#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ain s LYS 2 N 0.00 4.47 0.10 2.12 2.36 -1.26 -5.06 119.74 122.47 2ain s LYS 2 Ca 0.00 1.13 0.08 0.00 -2.55 0.00 0.00 55.97 54.63 2ain s LYS 2 Cb 0.00 -3.47 -0.03 0.00 -1.05 0.00 0.00 37.83 33.27 2ain s LYS 2 CO 0.00 -0.04 -0.21 -1.21 1.55 0.00 0.00 175.35 175.44 2ain s GLU 3 N 1.09 1.11 1.09 4.03 2.02 -1.26 -5.15 118.70 121.64 2ain s GLU 3 Ca 0.44 -1.16 -0.14 0.00 0.02 0.00 0.00 54.97 54.13 2ain s GLU 3 Cb -0.19 -1.37 0.24 0.00 0.10 0.00 0.00 34.13 32.91 2ain s GLU 3 CO 0.21 0.32 1.08 -1.25 0.02 0.00 0.00 175.26 175.64 2ain s PRO 4 N -1.90 -0.35 -0.30 0.39 0.04 -1.26 -5.05 135.00 126.56 2ain s PRO 4 Ca 0.06 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 2ain s PRO 4 Cb -0.10 -1.66 0.10 0.00 0.04 0.00 0.00 34.50 32.88 2ain s PRO 4 CO 0.04 -3.23 0.10 -2.00 0.04 0.00 0.00 177.00 171.95 2ain s GLU 5 N -5.00 0.66 0.02 4.56 2.12 -1.24 -4.93 118.70 114.90 2ain s GLU 5 Ca 0.67 -0.98 -0.21 0.00 0.36 0.00 0.00 54.97 54.81 2ain s GLU 5 Cb -0.17 -1.91 -0.06 0.00 0.26 0.00 0.00 34.13 32.25 2ain s GLU 5 CO 0.58 -0.97 0.62 0.42 -0.54 0.00 0.00 175.26 175.38 2ain s ILE 6 N 1.68 4.83 -0.01 -3.70 1.09 -1.26 -0.75 121.20 123.08 2ain s ILE 6 Ca 0.09 1.31 -0.04 0.00 -1.10 0.00 0.00 60.65 60.92 2ain s ILE 6 Cb -0.17 -3.96 -0.00 0.00 -1.06 0.00 0.00 42.46 37.27 2ain s ILE 6 CO -0.25 0.44 0.07 0.27 -0.10 0.00 0.00 174.94 175.37 2ain s ILE 7 N -0.37 0.06 -0.19 2.92 -4.36 -0.12 -4.99 121.20 114.14 2ain s ILE 7 Ca 0.32 -0.47 -0.06 0.00 -0.26 0.00 0.00 60.65 60.18 2ain s ILE 7 Cb -0.19 -0.26 -0.03 0.00 1.25 0.00 0.00 42.46 43.22 2ain s ILE 7 CO 0.19 -0.26 0.03 -0.89 0.24 0.00 0.00 174.94 174.24 2ain s THR 8 N -0.82 4.28 0.33 8.37 2.01 -1.26 -1.82 115.64 126.73 2ain s THR 8 Ca -0.09 -0.21 0.10 0.00 0.31 0.00 0.00 61.69 61.80 2ain s THR 8 Cb -0.05 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2ain s THR 8 CO 0.00 0.43 -0.09 0.68 -0.69 0.00 0.00 174.62 174.95 2ain s VAL 9 N 0.78 2.40 -0.20 3.82 -7.23 -0.32 -4.98 120.40 114.67 2ain s VAL 9 Ca 0.02 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 2ain s VAL 9 Cb -0.14 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.24 2ain s VAL 9 CO 0.02 -0.25 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.61 2ain s THR 10 N -2.56 1.42 0.02 5.32 2.01 -1.26 -1.89 115.64 118.70 2ain s THR 10 Ca 0.32 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.44 2ain s THR 10 Cb 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2ain s THR 10 CO 0.17 0.06 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.20 2ain s LEU 11 N 1.48 2.13 0.25 4.42 1.43 0.80 -4.94 118.68 124.25 2ain s LEU 11 Ca -0.02 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2ain s LEU 11 Cb -0.17 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2ain s LEU 11 CO -0.07 0.18 0.46 -0.75 0.23 0.00 0.00 176.35 176.40 2ain s LYS 12 N -0.95 3.55 -0.07 1.70 2.20 -1.26 0.38 119.74 125.29 2ain s LYS 12 Ca 0.07 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 2ain s LYS 12 Cb -0.08 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 2ain s LYS 12 CO 0.01 0.31 0.99 0.15 -0.36 0.00 0.00 175.35 176.45 2ain s LYS 13 N -3.53 4.47 -0.22 4.03 1.02 0.11 -4.82 119.74 120.80 2ain s LYS 13 Ca 0.40 1.39 -0.17 0.00 0.02 0.00 0.00 55.97 57.62 2ain s LYS 13 Cb -0.11 -3.51 -0.12 0.00 -0.52 0.00 0.00 37.83 33.57 2ain s LYS 13 CO 0.30 -0.22 -0.14 1.04 -0.92 0.00 0.00 175.35 175.41 2ain n GLN 14 N 4.63 0.55 -2.52 1.68 1.13 -1.26 -4.89 117.38 116.71 2ain n GLN 14 Ca 0.08 0.40 -0.03 0.00 -1.94 0.00 0.00 57.00 55.50 2ain n GLN 14 Cb 0.49 -1.60 0.09 0.00 0.11 0.00 0.00 30.24 29.34 2ain n GLN 14 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ain n ASN 15 N -4.39 -1.37 0.00 1.08 5.15 -1.26 -5.11 115.26 109.35 2ain n ASN 15 Ca -0.34 -2.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 2ain n ASN 15 Cb 0.68 0.74 0.00 0.00 -0.53 0.00 0.00 39.78 40.66 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ain n GLY 16 N -0.94 2.61 0.00 8.20 0.00 -1.26 -4.99 105.19 108.81 2ain n GLY 16 Ca -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2ain n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ain n MET 17 N 0.95 0.00 -2.04 1.61 2.81 -1.26 -4.44 117.12 114.75 2ain n MET 17 Ca 0.00 0.46 -0.02 0.00 -1.81 0.00 0.00 57.70 56.32 2ain n MET 17 Cb 0.00 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2ain n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ain n GLY 18 N 1.19 -0.85 3.82 3.03 0.00 -1.26 -4.51 105.19 106.61 2ain n GLY 18 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 2ain n GLY 18 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ain s LEU 19 N -1.95 -0.03 0.13 0.99 0.05 -1.26 0.20 118.68 116.80 2ain s LEU 19 Ca 0.07 -1.01 0.05 0.00 0.05 0.00 0.00 54.13 53.29 2ain s LEU 19 Cb -0.02 2.73 -0.04 0.00 -2.05 0.00 0.00 46.19 46.81 2ain s LEU 19 CO 0.29 -1.55 -0.13 -0.44 -0.55 0.00 0.00 176.35 173.98 2ain s SER 20 N -3.09 1.90 0.13 1.48 0.01 -0.75 -4.88 113.70 108.51 2ain s SER 20 Ca 0.16 -0.85 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 2ain s SER 20 Cb -0.05 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 2ain s SER 20 CO 0.10 -0.19 0.17 0.27 0.41 0.00 0.00 173.24 173.99 2ain s ILE 21 N -2.39 0.10 -0.01 1.44 -4.36 -1.26 -1.67 121.20 113.05 2ain s ILE 21 Ca 0.10 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2ain s ILE 21 Cb -0.03 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.84 2ain s ILE 21 CO 0.02 -0.45 0.03 -0.69 0.24 0.00 0.00 174.94 174.09 2ain s VAL 22 N -3.98 -0.01 -0.80 8.37 1.01 0.15 -4.62 120.40 120.52 2ain s VAL 22 Ca 0.18 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 2ain s VAL 22 Cb 0.05 -0.06 0.10 0.00 0.00 0.00 0.00 36.38 36.47 2ain s VAL 22 CO -0.01 0.01 1.06 0.00 0.00 0.00 0.00 175.10 176.16 2ain s ALA 23 N 0.15 3.20 0.11 5.51 0.00 -1.26 -0.16 121.76 129.31 2ain s ALA 23 Ca -0.01 -2.28 -0.10 0.00 0.00 0.00 0.00 51.96 49.57 2ain s ALA 23 Cb -0.02 -3.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.06 2ain s ALA 23 CO -0.00 -2.92 0.43 0.00 0.00 0.00 0.00 175.76 173.27 2ain s ALA 24 N 3.50 3.70 0.41 0.00 0.00 -0.62 -4.91 121.76 123.84 2ain s ALA 24 Ca 0.28 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2ain s ALA 24 Cb -0.11 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2ain s ALA 24 CO 0.00 0.56 0.18 1.17 0.00 0.00 0.00 175.76 177.67 2ain n LYS 25 N 0.72 0.53 0.00 0.00 4.81 -1.26 -2.57 118.16 120.39 2ain n LYS 25 Ca -0.06 -3.54 0.00 0.00 -0.87 0.00 0.00 58.31 53.83 2ain n LYS 25 Cb 0.52 2.13 0.00 0.00 0.02 0.00 0.00 35.03 37.70 2ain n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ain n GLY 26 N -0.87 1.28 3.79 3.14 0.00 -1.26 -5.09 105.19 106.17 2ain n GLY 26 Ca -0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2ain n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ain s ALA 27 N -1.00 3.61 -1.66 4.61 0.00 -1.26 -4.42 121.76 121.63 2ain s ALA 27 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2ain s ALA 27 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.63 2ain s ALA 27 CO 0.00 0.75 0.15 0.41 0.00 0.00 0.00 175.76 177.07 2ain n GLY 28 N 0.55 -0.46 2.82 0.00 0.00 -1.26 -4.97 105.19 101.87 2ain n GLY 28 Ca -0.09 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2ain n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ain s GLN 29 N -5.17 1.03 -0.17 1.61 2.00 -1.26 -4.98 119.66 112.72 2ain s GLN 29 Ca 0.07 -1.07 0.06 0.00 -2.00 0.00 0.00 55.36 52.42 2ain s GLN 29 Cb -0.03 -2.33 0.43 0.00 0.80 0.00 0.00 33.01 31.88 2ain s GLN 29 CO 0.09 -0.84 1.29 -3.47 -0.50 0.00 0.00 175.29 171.87 2ain n ASP 30 N 4.75 3.58 -0.41 6.67 2.03 -1.26 -4.80 116.55 127.11 2ain n ASP 30 Ca -0.05 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.63 2ain n ASP 30 Cb 0.43 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ain n LYS 31 N 0.12 0.00 -3.65 -0.67 4.76 -1.26 -4.88 118.16 112.58 2ain n LYS 31 Ca 0.21 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.44 2ain n LYS 31 Cb 0.90 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.91 2ain n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2ain s LEU 32 N 0.00 0.17 0.05 -0.35 2.96 -1.26 -4.78 118.68 115.46 2ain s LEU 32 Ca 0.00 -0.11 -0.28 0.00 -0.22 0.00 0.00 54.13 53.52 2ain s LEU 32 Cb 0.00 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.53 2ain s LEU 32 CO 0.00 -0.28 0.87 -0.83 -1.32 0.00 0.00 176.35 174.79 2ain s GLY 33 N 2.18 2.88 -0.94 7.98 0.00 -1.06 -3.39 107.32 114.97 2ain s GLY 33 Ca 0.04 0.43 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 2ain s GLY 33 CO -0.05 1.35 1.07 -0.42 0.00 0.00 0.00 173.10 175.05 2ain s ILE 34 N 0.25 5.02 0.82 0.90 1.09 -0.88 -1.58 121.20 126.82 2ain s ILE 34 Ca 0.44 -1.96 -0.11 0.00 -1.10 0.00 0.00 60.65 57.92 2ain s ILE 34 Cb -0.21 -4.71 0.12 0.00 -1.06 0.00 0.00 42.46 36.59 2ain s ILE 34 CO 0.26 -1.39 1.17 -0.31 -0.10 0.00 0.00 174.94 174.57 2ain s TYR 35 N 1.82 2.42 -0.13 3.97 1.51 0.78 -1.46 117.35 126.27 2ain s TYR 35 Ca 0.30 0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 56.76 2ain s TYR 35 Cb -0.06 -3.57 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 2ain s TYR 35 CO -0.08 -1.95 0.07 0.08 -1.11 0.00 0.00 175.55 172.56 2ain s VAL 36 N -3.56 4.93 -0.25 0.71 1.01 0.86 0.31 120.40 124.42 2ain s VAL 36 Ca 0.66 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2ain s VAL 36 Cb -0.08 -3.16 -0.16 0.00 0.00 0.00 0.00 36.38 32.98 2ain s VAL 36 CO 0.49 0.56 -0.18 1.17 0.00 0.00 0.00 175.10 177.13 2ain n LYS 37 N 2.59 0.64 -3.15 2.72 4.81 -0.67 -2.54 118.16 122.56 2ain n LYS 37 Ca -0.18 0.23 0.06 0.00 -0.87 0.00 0.00 58.31 57.54 2ain n LYS 37 Cb 0.54 -1.54 -0.01 0.00 0.02 0.00 0.00 35.03 34.03 2ain n LYS 37 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2ain s SER 38 N -6.93 -0.22 0.15 3.14 0.01 -1.25 -4.67 113.70 103.94 2ain s SER 38 Ca -0.35 0.11 -0.28 0.00 1.31 0.00 0.00 55.95 56.74 2ain s SER 38 Cb 0.11 1.17 -0.07 0.00 0.21 0.00 0.00 66.02 67.44 2ain s SER 38 CO 0.58 -0.04 0.88 0.54 0.41 0.00 0.00 173.24 175.61 2ain s VAL 39 N 2.98 4.38 0.08 3.43 0.11 -1.26 -1.80 120.40 128.31 2ain s VAL 39 Ca 0.01 1.93 -0.30 0.00 -2.93 0.00 0.00 61.98 60.68 2ain s VAL 39 Cb -0.07 -4.25 -0.05 0.00 -1.53 0.00 0.00 36.38 30.47 2ain s VAL 39 CO -0.11 0.43 1.04 -0.69 -3.33 0.00 0.00 175.10 172.43 2ain s VAL 40 N -0.62 4.42 0.61 2.04 1.01 0.13 -4.94 120.40 123.06 2ain s VAL 40 Ca 0.41 1.87 -0.18 0.00 0.00 0.00 0.00 61.98 64.09 2ain s VAL 40 Cb -0.24 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2ain s VAL 40 CO 0.29 0.22 1.17 -0.54 0.00 0.00 0.00 175.10 176.24 2ain s LYS 41 N 0.47 2.92 0.00 2.72 3.01 -1.26 -3.37 119.74 124.23 2ain s LYS 41 Ca 0.51 1.68 0.00 0.00 -1.01 0.00 0.00 55.97 57.15 2ain s LYS 41 Cb -0.25 -1.94 0.00 0.00 -1.01 0.00 0.00 37.83 34.63 2ain s LYS 41 CO 0.30 -1.21 0.00 0.41 0.51 0.00 0.00 175.35 175.36 2ain n GLY 42 N 0.21 3.01 3.76 -3.33 0.00 -1.26 -5.05 105.19 102.53 2ain n GLY 42 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2ain n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ain s GLY 43 N -2.72 1.91 0.31 -0.02 0.00 -1.22 -4.65 107.32 100.94 2ain s GLY 43 Ca 0.00 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.23 2ain s GLY 43 CO 0.00 0.79 1.74 0.00 0.00 0.00 0.00 173.10 175.63 2ain h ALA 44 N -0.65 1.71 -0.79 3.20 0.00 -1.82 0.17 119.26 121.08 2ain h ALA 44 Ca -0.45 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.65 2ain h ALA 44 Cb 1.24 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2ain h ALA 44 CO 0.52 -0.21 0.52 0.00 0.00 0.00 0.00 179.25 180.08 2ain h ALA 45 N 1.70 1.70 0.18 0.00 0.00 -1.91 0.42 119.26 121.35 2ain h ALA 45 Ca 0.61 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 55.15 2ain h ALA 45 Cb 1.10 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2ain h ALA 45 CO -0.45 0.16 -1.79 0.22 0.00 0.00 0.00 179.25 177.38 2ain h ASP 46 N 0.79 0.60 -0.33 0.00 1.82 -1.11 -3.22 116.42 114.96 2ain h ASP 46 Ca 0.35 -0.94 -0.11 0.00 -0.39 0.00 0.00 57.03 55.94 2ain h ASP 46 Cb 0.35 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 2ain h ASP 46 CO -0.13 1.80 -0.18 0.58 -1.61 0.00 0.00 179.24 179.70 2ain h VAL 47 N 0.10 1.27 -0.30 2.25 2.07 -0.47 -3.16 116.25 118.02 2ain h VAL 47 Ca -0.36 -1.28 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 2ain h VAL 47 Cb 2.09 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2ain h VAL 47 CO 0.17 0.43 -0.17 0.44 0.02 0.00 0.00 177.57 178.46 2ain h ASP 48 N 0.71 0.66 -2.84 0.57 3.32 -0.33 -3.49 116.42 115.02 2ain h ASP 48 Ca 0.11 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2ain h ASP 48 Cb 0.69 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2ain h ASP 48 CO 0.05 0.94 0.00 0.61 -1.72 0.00 0.00 179.24 179.12 2ain n GLY 49 N 0.01 -0.45 1.76 2.75 0.00 -1.19 -5.06 105.19 103.01 2ain n GLY 49 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2ain n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ain n ARG 50 N -0.69 0.00 -4.66 1.61 5.12 -1.26 -5.12 116.66 111.67 2ain n ARG 50 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 2ain n ARG 50 Cb 0.21 -0.12 -0.08 0.00 -1.16 0.00 0.00 32.46 31.31 2ain n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ain s LEU 51 N -5.40 2.22 0.00 0.55 0.05 -1.26 -5.15 118.68 109.69 2ain s LEU 51 Ca 0.00 -1.64 -0.01 0.00 0.05 0.00 0.00 54.13 52.53 2ain s LEU 51 Cb 0.00 -0.51 0.01 0.00 -2.05 0.00 0.00 46.19 43.64 2ain s LEU 51 CO 0.00 -0.85 0.23 0.00 -0.55 0.00 0.00 176.35 175.18 2ain n ALA 52 N -1.11 -0.20 -1.67 1.48 0.00 -1.26 -4.86 120.51 112.89 2ain n ALA 52 Ca -0.13 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.25 2ain n ALA 52 Cb 0.66 0.57 0.02 0.00 0.00 0.00 0.00 19.45 20.70 2ain n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain s ALA 53 N -2.06 2.62 -0.34 0.00 0.00 -1.26 -3.61 121.76 117.11 2ain s ALA 53 Ca 0.13 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2ain s ALA 53 Cb -0.01 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2ain s ALA 53 CO 0.09 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2ain n GLY 54 N -0.16 0.39 3.87 0.00 0.00 -1.05 -5.01 105.19 103.22 2ain n GLY 54 Ca 0.11 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 2ain n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ain s ASP 55 N -2.89 5.06 0.36 1.61 1.11 -1.24 -4.79 116.67 115.90 2ain s ASP 55 Ca 0.00 -0.72 0.07 0.00 0.18 0.00 0.00 52.55 52.08 2ain s ASP 55 Cb 0.00 -0.63 -0.00 0.00 1.07 0.00 0.00 42.92 43.35 2ain s ASP 55 CO 0.00 -0.60 0.49 -1.58 1.18 0.00 0.00 175.17 174.66 2ain s GLN 56 N -4.10 3.03 -0.23 8.23 0.74 -1.26 -0.09 119.66 125.98 2ain s GLN 56 Ca 0.47 -1.09 -0.13 0.00 0.05 0.00 0.00 55.36 54.66 2ain s GLN 56 Cb -0.03 -2.79 0.07 0.00 1.10 0.00 0.00 33.01 31.35 2ain s GLN 56 CO 0.27 -0.03 0.56 -1.17 -0.55 0.00 0.00 175.29 174.38 2ain s LEU 57 N -4.22 -0.52 0.00 3.68 2.96 -0.53 -3.58 118.68 116.47 2ain s LEU 57 Ca 0.48 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 2ain s LEU 57 Cb -0.09 1.91 0.00 0.00 0.50 0.00 0.00 46.19 48.51 2ain s LEU 57 CO 0.31 -0.22 0.00 0.00 -1.32 0.00 0.00 176.35 175.13 2ain n LEU 58 N 4.17 0.72 -4.87 -0.68 -0.00 -0.97 -2.08 117.00 113.30 2ain n LEU 58 Ca -0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.44 2ain n LEU 58 Cb 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.94 2ain n LEU 58 CO 0.03 -0.01 0.01 -0.55 -0.00 0.00 0.00 177.39 176.88 2ain s SER 59 N -4.17 6.60 -0.09 1.45 0.15 -1.25 -0.41 113.70 115.97 2ain s SER 59 Ca 0.00 0.72 -0.04 0.00 0.70 0.00 0.00 55.95 57.33 2ain s SER 59 Cb 0.00 -2.15 0.05 0.00 -1.71 0.00 0.00 66.02 62.21 2ain s SER 59 CO 0.00 0.26 0.19 -0.69 1.20 0.00 0.00 173.24 174.19 2ain s VAL 60 N -1.26 -0.26 -1.46 4.45 1.01 -0.86 -2.36 120.40 119.66 2ain s VAL 60 Ca 0.27 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2ain s VAL 60 Cb -0.14 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.94 2ain s VAL 60 CO 0.15 0.13 0.55 -0.67 0.00 0.00 0.00 175.10 175.26 2ain n ASP 61 N 5.14 -5.26 -0.34 3.32 2.03 0.98 -1.05 116.55 121.36 2ain n ASP 61 Ca -0.09 -0.31 -0.04 0.00 0.52 0.00 0.00 54.79 54.88 2ain n ASP 61 Cb 0.50 -4.28 -0.01 0.00 -0.72 0.00 0.00 41.12 36.61 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ain n GLY 62 N -1.38 0.48 2.40 0.27 0.00 -1.26 -4.84 105.19 100.86 2ain n GLY 62 Ca -0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 2ain n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ain n ARG 63 N -2.27 0.93 -4.02 1.61 1.74 -0.22 -5.15 116.66 109.29 2ain n ARG 63 Ca -0.04 -2.45 -0.31 0.00 -0.77 0.00 0.00 57.85 54.28 2ain n ARG 63 Cb 0.29 0.97 -0.16 0.00 -1.02 0.00 0.00 32.46 32.54 2ain n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ain s SER 64 N -2.82 3.25 -0.34 0.55 1.04 -1.26 -2.02 113.70 112.10 2ain s SER 64 Ca 0.07 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 55.78 2ain s SER 64 Cb 0.00 -1.26 0.53 0.00 0.10 0.00 0.00 66.02 65.39 2ain s SER 64 CO 0.05 -0.11 1.55 0.18 0.98 0.00 0.00 173.24 175.89 2ain n LEU 65 N 4.68 4.80 -4.44 2.42 4.77 0.45 -4.94 117.00 124.74 2ain n LEU 65 Ca -0.16 -3.87 -0.43 0.00 -0.03 0.00 0.00 56.01 51.52 2ain n LEU 65 Cb 0.47 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2ain n LEU 65 CO 0.21 1.32 0.64 -0.69 -1.33 0.00 0.00 177.39 177.54 2ain s VAL 66 N -3.45 4.49 0.00 4.08 1.01 -1.25 -4.05 120.40 121.23 2ain s VAL 66 Ca 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2ain s VAL 66 Cb 0.43 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2ain s VAL 66 CO 0.01 -1.29 0.00 0.61 0.00 0.00 0.00 175.10 174.44 2ain n GLY 67 N 5.28 0.99 3.36 4.51 0.00 -1.22 -4.66 105.19 113.46 2ain n GLY 67 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2ain n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ain n LEU 68 N 0.00 0.00 -1.54 0.99 4.77 -1.26 -4.77 117.00 115.18 2ain n LEU 68 Ca 0.00 -2.86 0.06 0.00 -0.03 0.00 0.00 56.01 53.18 2ain n LEU 68 Cb 0.00 0.25 0.31 0.00 -2.33 0.00 0.00 43.42 41.65 2ain n LEU 68 CO 0.00 -0.44 0.73 -1.20 -1.33 0.00 0.00 177.39 175.14 2ain n SER 69 N -1.40 4.56 0.00 -1.43 7.64 -1.26 -4.60 113.62 117.12 2ain n SER 69 Ca -0.16 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2ain n SER 69 Cb 0.59 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2ain n SER 69 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2ain n GLN 70 N 0.52 0.00 -0.26 1.43 7.27 -1.26 -4.58 117.38 120.49 2ain n GLN 70 Ca 0.21 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.32 2ain n GLN 70 Cb 0.95 0.00 0.17 0.00 2.41 0.00 0.00 30.24 33.77 2ain n GLN 70 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2ain h GLU 71 N 0.00 0.56 -0.21 3.69 5.08 -2.00 0.03 114.58 121.74 2ain h GLU 71 Ca 0.00 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2ain h GLU 71 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2ain h GLU 71 CO 0.00 0.37 -0.20 0.00 -1.00 0.00 0.00 179.01 178.18 2ain h ARG 72 N 0.58 0.36 0.48 2.33 2.47 -1.96 -1.03 114.38 117.61 2ain h ARG 72 Ca 0.39 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 2ain h ARG 72 Cb 0.49 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2ain h ARG 72 CO -0.32 0.55 -0.23 0.00 0.56 0.00 0.00 179.97 180.53 2ain h ALA 73 N 1.47 -0.83 -0.83 0.04 0.00 -1.40 -1.60 119.26 116.11 2ain h ALA 73 Ca 0.06 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2ain h ALA 73 Cb 0.54 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2ain h ALA 73 CO 0.04 -0.78 0.50 0.00 0.00 0.00 0.00 179.25 179.01 2ain h ALA 74 N -1.45 1.16 -0.30 0.00 0.00 -1.33 0.04 119.26 117.37 2ain h ALA 74 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ain h ALA 74 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ain h ALA 74 CO 0.11 0.21 0.16 1.49 0.00 0.00 0.00 179.25 181.21 2ain h GLU 75 N 0.90 0.40 0.05 0.00 4.81 -1.24 -1.33 114.58 118.17 2ain h GLU 75 Ca 0.38 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 2ain h GLU 75 Cb 0.23 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.54 2ain h GLU 75 CO -0.20 0.30 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.84 2ain h LEU 76 N 0.41 0.34 -0.90 1.64 3.38 -0.13 -2.45 115.31 117.61 2ain h LEU 76 Ca 0.11 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 57.27 2ain h LEU 76 Cb 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2ain h LEU 76 CO -0.02 1.17 0.57 0.24 0.09 0.00 0.00 178.44 180.49 2ain h MET 77 N -0.45 1.02 -0.04 1.13 2.86 -0.80 -1.68 114.93 116.98 2ain h MET 77 Ca -0.07 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.35 2ain h MET 77 Cb 1.28 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 2ain h MET 77 CO 0.09 0.68 -0.70 0.00 1.06 0.00 0.00 176.91 178.04 2ain h THR 78 N 1.05 1.43 -0.72 2.22 1.03 -1.35 -3.26 112.91 113.31 2ain h THR 78 Ca 0.38 -2.22 -0.40 0.00 -0.01 0.00 0.00 66.41 64.16 2ain h THR 78 Cb 0.13 2.18 -0.14 0.00 -1.07 0.00 0.00 68.15 69.24 2ain h THR 78 CO -0.16 0.65 0.16 0.54 -0.01 0.00 0.00 175.52 176.70 2ain n ARG 79 N -3.79 2.25 -4.23 0.00 5.12 -0.63 -4.91 116.66 110.47 2ain n ARG 79 Ca -0.02 -1.90 -0.25 0.00 -1.93 0.00 0.00 57.85 53.74 2ain n ARG 79 Cb 0.68 -2.08 -0.08 0.00 -1.16 0.00 0.00 32.46 29.82 2ain n ARG 79 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ain s THR 80 N -1.26 2.21 0.09 0.55 -4.23 -1.22 -4.92 115.64 106.85 2ain s THR 80 Ca 0.60 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2ain s THR 80 Cb 0.36 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 71.25 2ain s THR 80 CO -0.15 0.00 0.12 -0.24 -0.54 0.00 0.00 174.62 173.81 2ain n SER 81 N -1.20 0.02 -0.13 3.99 2.88 -1.26 -4.96 113.62 112.97 2ain n SER 81 Ca -0.02 -1.05 -0.04 0.00 -1.33 0.00 0.00 58.87 56.43 2ain n SER 81 Cb 0.65 -0.09 0.03 0.00 -0.75 0.00 0.00 64.21 64.06 2ain n SER 81 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2ain h SER 82 N -0.14 -0.14 -3.36 -3.46 4.64 -1.96 -3.40 113.55 105.73 2ain h SER 82 Ca -0.04 0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.81 2ain h SER 82 Cb 0.11 0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 2ain h SER 82 CO 0.03 -0.04 0.20 0.54 -0.87 0.00 0.00 176.83 176.69 2ain s VAL 83 N -6.17 4.98 0.01 0.95 0.11 -1.26 0.08 120.40 119.09 2ain s VAL 83 Ca -0.13 1.54 0.07 0.00 -2.93 0.00 0.00 61.98 60.53 2ain s VAL 83 Cb 0.14 -4.09 -0.02 0.00 -1.53 0.00 0.00 36.38 30.88 2ain s VAL 83 CO 0.71 0.17 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.73 2ain s VAL 84 N 1.26 1.83 -0.29 2.04 1.01 0.16 -4.95 120.40 121.46 2ain s VAL 84 Ca 0.39 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2ain s VAL 84 Cb -0.18 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.73 2ain s VAL 84 CO 0.17 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.75 2ain s THR 85 N -0.63 2.22 -0.13 3.92 2.01 -1.26 -0.14 115.64 121.63 2ain s THR 85 Ca 0.09 -1.89 -0.02 0.00 0.31 0.00 0.00 61.69 60.18 2ain s THR 85 Cb -0.09 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2ain s THR 85 CO 0.00 -0.24 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.88 2ain s LEU 86 N 1.03 3.21 -0.33 4.42 2.01 -0.79 -0.02 118.68 128.20 2ain s LEU 86 Ca -0.02 -0.10 -0.01 0.00 0.01 0.00 0.00 54.13 54.01 2ain s LEU 86 Cb -0.20 -1.75 0.07 0.00 0.01 0.00 0.00 46.19 44.33 2ain s LEU 86 CO -0.06 0.23 0.05 -0.70 1.01 0.00 0.00 176.35 176.88 2ain s GLU 87 N -0.02 2.18 0.49 1.70 2.12 -1.00 -1.18 118.70 122.99 2ain s GLU 87 Ca 0.00 -1.50 0.08 0.00 0.36 0.00 0.00 54.97 53.91 2ain s GLU 87 Cb -0.13 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.01 2ain s GLU 87 CO 0.03 -0.78 0.50 0.14 -0.54 0.00 0.00 175.26 174.61 2ain s VAL 88 N 1.17 2.31 0.03 3.70 -7.23 -0.75 -2.29 120.40 117.33 2ain s VAL 88 Ca 0.00 -1.26 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 2ain s VAL 88 Cb -0.20 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 2ain s VAL 88 CO -0.03 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.54 2ain s ALA 89 N -2.58 1.88 -0.75 1.32 0.00 -1.23 -0.94 121.76 119.45 2ain s ALA 89 Ca 0.48 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 2ain s ALA 89 Cb -0.04 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.73 2ain s ALA 89 CO 0.29 0.44 1.13 0.15 0.00 0.00 0.00 175.76 177.78 2ain s LYS 90 N -1.00 3.24 0.10 0.00 3.01 0.07 -4.19 119.74 120.96 2ain s LYS 90 Ca 0.09 -0.78 0.01 0.00 -1.01 0.00 0.00 55.97 54.28 2ain s LYS 90 Cb -0.09 -4.41 -0.00 0.00 -1.01 0.00 0.00 37.83 32.32 2ain s LYS 90 CO 0.01 -1.96 0.11 0.00 0.51 0.00 0.00 175.35 174.02 2ain n GLN 91 N 8.24 0.16 0.00 1.68 0.00 -1.26 -3.69 117.38 122.51 2ain n GLN 91 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 57.00 56.10 2ain n GLN 91 Cb 0.48 0.83 0.00 0.00 0.00 0.00 0.00 30.24 31.54 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ain n GLY 92 N -0.19 4.38 3.82 2.61 0.00 -1.26 -4.99 105.19 109.56 2ain n GLY 92 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32