92 -0.14 0.00 -1.16 0.00 0.00 32.46 30.73 2cqa n ARG 83 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2cqa n SER 84 N 2.05 0.52 -4.13 0.55 3.41 -1.26 -4.80 113.62 109.97 2cqa n SER 84 Ca 0.12 0.05 -0.37 0.00 -0.26 0.00 0.00 58.87 58.42 2cqa n SER 84 Cb 0.32 -1.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.30 2cqa n SER 84 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2cqa n PHE 85 N 11.15 -4.03 -3.73 7.33 3.72 -1.26 -5.00 117.46 125.64 2cqa n PHE 85 Ca 0.62 0.17 -0.14 0.00 -0.05 0.00 0.00 57.45 58.06 2cqa n PHE 85 Cb 0.11 -1.56 -0.14 0.00 -0.94 0.00 0.00 39.48 36.94 2cqa n PHE 85 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2cqa s THR 86 N -2.01 -0.09 -0.07 4.37 -1.32 -1.26 -5.15 115.64 110.12 2cqa s THR 86 Ca 0.48 0.19 -0.03 0.00 -1.21 0.00 0.00 61.69 61.12 2cqa s THR 86 Cb -0.31 -0.30 0.04 0.00 -1.51 0.00 0.00 72.50 70.43 2cqa s THR 86 CO 0.75 0.08 0.17 -0.13 -2.21 0.00 0.00 174.62 173.28 2cqa s ARG 87 N 1.38 0.11 0.47 7.08 1.81 -1.26 -5.16 118.95 123.38 2cqa s ARG 87 Ca -0.07 0.40 -0.08 0.00 -1.72 0.00 0.00 55.73 54.26 2cqa s ARG 87 Cb -0.11 -0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.17 2cqa s ARG 87 CO -0.07 -0.17 0.80 0.00 -0.68 0.00 0.00 175.30 175.19 2cqa s ALA 88 N 1.20 3.35 -0.02 2.13 0.00 -1.26 -5.04 121.76 122.12 2cqa s ALA 88 Ca -0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 2cqa s ALA 88 Cb -0.11 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2cqa s ALA 88 CO -0.07 -0.26 -0.13 -2.13 0.00 0.00 0.00 175.76 173.18 2cqa n ARG 89 N -1.95 0.20 -3.85 0.00 0.63 -1.26 -4.98 116.66 105.45 2cqa n ARG 89 Ca 0.02 0.08 -0.36 0.00 -0.92 0.00 0.00 57.85 56.67 2cqa n ARG 89 Cb 0.55 -0.80 -0.13 0.00 0.45 0.00 0.00 32.46 32.52 2cqa n ARG 89 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2cqa s SER 90 N -5.76 5.04 0.00 6.15 0.01 -1.26 -4.87 113.70 113.01 2cqa s SER 90 Ca -0.11 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2cqa s SER 90 Cb 0.01 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2cqa s SER 90 CO 0.16 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2cqa n GLY 91 N 4.70 0.83 2.39 3.44 0.00 -1.26 -5.16 105.19 110.12 2cqa n GLY 91 Ca -0.13 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2cqa n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqa n PRO 92 N 0.00 -2.48 -4.46 1.61 -0.04 -1.26 -5.01 135.00 123.37 2cqa n PRO 92 Ca 0.00 -1.19 -0.22 0.00 -0.04 0.00 0.00 63.50 62.05 2cqa n PRO 92 Cb 0.00 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 2cqa n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqa s SER 93 N -3.52 2.85 -0.44 3.54 0.15 -1.26 -5.06 113.70 109.97 2cqa s SER 93 Ca 0.48 -1.24 -0.27 0.00 0.70 0.00 0.00 55.95 55.63 2cqa s SER 93 Cb -0.05 -0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 64.00 2cqa s SER 93 CO 0.37 -0.39 2.37 -1.20 1.20 0.00 0.00 173.24 175.60 2cqa n SER 94 N -0.65 2.46 0.00 5.45 7.64 -1.26 -5.34 113.62 121.92 2cqa n SER 94 Ca -0.05 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.56 2cqa n SER 94 Cb 0.64 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64