#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 -0.42 0.16 1.61 1.04 -1.26 -5.19 113.70 109.64 2cqa s SER 2 Ca 0.00 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 2cqa s SER 2 Cb 0.00 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2cqa s SER 2 CO 0.00 -0.89 0.17 -0.44 0.98 0.00 0.00 173.24 173.06 2cqa s SER 3 N -2.70 0.17 0.00 7.02 0.01 -1.26 -5.15 113.70 111.79 2cqa s SER 3 Ca 0.05 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.21 2cqa s SER 3 Cb -0.02 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2cqa s SER 3 CO -0.07 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2cqa n GLY 4 N -0.17 3.98 2.78 3.44 0.00 -1.26 -5.10 105.19 108.86 2cqa n GLY 4 Ca -0.05 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 3.91 0.36 1.61 0.01 -1.26 -5.11 113.70 113.22 2cqa s SER 5 Ca 0.00 -2.50 -0.27 0.00 1.31 0.00 0.00 55.95 54.49 2cqa s SER 5 Cb 0.00 -1.16 -0.09 0.00 0.21 0.00 0.00 66.02 64.98 2cqa s SER 5 CO 0.00 -0.29 1.27 -0.44 0.41 0.00 0.00 173.24 174.18 2cqa s SER 6 N 0.49 6.62 0.00 2.44 0.01 -1.26 -5.00 113.70 117.00 2cqa s SER 6 Ca 0.16 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.01 2cqa s SER 6 Cb -0.23 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2cqa s SER 6 CO -0.04 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2cqa n GLY 7 N 0.76 1.92 0.04 3.44 0.00 -1.26 -5.07 105.19 105.01 2cqa n GLY 7 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 2cqa n GLY 7 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cqa h LYS 8 N 0.00 0.00 -4.98 1.61 3.64 -2.10 -3.48 116.57 111.27 2cqa h LYS 8 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 2cqa h LYS 8 Cb 0.00 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 31.55 2cqa h LYS 8 CO 0.00 0.00 -0.79 -1.83 -2.27 0.00 0.00 179.45 174.56 2cqa s GLU 9 N -1.57 0.85 -0.13 1.90 -1.05 -1.26 -5.14 118.70 112.30 2cqa s GLU 9 Ca -0.02 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.26 2cqa s GLU 9 Cb 0.00 -0.82 -0.03 0.00 -0.44 0.00 0.00 34.13 32.84 2cqa s GLU 9 CO 0.04 0.22 0.01 -1.21 0.95 0.00 0.00 175.26 175.26 2cqa s GLU 10 N -0.56 3.42 -0.20 -4.83 0.41 -1.26 -5.08 118.70 110.60 2cqa s GLU 10 Ca 0.02 -0.42 -0.29 0.00 -0.41 0.00 0.00 54.97 53.88 2cqa s GLU 10 Cb -0.05 -2.93 -0.00 0.00 -1.78 0.00 0.00 34.13 29.36 2cqa s GLU 10 CO 0.00 0.48 1.12 0.95 -0.49 0.00 0.00 175.26 177.32 2cqa s THR 11 N -0.25 4.53 -0.16 3.63 -4.23 -1.26 -4.90 115.64 113.01 2cqa s THR 11 Ca 0.06 1.84 0.14 0.00 -1.18 0.00 0.00 61.69 62.56 2cqa s THR 11 Cb -0.12 -4.19 0.36 0.00 1.34 0.00 0.00 72.50 69.88 2cqa s THR 11 CO 0.02 -0.16 1.18 -1.84 -0.54 0.00 0.00 174.62 173.29 2cqa n GLU 12 N 6.37 1.29 -3.98 3.99 -0.00 -1.26 -5.03 120.64 122.02 2cqa n GLU 12 Ca 0.13 -2.85 -0.10 0.00 -0.00 0.00 0.00 57.16 54.34 2cqa n GLU 12 Cb 0.46 -1.41 -0.11 0.00 -0.00 0.00 0.00 31.44 30.38 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2cqa s ILE 13 N -2.72 0.16 -0.12 3.84 1.01 -1.26 -0.47 121.20 121.64 2cqa s ILE 13 Ca 0.34 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 2cqa s ILE 13 Cb 0.32 -0.28 0.06 0.00 0.01 0.00 0.00 42.46 42.57 2cqa s ILE 13 CO -0.04 -0.41 0.27 -0.63 0.00 0.00 0.00 174.94 174.13 2cqa s ILE 14 N -1.25 -0.22 -0.07 2.92 1.01 -1.02 -4.97 121.20 117.60 2cqa s ILE 14 Ca -0.13 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2cqa s ILE 14 Cb -0.09 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2cqa s ILE 14 CO -0.01 0.08 -0.11 -0.70 0.00 0.00 0.00 174.94 174.21 2cqa s GLU 15 N 1.80 2.78 0.21 2.79 -6.30 -1.26 -1.61 118.70 117.11 2cqa s GLU 15 Ca -0.05 -0.63 -0.19 0.00 -2.50 0.00 0.00 54.97 51.60 2cqa s GLU 15 Cb -0.11 -2.52 0.03 0.00 0.00 0.00 0.00 34.13 31.53 2cqa s GLU 15 CO -0.09 0.57 0.59 0.20 0.02 0.00 0.00 175.26 176.54 2cqa s GLY 16 N -0.56 -0.19 -0.63 -1.50 0.00 -1.16 -4.73 107.32 98.55 2cqa s GLY 16 Ca 0.08 -0.11 -0.27 0.00 0.00 0.00 0.00 44.72 44.42 2cqa s GLY 16 CO 0.02 -0.14 1.19 1.85 0.00 0.00 0.00 173.10 176.02 2cqa s GLU 17 N -3.86 3.39 -0.80 2.90 2.12 -1.24 -2.73 118.70 118.49 2cqa s GLU 17 Ca 0.08 0.03 -0.35 0.00 0.36 0.00 0.00 54.97 55.09 2cqa s GLU 17 Cb -0.02 -4.07 -0.20 0.00 0.26 0.00 0.00 34.13 30.09 2cqa s GLU 17 CO -0.02 -1.81 2.49 0.28 -0.54 0.00 0.00 175.26 175.65 2cqa n VAL 18 N 6.53 0.00 -0.08 3.70 0.31 0.54 -3.40 118.33 125.92 2cqa n VAL 18 Ca 0.06 -0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 2cqa n VAL 18 Cb 0.49 -0.60 -0.10 0.00 -0.91 0.00 0.00 33.84 32.72 2cqa n VAL 18 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2cqa h VAL 19 N 7.63 1.08 -2.64 2.52 2.07 -0.78 -1.50 116.25 124.63 2cqa h VAL 19 Ca -0.08 -2.00 -0.10 0.00 0.82 0.00 0.00 66.70 65.34 2cqa h VAL 19 Cb 1.35 2.23 -0.21 0.00 -1.52 0.00 0.00 31.29 33.13 2cqa h VAL 19 CO 1.27 0.37 -0.13 -0.70 0.02 0.00 0.00 177.57 178.39 2cqa s GLU 20 N -2.20 0.71 -0.39 1.57 2.56 -1.20 -4.77 118.70 114.98 2cqa s GLU 20 Ca -0.20 0.23 0.02 0.00 0.00 0.00 0.00 54.97 55.01 2cqa s GLU 20 Cb 0.01 0.33 0.12 0.00 2.00 0.00 0.00 34.13 36.59 2cqa s GLU 20 CO 0.53 -0.17 0.16 0.42 -0.56 0.00 0.00 175.26 175.63 2cqa s ILE 21 N -0.70 1.54 0.20 -3.70 1.01 -1.26 -1.14 121.20 117.14 2cqa s ILE 21 Ca -0.08 -2.23 -0.10 0.00 0.00 0.00 0.00 60.65 58.25 2cqa s ILE 21 Cb -0.03 -2.11 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 2cqa s ILE 21 CO 0.04 -0.76 0.52 -1.58 0.00 0.00 0.00 174.94 173.16 2cqa s GLN 22 N 0.80 3.80 -0.23 2.79 0.74 0.21 -4.94 119.66 122.82 2cqa s GLN 22 Ca 0.14 0.25 -0.02 0.00 0.05 0.00 0.00 55.36 55.77 2cqa s GLN 22 Cb -0.21 -2.73 0.07 0.00 1.10 0.00 0.00 33.01 31.24 2cqa s GLN 22 CO -0.09 0.37 0.06 0.42 -0.55 0.00 0.00 175.29 175.49 2cqa s ILE 23 N -1.72 0.59 -0.15 -2.34 -1.09 -1.26 0.46 121.20 115.68 2cqa s ILE 23 Ca 0.44 -0.80 -0.28 0.00 -2.23 0.00 0.00 60.65 57.78 2cqa s ILE 23 Cb -0.12 -1.20 -0.01 0.00 -1.58 0.00 0.00 42.46 39.55 2cqa s ILE 23 CO 0.21 -0.36 0.98 -1.81 -1.23 0.00 0.00 174.94 172.73 2cqa s ASP 24 N 1.81 7.15 0.35 3.58 1.01 0.49 -4.94 116.67 126.12 2cqa s ASP 24 Ca 0.02 1.42 -0.21 0.00 0.71 0.00 0.00 52.55 54.49 2cqa s ASP 24 Cb -0.17 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 2cqa s ASP 24 CO -0.14 -0.50 0.87 -0.13 0.21 0.00 0.00 175.17 175.48 2cqa s ARG 25 N 2.35 4.28 1.21 8.23 1.81 -1.26 -3.78 118.95 131.79 2cqa s ARG 25 Ca 0.45 1.05 -0.19 0.00 -1.72 0.00 0.00 55.73 55.32 2cqa s ARG 25 Cb -0.17 -2.50 0.29 0.00 -0.45 0.00 0.00 34.95 32.12 2cqa s ARG 25 CO 0.14 0.15 1.11 -1.25 -0.68 0.00 0.00 175.30 174.77 2cqa s PRO 26 N -2.67 -1.27 -0.62 3.54 0.04 -1.26 -4.94 135.00 127.82 2cqa s PRO 26 Ca 0.55 -0.08 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 2cqa s PRO 26 Cb -0.13 -1.59 0.39 0.00 0.04 0.00 0.00 34.50 33.21 2cqa s PRO 26 CO 0.18 -3.74 2.05 0.00 0.04 0.00 0.00 177.00 175.53 2cqa n ALA 27 N -4.78 6.16 -3.87 8.56 0.00 -1.26 -4.86 120.51 120.46 2cqa n ALA 27 Ca 0.13 -3.21 -0.30 0.00 0.00 0.00 0.00 53.44 50.06 2cqa n ALA 27 Cb 0.59 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.64 0.00 0.00 0.00 5.66 -1.26 -4.69 114.28 113.35 2cqa n THR 28 Ca 0.56 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.56 2cqa n THR 28 Cb 0.61 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 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 -0.89 1.99 3.03 1.09 0.00 -1.26 -5.12 105.19 104.03 2cqa n GLY 29 Ca 0.08 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cqa s THR 30 N 1.17 1.58 -1.92 2.61 -1.32 -1.26 -5.08 115.64 111.42 2cqa s THR 30 Ca 0.00 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 2cqa s THR 30 Cb 0.00 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 2cqa s THR 30 CO 0.00 0.46 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 2cqa n GLY 31 N 4.69 -0.59 3.28 6.08 0.00 -1.26 -4.90 105.19 112.50 2cqa n GLY 31 Ca -0.17 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2cqa n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 32 N -4.00 -0.23 0.21 1.61 0.01 -1.26 -5.13 113.70 104.91 2cqa s SER 32 Ca 0.00 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 2cqa s SER 32 Cb 0.00 0.36 -0.16 0.00 0.21 0.00 0.00 66.02 66.43 2cqa s SER 32 CO 0.00 -0.55 0.77 1.17 0.41 0.00 0.00 173.24 175.04 2cqa n LYS 33 N 0.91 0.54 -3.80 12.44 3.00 -1.26 -4.88 118.16 125.10 2cqa n LYS 33 Ca -0.20 0.19 -0.13 0.00 -0.00 0.00 0.00 58.31 58.17 2cqa n LYS 33 Cb 0.58 -1.38 -0.12 0.00 0.00 0.00 0.00 35.03 34.10 2cqa n LYS 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2cqa s VAL 34 N -0.88 -0.01 -0.10 3.15 -7.23 -1.25 -3.72 120.40 110.36 2cqa s VAL 34 Ca 0.65 0.02 -0.22 0.00 -1.81 0.00 0.00 61.98 60.62 2cqa s VAL 34 Cb -0.87 -0.26 0.05 0.00 0.56 0.00 0.00 36.38 35.86 2cqa s VAL 34 CO 0.57 0.01 0.53 -0.83 -0.31 0.00 0.00 175.10 175.07 2cqa s GLY 35 N 0.23 -0.40 -0.13 2.32 0.00 -0.91 -0.38 107.32 108.04 2cqa s GLY 35 Ca -0.01 1.16 -0.06 0.00 0.00 0.00 0.00 44.72 45.81 2cqa s GLY 35 CO -0.01 0.90 0.06 0.54 0.00 0.00 0.00 173.10 174.59 2cqa s LYS 36 N -0.62 3.52 0.12 2.90 -0.14 0.17 0.17 119.74 125.86 2cqa s LYS 36 Ca -0.07 -0.31 0.10 0.00 -1.36 0.00 0.00 55.97 54.33 2cqa s LYS 36 Cb -0.03 -3.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 2cqa s LYS 36 CO 0.05 0.55 -0.25 -1.17 -0.76 0.00 0.00 175.35 173.77 2cqa s LEU 37 N -0.41 2.31 -0.06 3.17 2.96 0.60 0.67 118.68 127.93 2cqa s LEU 37 Ca 0.09 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 2cqa s LEU 37 Cb -0.12 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.50 2cqa s LEU 37 CO 0.02 0.13 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.20 2cqa s THR 38 N -1.11 0.89 -0.05 3.68 2.01 -0.29 -0.24 115.64 120.53 2cqa s THR 38 Ca 0.11 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2cqa s THR 38 Cb -0.10 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.59 2cqa s THR 38 CO 0.05 0.30 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.51 2cqa s LEU 39 N 0.79 1.04 -0.60 4.42 1.02 -1.13 -0.04 118.68 124.17 2cqa s LEU 39 Ca -0.13 -0.09 -0.19 0.00 0.02 0.00 0.00 54.13 53.74 2cqa s LEU 39 Cb -0.15 -0.39 0.10 0.00 0.02 0.00 0.00 46.19 45.77 2cqa s LEU 39 CO 0.02 -0.11 0.73 -0.75 0.02 0.00 0.00 176.35 176.26 2cqa s LYS 40 N 1.29 3.06 0.06 1.70 2.20 -1.22 -2.05 119.74 124.78 2cqa s LYS 40 Ca -0.05 -1.30 0.07 0.00 -0.36 0.00 0.00 55.97 54.32 2cqa s LYS 40 Cb -0.13 -4.27 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 2cqa s LYS 40 CO -0.02 -1.56 -0.19 -0.08 -0.36 0.00 0.00 175.35 173.13 2cqa s THR 41 N 2.76 1.54 -1.26 3.43 -1.32 -0.20 -3.68 115.64 116.90 2cqa s THR 41 Ca 0.12 -1.26 -0.11 0.00 -1.21 0.00 0.00 61.69 59.23 2cqa s THR 41 Cb -0.23 -1.37 -0.00 0.00 -1.51 0.00 0.00 72.50 69.38 2cqa s THR 41 CO 0.06 0.07 0.63 0.41 -2.21 0.00 0.00 174.62 173.58 2cqa n THR 42 N 1.61 -4.52 -1.97 5.08 -1.04 -1.26 -0.03 114.28 112.14 2cqa n THR 42 Ca -0.18 -0.72 -0.07 0.00 -2.04 0.00 0.00 64.05 61.04 2cqa n THR 42 Cb 0.54 -3.56 -0.01 0.00 -1.82 0.00 0.00 70.33 65.47 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 -4.30 -2.02 -3.68 -2.82 1.02 -1.26 -4.87 120.64 102.70 2cqa n GLU 43 Ca -0.20 0.35 -0.14 0.00 -0.02 0.00 0.00 57.16 57.15 2cqa n GLU 43 Cb 0.64 -4.73 -0.14 0.00 -0.02 0.00 0.00 31.44 27.19 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 -4.06 0.14 -0.16 3.49 0.00 0.95 -5.14 119.30 114.51 2cqa s MET 44 Ca 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 55.69 56.26 2cqa s MET 44 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 34.83 34.69 2cqa s MET 44 CO 0.00 -0.27 0.18 -2.00 0.00 0.00 0.00 175.02 172.94 2cqa s GLU 45 N 2.17 4.02 -0.03 4.11 2.12 -1.26 -1.03 118.70 128.80 2cqa s GLU 45 Ca -0.01 -0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.29 2cqa s GLU 45 Cb -0.12 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2cqa s GLU 45 CO -0.08 0.41 -0.21 0.99 -0.54 0.00 0.00 175.26 175.83 2cqa s THR 46 N 0.00 1.70 -0.57 -1.70 2.01 -0.87 -4.97 115.64 111.24 2cqa s THR 46 Ca 0.12 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 2cqa s THR 46 Cb -0.12 -1.43 0.06 0.00 0.01 0.00 0.00 72.50 71.03 2cqa s THR 46 CO 0.01 0.48 0.83 -0.63 -0.69 0.00 0.00 174.62 174.62 2cqa s ILE 47 N -0.31 4.57 0.23 1.82 1.01 -1.26 -2.85 121.20 124.40 2cqa s ILE 47 Ca 0.03 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 2cqa s ILE 47 Cb -0.10 -4.50 -0.08 0.00 0.01 0.00 0.00 42.46 37.79 2cqa s ILE 47 CO 0.01 -1.12 0.61 -0.31 0.00 0.00 0.00 174.94 174.14 2cqa s TYR 48 N 3.44 3.49 0.11 3.97 2.02 0.67 -4.89 117.35 126.15 2cqa s TYR 48 Ca 0.21 1.07 -0.10 0.00 -0.37 0.00 0.00 57.07 57.88 2cqa s TYR 48 Cb -0.17 -2.40 -0.06 0.00 -0.40 0.00 0.00 41.96 38.93 2cqa s TYR 48 CO 0.13 0.28 0.44 0.16 -1.57 0.00 0.00 175.55 174.98 2cqa s ASP 49 N -2.08 6.65 0.15 2.29 1.47 -1.26 -0.29 116.67 123.59 2cqa s ASP 49 Ca 0.46 0.82 0.11 0.00 1.18 0.00 0.00 52.55 55.12 2cqa s ASP 49 Cb -0.13 -2.19 -0.04 0.00 -0.34 0.00 0.00 42.92 40.23 2cqa s ASP 49 CO 0.20 0.12 -0.25 -0.76 0.68 0.00 0.00 175.17 175.15 2cqa s LEU 50 N -2.12 2.36 0.00 2.11 1.43 0.44 -4.89 118.68 118.01 2cqa s LEU 50 Ca 0.36 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2cqa s LEU 50 Cb -0.14 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2cqa s LEU 50 CO 0.19 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.53 2cqa n GLY 51 N 0.71 1.83 0.13 -3.19 0.00 -1.26 -2.15 105.19 101.26 2cqa n GLY 51 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 1.52 -0.01 2.61 -1.04 -1.24 -4.02 114.28 112.10 2cqa n THR 52 Ca 0.00 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.61 2cqa n THR 52 Cb 0.00 -1.97 -0.07 0.00 -1.82 0.00 0.00 70.33 66.48 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 -1.00 0.12 -0.10 -2.82 6.56 -1.94 -0.46 116.57 116.92 2cqa h LYS 53 Ca -0.57 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.03 2cqa h LYS 53 Cb 1.49 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 33.08 2cqa h LYS 53 CO -0.35 0.27 -0.23 0.52 -2.06 0.00 0.00 179.45 177.60 2cqa h MET 54 N -0.06 -0.30 0.58 3.15 2.86 -1.82 -2.66 114.93 116.69 2cqa h MET 54 Ca 0.03 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2cqa h MET 54 Cb 0.20 0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2cqa h MET 54 CO -0.00 -0.20 -0.28 0.82 1.06 0.00 0.00 176.91 178.31 2cqa h ILE 55 N -0.31 0.43 -0.79 -1.22 2.04 -1.68 -2.01 117.51 113.97 2cqa h ILE 55 Ca 0.09 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.18 2cqa h ILE 55 Cb 0.45 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2cqa h ILE 55 CO -0.28 0.00 1.08 -0.33 0.00 0.00 0.00 178.15 178.62 2cqa h GLU 56 N -0.78 0.00 0.05 2.37 5.08 -0.87 0.75 114.58 121.18 2cqa h GLU 56 Ca -0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 2cqa h GLU 56 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2cqa h GLU 56 CO 0.13 0.00 -0.74 1.03 -1.00 0.00 0.00 179.01 178.43 2cqa h SER 57 N 0.00 0.18 0.00 1.42 0.87 -1.02 -3.21 113.55 111.79 2cqa h SER 57 Ca 0.37 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2cqa h SER 57 Cb 2.53 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 64.43 2cqa h SER 57 CO -0.00 1.32 0.03 0.18 -0.53 0.00 0.00 176.83 177.83 2cqa n LEU 58 N -4.32 0.09 -0.04 2.23 4.77 0.26 -1.09 117.00 118.90 2cqa n LEU 58 Ca -0.19 0.51 -0.17 0.00 -0.03 0.00 0.00 56.01 56.14 2cqa n LEU 58 Cb 0.69 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2cqa n LEU 58 CO 0.36 -0.54 -0.89 0.35 -1.33 0.00 0.00 177.39 175.34 2cqa n THR 59 N -1.60 1.66 0.10 -5.08 -2.24 -0.89 -1.92 114.28 104.30 2cqa n THR 59 Ca -0.00 -0.69 -0.02 0.00 -2.27 0.00 0.00 64.05 61.07 2cqa n THR 59 Cb 0.04 -1.41 0.22 0.00 -2.10 0.00 0.00 70.33 67.08 2cqa n THR 59 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2cqa h LYS 60 N 0.04 0.23 0.00 -0.78 1.57 -1.10 -2.93 116.57 113.60 2cqa h LYS 60 Ca -0.44 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2cqa h LYS 60 Cb 2.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 2cqa h LYS 60 CO 0.05 0.62 -1.10 -0.40 -0.57 0.00 0.00 179.45 178.04 2cqa n ASP 61 N -4.02 0.59 -3.13 0.86 5.68 -0.93 -4.98 116.55 110.62 2cqa n ASP 61 Ca -0.02 -0.22 -0.19 0.00 -0.50 0.00 0.00 54.79 53.87 2cqa n ASP 61 Cb 0.48 0.89 0.07 0.00 -1.14 0.00 0.00 41.12 41.42 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2cqa n LYS 62 N -1.99 -6.57 -1.77 0.11 4.76 -1.03 -4.93 118.16 106.74 2cqa n LYS 62 Ca 0.01 0.71 -0.41 0.00 -2.87 0.00 0.00 58.31 55.75 2cqa n LYS 62 Cb 0.45 -5.39 -0.00 0.00 -1.84 0.00 0.00 35.03 28.25 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 -4.44 2.02 -4.03 -0.18 0.31 -0.81 -5.02 118.33 106.20 2cqa n VAL 63 Ca -0.05 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.69 2cqa n VAL 63 Cb 0.57 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.09 0.91 0.29 5.55 -1.52 -1.26 -4.98 119.66 116.56 2cqa s GLN 64 Ca 0.54 -1.23 -0.30 0.00 -1.95 0.00 0.00 55.36 52.42 2cqa s GLN 64 Cb -0.48 0.29 -0.12 0.00 -0.22 0.00 0.00 33.01 32.48 2cqa s GLN 64 CO 0.64 -0.28 1.47 0.00 -0.25 0.00 0.00 175.29 176.87 2cqa n ALA 65 N -0.08 1.85 0.00 6.09 0.00 -1.26 -2.94 120.51 124.17 2cqa n ALA 65 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2cqa n ALA 65 Cb 0.63 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.75 1.30 3.94 0.00 0.00 -0.56 -5.04 105.19 106.59 2cqa n GLY 66 Ca 0.08 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.52 5.57 -0.30 1.61 1.01 -1.15 -4.75 116.67 118.15 2cqa s ASP 67 Ca 0.00 0.36 -0.05 0.00 0.71 0.00 0.00 52.55 53.57 2cqa s ASP 67 Cb 0.00 -1.41 0.03 0.00 1.01 0.00 0.00 42.92 42.55 2cqa s ASP 67 CO 0.00 -0.96 0.05 -0.69 0.21 0.00 0.00 175.17 173.78 2cqa s VAL 68 N -2.77 3.57 0.11 -1.27 1.01 -1.25 -0.34 120.40 119.46 2cqa s VAL 68 Ca 0.53 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2cqa s VAL 68 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2cqa s VAL 68 CO 0.41 -0.03 -0.13 0.27 0.00 0.00 0.00 175.10 175.62 2cqa s ILE 69 N 1.40 3.16 0.51 2.22 -5.25 -1.10 0.68 121.20 122.81 2cqa s ILE 69 Ca -0.01 -1.36 0.07 0.00 -0.99 0.00 0.00 60.65 58.36 2cqa s ILE 69 Cb -0.18 -2.47 0.05 0.00 2.95 0.00 0.00 42.46 42.80 2cqa s ILE 69 CO 0.01 0.11 0.70 0.42 -1.79 0.00 0.00 174.94 174.39 2cqa s THR 70 N -1.19 2.63 -0.23 8.37 -4.23 0.11 -2.97 115.64 118.13 2cqa s THR 70 Ca 0.20 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 2cqa s THR 70 Cb -0.11 -2.72 0.10 0.00 1.34 0.00 0.00 72.50 71.11 2cqa s THR 70 CO 0.12 0.00 0.20 -0.63 -0.54 0.00 0.00 174.62 173.78 2cqa s ILE 71 N -2.57 -0.27 -0.49 2.99 1.01 -0.63 -3.31 121.20 117.92 2cqa s ILE 71 Ca 0.58 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 2cqa s ILE 71 Cb -0.08 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.67 2cqa s ILE 71 CO 0.36 -0.33 0.66 -0.62 0.00 0.00 0.00 174.94 175.02 2cqa s ASP 72 N 2.28 6.27 0.16 3.58 2.15 0.32 -2.42 116.67 129.00 2cqa s ASP 72 Ca 0.07 -0.65 -0.10 0.00 0.43 0.00 0.00 52.55 52.30 2cqa s ASP 72 Cb -0.15 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2cqa s ASP 72 CO -0.19 -0.89 1.55 0.11 -0.17 0.00 0.00 175.17 175.59 2cqa h LYS 73 N 8.99 1.01 -0.73 4.34 1.57 -1.06 1.23 116.57 131.91 2cqa h LYS 73 Ca -0.27 -0.43 0.11 0.00 -1.87 0.00 0.00 60.65 58.20 2cqa h LYS 73 Cb 1.09 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.25 2cqa h LYS 73 CO 0.95 1.11 -0.30 0.00 -0.57 0.00 0.00 179.45 180.64 2cqa n ALA 74 N -2.52 -0.13 -0.04 3.86 0.00 -1.25 -2.65 120.51 117.78 2cqa n ALA 74 Ca 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 53.44 54.12 2cqa n ALA 74 Cb 0.46 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -5.06 0.54 0.00 0.00 5.66 -1.22 -5.04 114.28 109.16 2cqa n THR 75 Ca 0.07 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2cqa n THR 75 Cb 0.28 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 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 2.50 1.96 3.95 1.09 0.00 0.42 -5.08 105.19 110.02 2cqa n GLY 76 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.96 3.48 -0.11 1.61 1.02 -0.81 -4.39 119.74 119.58 2cqa s LYS 77 Ca 0.00 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 2cqa s LYS 77 Cb 0.00 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2cqa s LYS 77 CO 0.00 0.33 -0.03 0.42 -0.92 0.00 0.00 175.35 175.16 2cqa s ILE 78 N -2.04 0.68 0.16 2.17 1.01 -1.26 -0.52 121.20 121.38 2cqa s ILE 78 Ca 0.37 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2cqa s ILE 78 Cb -0.10 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2cqa s ILE 78 CO 0.31 0.24 0.06 -0.44 0.00 0.00 0.00 174.94 175.11 2cqa s SER 79 N 1.84 5.16 -0.05 3.58 0.01 -1.21 -4.85 113.70 118.18 2cqa s SER 79 Ca 0.04 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.01 2cqa s SER 79 Cb -0.13 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2cqa s SER 79 CO -0.07 0.09 0.19 -0.75 0.41 0.00 0.00 173.24 173.12 2cqa s LYS 80 N -2.91 3.49 0.39 12.44 2.20 -1.26 0.04 119.74 134.13 2cqa s LYS 80 Ca 0.29 -0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 2cqa s LYS 80 Cb -0.10 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 2cqa s LYS 80 CO 0.21 0.72 0.05 -0.51 -0.36 0.00 0.00 175.35 175.45 2cqa s LEU 81 N -1.48 2.37 0.26 5.43 1.43 0.21 -4.93 118.68 121.98 2cqa s LEU 81 Ca 0.22 -1.47 -0.27 0.00 -1.03 0.00 0.00 54.13 51.58 2cqa s LEU 81 Cb -0.13 -0.55 -0.15 0.00 0.03 0.00 0.00 46.19 45.39 2cqa s LEU 81 CO 0.12 -0.65 0.69 0.61 0.23 0.00 0.00 176.35 177.35 2cqa n GLY 82 N -0.90 -1.19 0.49 -3.19 0.00 -1.26 -3.89 105.19 95.25 2cqa n GLY 82 Ca -0.06 0.29 0.38 0.00 0.00 0.00 0.00 46.02 46.63 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 0.86 -0.01 -3.64 1.61 0.00 -1.26 -3.80 116.66 110.43 2cqa n ARG 83 Ca 0.14 0.89 -0.07 0.00 -0.00 0.00 0.00 57.85 58.81 2cqa n ARG 83 Cb 0.30 -1.94 -0.07 0.00 -0.00 0.00 0.00 32.46 30.75 2cqa n ARG 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2cqa s SER 84 N -4.05 -0.31 -0.92 2.89 0.01 -1.26 -3.81 113.70 106.25 2cqa s SER 84 Ca -0.05 0.59 -0.19 0.00 1.31 0.00 0.00 55.95 57.61 2cqa s SER 84 Cb 0.22 0.60 0.12 0.00 0.21 0.00 0.00 66.02 67.17 2cqa s SER 84 CO 0.67 -0.11 1.15 0.72 0.41 0.00 0.00 173.24 176.07 2cqa s PHE 85 N 0.09 3.03 0.04 2.43 -0.71 -1.26 -4.97 117.98 116.64 2cqa s PHE 85 Ca 0.04 -1.28 -0.06 0.00 -1.04 0.00 0.00 56.93 54.59 2cqa s PHE 85 Cb -0.05 -4.32 -0.01 0.00 -1.21 0.00 0.00 43.02 37.43 2cqa s PHE 85 CO -0.09 -1.54 0.12 0.99 -1.34 0.00 0.00 175.22 173.36 2cqa s THR 86 N 2.99 0.13 -0.36 -4.49 2.01 -1.26 -5.07 115.64 109.59 2cqa s THR 86 Ca 0.33 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 61.33 2cqa s THR 86 Cb -0.05 -0.94 0.44 0.00 0.01 0.00 0.00 72.50 71.96 2cqa s THR 86 CO -0.08 -0.59 1.13 0.54 -0.69 0.00 0.00 174.62 174.92 2cqa n ARG 87 N 0.68 3.25 -4.15 4.92 1.74 -1.26 -5.06 116.66 116.78 2cqa n ARG 87 Ca -0.19 -4.24 -0.23 0.00 -0.77 0.00 0.00 57.85 52.43 2cqa n ARG 87 Cb 0.59 -2.15 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 2cqa n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cqa s ALA 88 N -3.55 3.43 0.02 7.54 0.00 -1.26 -5.14 121.76 122.80 2cqa s ALA 88 Ca 0.46 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.66 2cqa s ALA 88 Cb 0.40 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2cqa s ALA 88 CO -0.08 0.07 -0.15 -0.98 0.00 0.00 0.00 175.76 174.62 2cqa s ARG 89 N -3.81 1.07 -0.21 0.00 1.04 -1.26 -5.14 118.95 110.64 2cqa s ARG 89 Ca 0.37 -0.65 -0.28 0.00 -1.04 0.00 0.00 55.73 54.12 2cqa s ARG 89 Cb -0.03 -1.07 0.12 0.00 -2.04 0.00 0.00 34.95 31.93 2cqa s ARG 89 CO 0.22 0.28 0.98 0.45 -0.04 0.00 0.00 175.30 177.19 2cqa s SER 90 N -0.76 -0.44 0.00 -2.89 0.15 -1.26 -5.12 113.70 103.39 2cqa s SER 90 Ca 0.04 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2cqa s SER 90 Cb -0.07 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2cqa s SER 90 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2cqa n GLY 91 N 1.43 -1.30 3.64 9.45 0.00 -1.26 -5.11 105.19 112.05 2cqa n GLY 91 Ca -0.12 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.98 0.05 1.61 0.04 -1.26 -4.86 135.00 134.56 2cqa s PRO 92 Ca 0.00 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 2cqa s PRO 92 Cb 0.00 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 2cqa s PRO 92 CO 0.00 -1.06 -0.06 0.43 0.04 0.00 0.00 177.00 176.35 2cqa n SER 93 N 7.74 1.20 -0.07 6.66 7.64 -1.26 -4.80 113.62 130.73 2cqa n SER 93 Ca 0.17 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 60.13 2cqa n SER 93 Cb 0.44 -0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2cqa n SER 93 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2cqa h SER 94 N -0.16 -1.02 0.00 6.43 4.64 -2.09 -3.57 113.55 117.78 2cqa h SER 94 Ca -0.01 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2cqa h SER 94 Cb 0.22 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2cqa h SER 94 CO -0.00 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.24