#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m s SER 2 N 0.00 -0.31 -0.10 1.61 1.04 -1.26 -5.18 113.70 109.50 1x4m s SER 2 Ca 0.00 0.52 -0.18 0.00 0.48 0.00 0.00 55.95 56.77 1x4m s SER 2 Cb 0.00 0.99 0.04 0.00 0.10 0.00 0.00 66.02 67.15 1x4m s SER 2 CO 0.00 -0.08 0.44 -0.94 0.98 0.00 0.00 173.24 173.64 1x4m s SER 3 N 0.97 -0.41 -0.23 7.02 1.04 -1.26 -5.17 113.70 115.66 1x4m s SER 3 Ca -0.06 0.63 -0.35 0.00 0.48 0.00 0.00 55.95 56.66 1x4m s SER 3 Cb -0.03 0.69 0.15 0.00 0.10 0.00 0.00 66.02 66.92 1x4m s SER 3 CO -0.12 -0.32 1.27 -0.83 0.98 0.00 0.00 173.24 174.22 1x4m s GLY 4 N -0.46 -0.20 -0.21 7.32 0.00 -1.26 -5.17 107.32 107.34 1x4m s GLY 4 Ca -0.06 1.91 -0.14 0.00 0.00 0.00 0.00 44.72 46.43 1x4m s GLY 4 CO 0.03 0.68 0.52 -0.45 0.00 0.00 0.00 173.10 173.88 1x4m s SER 5 N -1.89 -0.64 0.13 1.64 0.15 -1.26 -5.17 113.70 106.66 1x4m s SER 5 Ca 0.09 1.11 0.08 0.00 0.70 0.00 0.00 55.95 57.93 1x4m s SER 5 Cb -0.01 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 1x4m s SER 5 CO -0.04 -0.20 -0.19 -0.55 1.20 0.00 0.00 173.24 173.45 1x4m s SER 6 N 1.07 2.58 0.00 5.45 0.15 -1.26 -5.13 113.70 116.56 1x4m s SER 6 Ca -0.06 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1x4m s SER 6 Cb -0.06 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1x4m s SER 6 CO -0.10 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x4m n GLY 7 N 0.71 -1.20 3.61 9.45 0.00 -1.26 -5.18 105.19 111.32 1x4m n GLY 7 Ca -0.16 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1x4m n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4m s HIS 8 N -3.00 1.80 -0.31 1.61 0.00 -1.26 -5.14 115.29 108.99 1x4m s HIS 8 Ca 0.00 -1.20 -0.08 0.00 -3.00 0.00 0.00 55.06 50.78 1x4m s HIS 8 Cb 0.00 -1.31 0.19 0.00 -4.00 0.00 0.00 32.58 27.46 1x4m s HIS 8 CO 0.00 -0.14 0.97 0.20 -1.00 0.00 0.00 174.74 174.77 1x4m s GLY 9 N -3.72 -1.10 0.03 -1.38 0.00 -1.26 -5.17 107.32 94.72 1x4m s GLY 9 Ca 0.16 1.74 -0.05 0.00 0.00 0.00 0.00 44.72 46.57 1x4m s GLY 9 CO 0.10 4.07 0.09 0.51 0.00 0.00 0.00 173.10 177.87 1x4m s ASP 10 N 2.71 0.15 -0.20 1.64 1.47 -1.26 -4.72 116.67 116.47 1x4m s ASP 10 Ca 0.23 -0.45 -0.28 0.00 1.18 0.00 0.00 52.55 53.23 1x4m s ASP 10 Cb -0.02 0.20 0.12 0.00 -0.34 0.00 0.00 42.92 42.88 1x4m s ASP 10 CO -0.21 -0.44 0.97 -0.83 0.68 0.00 0.00 175.17 175.33 1x4m s GLY 11 N -1.84 -0.27 -0.01 2.12 0.00 -1.26 -5.14 107.32 100.92 1x4m s GLY 11 Ca -0.09 2.18 -0.30 0.00 0.00 0.00 0.00 44.72 46.51 1x4m s GLY 11 CO -0.02 1.33 1.46 2.56 0.00 0.00 0.00 173.10 178.43 1x4m s PRO 12 N -0.59 4.25 0.00 2.90 0.04 -1.26 -4.82 135.00 135.53 1x4m s PRO 12 Ca -0.01 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x4m s PRO 12 Cb -0.02 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1x4m s PRO 12 CO -0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1x4m n GLY 13 N 3.76 1.45 3.77 0.56 0.00 -1.26 -5.01 105.19 108.46 1x4m n GLY 13 Ca 0.14 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 1x4m n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4m s ASN 14 N 0.00 7.21 0.22 1.61 0.01 -1.26 -4.82 114.94 117.91 1x4m s ASN 14 Ca 0.00 1.97 -0.05 0.00 -0.71 0.00 0.00 52.86 54.07 1x4m s ASN 14 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 1x4m s ASN 14 CO 0.00 -0.17 0.47 0.00 -1.51 0.00 0.00 177.10 175.89 1x4m s ALA 15 N -1.51 3.70 -0.00 0.60 0.00 -0.66 -4.88 121.76 119.01 1x4m s ALA 15 Ca 0.50 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1x4m s ALA 15 Cb -0.22 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 1x4m s ALA 15 CO 0.28 0.45 0.02 0.54 0.00 0.00 0.00 175.76 177.05 1x4m s VAL 16 N -1.87 0.01 -0.05 0.00 0.11 -1.26 -0.56 120.40 116.79 1x4m s VAL 16 Ca 0.43 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1x4m s VAL 16 Cb -0.11 -0.07 0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1x4m s VAL 16 CO 0.27 -0.06 -0.02 -1.10 -3.33 0.00 0.00 175.10 170.86 1x4m s GLN 17 N -0.18 0.58 -0.17 1.54 -1.52 0.30 -4.95 119.66 115.25 1x4m s GLN 17 Ca -0.02 0.02 -0.08 0.00 -1.95 0.00 0.00 55.36 53.33 1x4m s GLN 17 Cb -0.01 -0.76 -0.04 0.00 -0.22 0.00 0.00 33.01 31.97 1x4m s GLN 17 CO -0.00 -0.17 0.10 -1.21 -0.25 0.00 0.00 175.29 173.76 1x4m s GLU 18 N 1.28 3.90 0.00 2.91 2.02 -1.26 -0.45 118.70 127.10 1x4m s GLU 18 Ca -0.06 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1x4m s GLU 18 Cb -0.13 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 1x4m s GLU 18 CO -0.02 0.40 -0.04 0.96 0.02 0.00 0.00 175.26 176.59 1x4m s ILE 19 N 0.03 0.28 -0.01 -1.63 -0.00 -0.39 -4.94 121.20 114.55 1x4m s ILE 19 Ca 0.08 -0.26 -0.30 0.00 -0.00 0.00 0.00 60.65 60.16 1x4m s ILE 19 Cb -0.12 -0.26 -0.03 0.00 -0.00 0.00 0.00 42.46 42.04 1x4m s ILE 19 CO 0.00 0.01 1.08 -0.04 -0.00 0.00 0.00 174.94 175.99 1x4m s MET 20 N -0.28 4.47 -0.08 0.37 -1.94 -1.26 -0.16 119.30 120.42 1x4m s MET 20 Ca -0.01 1.56 0.04 0.00 -1.71 0.00 0.00 55.69 55.57 1x4m s MET 20 Cb -0.02 -3.46 -0.00 0.00 2.01 0.00 0.00 34.83 33.36 1x4m s MET 20 CO -0.00 -0.22 -0.21 0.42 -0.01 0.00 0.00 175.02 175.00 1x4m s ILE 21 N 1.39 1.79 -0.33 2.53 -1.09 -0.14 -4.90 121.20 120.46 1x4m s ILE 21 Ca 0.54 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.79 1x4m s ILE 21 Cb -0.24 -1.55 -0.01 0.00 -1.58 0.00 0.00 42.46 39.09 1x4m s ILE 21 CO 0.26 0.50 1.69 -2.16 -1.23 0.00 0.00 174.94 173.99 1x4m s PRO 22 N 0.25 3.47 0.46 2.79 0.04 -1.26 0.59 135.00 141.34 1x4m s PRO 22 Ca -0.13 1.37 0.40 0.00 0.04 0.00 0.00 61.00 62.68 1x4m s PRO 22 Cb -0.16 -4.13 1.46 0.00 0.04 0.00 0.00 34.50 31.71 1x4m s PRO 22 CO 0.06 -1.69 1.38 0.00 0.04 0.00 0.00 177.00 176.78 1x4m n ALA 23 N 9.65 1.53 0.17 8.56 0.00 -1.25 0.97 120.51 140.14 1x4m n ALA 23 Ca 0.21 0.64 -0.14 0.00 0.00 0.00 0.00 53.44 54.14 1x4m n ALA 23 Cb 0.47 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 1x4m n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4m h SER 24 N 0.00 -0.30 1.69 0.00 0.87 -1.88 -2.85 113.55 111.07 1x4m h SER 24 Ca 0.81 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.38 1x4m h SER 24 Cb 3.08 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 65.11 1x4m h SER 24 CO -0.14 -0.21 -0.24 0.11 -0.53 0.00 0.00 176.83 175.82 1x4m h LYS 25 N -0.37 0.00 -0.23 2.24 1.79 0.24 -3.35 116.57 116.90 1x4m h LYS 25 Ca -0.04 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1x4m h LYS 25 Cb 0.28 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.86 1x4m h LYS 25 CO 0.06 0.00 -0.34 0.00 -1.08 0.00 0.00 179.45 178.09 1x4m h ALA 26 N 2.07 -0.35 -0.15 3.86 0.00 -0.35 0.15 119.26 124.50 1x4m h ALA 26 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1x4m h ALA 26 Cb 0.96 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1x4m h ALA 26 CO 0.00 -0.80 0.16 0.78 0.00 0.00 0.00 179.25 179.40 1x4m h GLY 27 N -0.36 0.00 1.65 0.00 0.00 -1.68 0.45 103.07 103.12 1x4m h GLY 27 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.20 1x4m h GLY 27 CO -0.43 0.00 -1.11 1.41 0.00 0.00 0.00 176.54 176.41 1x4m h LEU 28 N 0.00 0.41 0.00 3.11 4.07 -0.96 -0.21 115.31 121.73 1x4m h LEU 28 Ca 0.07 -0.40 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1x4m h LEU 28 Cb 0.40 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1x4m h LEU 28 CO -0.00 1.26 -0.79 1.62 -1.08 0.00 0.00 178.44 179.46 1x4m h VAL 29 N 0.11 0.07 0.12 1.22 3.04 0.46 -3.36 116.25 117.92 1x4m h VAL 29 Ca -0.10 -1.13 -0.36 0.00 -1.01 0.00 0.00 66.70 64.10 1x4m h VAL 29 Cb 1.80 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 32.76 1x4m h VAL 29 CO 0.18 0.04 -1.96 -0.38 -1.01 0.00 0.00 177.57 174.45 1x4m n ILE 30 N -2.82 1.76 -2.51 3.17 5.41 0.14 -1.82 119.36 122.70 1x4m n ILE 30 Ca 0.00 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1x4m n ILE 30 Cb 0.58 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1x4m n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4m n GLY 31 N 1.96 -2.18 3.57 7.39 0.00 -0.09 -1.23 105.19 114.61 1x4m n GLY 31 Ca -0.32 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1x4m n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4m s LYS 32 N -0.24 3.60 0.00 1.61 1.02 -1.26 -3.60 119.74 120.87 1x4m s LYS 32 Ca 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1x4m s LYS 32 Cb 0.00 -5.42 0.00 0.00 -0.52 0.00 0.00 37.83 31.89 1x4m s LYS 32 CO 0.00 -2.52 0.00 0.41 -0.92 0.00 0.00 175.35 172.32 1x4m n GLY 33 N 5.99 0.95 3.40 -3.33 0.00 -1.26 -4.33 105.19 106.62 1x4m n GLY 33 Ca 0.43 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1x4m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4m n GLY 34 N -0.33 -0.53 0.13 -0.02 0.00 -1.08 -4.95 105.19 98.42 1x4m n GLY 34 Ca 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1x4m n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4m n GLU 35 N -3.95 0.72 -0.01 1.61 1.02 -0.37 -3.96 120.64 115.71 1x4m n GLU 35 Ca -0.24 0.32 -0.01 0.00 -0.02 0.00 0.00 57.16 57.21 1x4m n GLU 35 Cb 0.66 -1.71 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1x4m h THR 36 N -0.13 0.00 -0.96 2.62 2.02 -1.77 -3.33 112.91 111.35 1x4m h THR 36 Ca -0.42 -0.64 0.29 0.00 0.77 0.00 0.00 66.41 66.41 1x4m h THR 36 Cb 1.90 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 68.13 1x4m h THR 36 CO 0.03 0.00 0.10 0.00 0.37 0.00 0.00 175.52 176.01 1x4m n ILE 37 N -3.93 -0.40 -0.31 3.11 3.06 -0.76 0.15 119.36 120.28 1x4m n ILE 37 Ca -0.01 2.09 0.11 0.00 -2.50 0.00 0.00 62.75 62.45 1x4m n ILE 37 Cb 0.02 -3.10 0.29 0.00 0.54 0.00 0.00 39.64 37.39 1x4m n ILE 37 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1x4m h LYS 38 N 0.00 0.54 -0.30 9.51 3.64 -1.70 0.15 116.57 128.41 1x4m h LYS 38 Ca 0.62 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.85 1x4m h LYS 38 Cb 1.35 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1x4m h LYS 38 CO -0.88 0.36 -0.30 1.96 -2.27 0.00 0.00 179.45 178.32 1x4m h GLN 39 N 0.56 0.63 -0.02 1.90 4.20 0.12 -2.67 115.11 119.82 1x4m h GLN 39 Ca 0.53 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1x4m h GLN 39 Cb 0.90 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1x4m h GLN 39 CO -0.44 0.85 0.02 -0.07 -0.67 0.00 0.00 178.83 178.53 1x4m h LEU 40 N 0.54 0.00 -1.67 1.46 3.38 -0.29 -0.33 115.31 118.39 1x4m h LEU 40 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1x4m h LEU 40 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1x4m h LEU 40 CO 0.06 0.00 -0.19 1.56 0.09 0.00 0.00 178.44 179.96 1x4m h GLN 41 N 0.00 0.00 0.12 1.13 4.20 -1.10 -2.88 115.11 116.58 1x4m h GLN 41 Ca 0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.38 1x4m h GLN 41 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1x4m h GLN 41 CO -0.00 0.19 -1.83 0.93 -0.67 0.00 0.00 178.83 177.46 1x4m h GLU 42 N 0.00 0.25 -0.82 1.46 4.39 -1.20 0.41 114.58 119.07 1x4m h GLU 42 Ca -0.00 -0.43 0.15 0.00 0.34 0.00 0.00 59.36 59.41 1x4m h GLU 42 Cb 0.42 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 1x4m h GLU 42 CO 0.02 1.12 0.54 0.00 -1.16 0.00 0.00 179.01 179.53 1x4m h ARG 43 N 0.07 0.53 0.00 2.33 2.47 -1.28 -2.85 114.38 115.64 1x4m h ARG 43 Ca -0.36 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 1x4m h ARG 43 Cb 2.04 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 30.24 1x4m h ARG 43 CO 0.12 0.35 -1.38 0.00 0.56 0.00 0.00 179.97 179.62 1x4m n ALA 44 N -2.48 2.21 -1.76 0.04 0.00 -1.12 -5.03 120.51 112.37 1x4m n ALA 44 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1x4m n ALA 44 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1x4m n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 45 N 2.14 0.67 3.29 0.00 0.00 0.12 -4.90 105.19 106.52 1x4m n GLY 45 Ca -0.03 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1x4m n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x4m s VAL 46 N -2.13 1.40 -0.21 1.61 -7.23 0.27 -4.74 120.40 109.36 1x4m s VAL 46 Ca 0.00 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.87 1x4m s VAL 46 Cb 0.00 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 1x4m s VAL 46 CO 0.00 -0.68 0.51 -0.75 -0.31 0.00 0.00 175.10 173.87 1x4m s LYS 47 N -3.69 4.16 -0.35 4.82 2.20 0.13 -4.13 119.74 122.88 1x4m s LYS 47 Ca 0.19 0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 56.07 1x4m s LYS 47 Cb 0.01 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1x4m s LYS 47 CO 0.03 -0.19 0.21 -1.64 -0.36 0.00 0.00 175.35 173.40 1x4m s MET 48 N 1.79 3.17 -0.24 4.03 -1.94 -1.26 -1.04 119.30 123.80 1x4m s MET 48 Ca 0.23 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.38 1x4m s MET 48 Cb -0.15 -3.73 0.05 0.00 2.01 0.00 0.00 34.83 33.01 1x4m s MET 48 CO 0.09 -0.56 -0.11 0.08 -0.01 0.00 0.00 175.02 174.52 1x4m s VAL 49 N 1.63 1.97 -0.18 -6.03 1.01 -0.08 -4.97 120.40 113.75 1x4m s VAL 49 Ca 0.04 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 1x4m s VAL 49 Cb -0.18 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1x4m s VAL 49 CO 0.08 0.06 1.08 -0.04 0.00 0.00 0.00 175.10 176.27 1x4m s MET 50 N 1.22 4.30 -0.13 2.72 -1.94 -1.26 0.21 119.30 124.42 1x4m s MET 50 Ca -0.06 1.44 -0.07 0.00 -1.71 0.00 0.00 55.69 55.29 1x4m s MET 50 Cb -0.18 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 1x4m s MET 50 CO -0.07 -0.55 0.12 0.42 -0.01 0.00 0.00 175.02 174.94 1x4m s ILE 51 N 2.88 5.38 -0.15 2.53 -1.09 0.29 -4.91 121.20 126.13 1x4m s ILE 51 Ca 0.48 0.16 0.14 0.00 -2.23 0.00 0.00 60.65 59.20 1x4m s ILE 51 Cb -0.18 -3.36 0.38 0.00 -1.58 0.00 0.00 42.46 37.72 1x4m s ILE 51 CO 0.11 0.59 1.19 0.00 -1.23 0.00 0.00 174.94 175.60 1x4m n GLN 52 N 2.27 1.18 -1.08 2.79 0.00 -1.26 -2.69 117.38 118.59 1x4m n GLN 52 Ca -0.19 -2.83 -0.25 0.00 0.00 0.00 0.00 57.00 53.73 1x4m n GLN 52 Cb 0.54 -1.26 0.07 0.00 0.00 0.00 0.00 30.24 29.59 1x4m n GLN 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1x4m n ASP 53 N -0.84 6.47 -1.91 2.61 8.00 -1.26 -4.91 116.55 124.71 1x4m n ASP 53 Ca 0.15 -3.39 -0.02 0.00 0.71 0.00 0.00 54.79 52.24 1x4m n ASP 53 Cb 0.76 -0.97 -0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1x4m n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4m n GLY 54 N -0.38 4.10 3.57 0.44 0.00 -1.26 -5.04 105.19 106.63 1x4m n GLY 54 Ca 0.46 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1x4m n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 55 N -2.12 2.50 0.40 1.61 0.04 -1.26 -4.75 135.00 131.43 1x4m s PRO 55 Ca 0.01 -0.86 0.12 0.00 0.04 0.00 0.00 61.00 60.31 1x4m s PRO 55 Cb 0.00 -5.18 0.84 0.00 0.04 0.00 0.00 34.50 30.21 1x4m s PRO 55 CO 0.00 -3.79 1.92 -0.56 0.04 0.00 0.00 177.00 174.62 1x4m h GLN 56 N 10.28 0.11 0.00 4.56 3.07 -1.86 -3.43 115.11 127.84 1x4m h GLN 56 Ca 0.17 -0.03 -0.37 0.00 0.09 0.00 0.00 58.65 58.52 1x4m h GLN 56 Cb 0.96 -0.01 0.15 0.00 0.08 0.00 0.00 27.48 28.65 1x4m h GLN 56 CO 1.22 0.31 0.34 0.27 0.09 0.00 0.00 178.83 181.06 1x4m n ASN 57 N -4.26 0.13 -3.92 0.06 0.23 -1.26 -4.13 115.26 102.11 1x4m n ASN 57 Ca -0.02 -1.43 -0.34 0.00 -0.53 0.00 0.00 54.58 52.27 1x4m n ASN 57 Cb 0.29 -0.85 -0.06 0.00 -2.08 0.00 0.00 39.78 37.08 1x4m n ASN 57 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1x4m n THR 58 N -3.51 -0.05 0.00 5.53 5.66 -1.26 -4.71 114.28 115.94 1x4m n THR 58 Ca 0.14 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1x4m n THR 58 Cb 0.49 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1x4m n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x4m n GLY 59 N -1.02 3.35 2.81 1.09 0.00 -1.26 -5.09 105.19 105.07 1x4m n GLY 59 Ca 0.07 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m s ALA 60 N -2.00 2.75 0.07 4.61 0.00 -1.26 -4.76 121.76 121.17 1x4m s ALA 60 Ca 0.00 -2.99 -0.26 0.00 0.00 0.00 0.00 51.96 48.71 1x4m s ALA 60 Cb 0.00 -2.01 0.09 0.00 0.00 0.00 0.00 23.12 21.20 1x4m s ALA 60 CO 0.00 -2.05 0.73 0.16 0.00 0.00 0.00 175.76 174.61 1x4m s ASP 61 N -0.12 -0.48 -0.03 0.00 1.47 -1.26 -3.75 116.67 112.49 1x4m s ASP 61 Ca 0.19 0.04 -0.01 0.00 1.18 0.00 0.00 52.55 53.95 1x4m s ASP 61 Cb -0.21 0.50 0.03 0.00 -0.34 0.00 0.00 42.92 42.90 1x4m s ASP 61 CO -0.03 -0.79 0.05 -0.54 0.68 0.00 0.00 175.17 174.53 1x4m s LYS 62 N -3.33 -0.03 -0.40 2.11 -0.14 0.20 -4.78 119.74 113.38 1x4m s LYS 62 Ca 0.02 0.23 -0.28 0.00 -1.36 0.00 0.00 55.97 54.58 1x4m s LYS 62 Cb -0.01 -0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 35.86 1x4m s LYS 62 CO -0.10 -0.19 1.73 -1.25 -0.76 0.00 0.00 175.35 174.78 1x4m s PRO 63 N 1.21 3.26 -0.21 -1.68 0.04 -1.09 -0.96 135.00 135.57 1x4m s PRO 63 Ca -0.07 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1x4m s PRO 63 Cb -0.13 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 1x4m s PRO 63 CO -0.03 -1.95 0.55 -1.17 0.04 0.00 0.00 177.00 174.44 1x4m s LEU 64 N 6.96 4.13 -0.36 -3.56 2.96 0.78 -0.54 118.68 129.04 1x4m s LEU 64 Ca 0.74 0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 55.19 1x4m s LEU 64 Cb -0.19 -2.76 -0.00 0.00 0.50 0.00 0.00 46.19 43.74 1x4m s LEU 64 CO 0.31 -0.23 0.40 -0.60 -1.32 0.00 0.00 176.35 174.92 1x4m s ARG 65 N 1.84 3.49 -0.45 1.98 3.52 0.13 -1.26 118.95 128.21 1x4m s ARG 65 Ca 0.25 -0.43 -0.11 0.00 -0.13 0.00 0.00 55.73 55.31 1x4m s ARG 65 Cb -0.16 -3.83 0.09 0.00 -1.56 0.00 0.00 34.95 29.49 1x4m s ARG 65 CO 0.10 -0.61 0.32 0.42 -0.81 0.00 0.00 175.30 174.72 1x4m s ILE 66 N 2.11 4.52 0.11 4.11 1.01 0.40 -0.90 121.20 132.57 1x4m s ILE 66 Ca 0.13 -1.40 0.02 0.00 0.00 0.00 0.00 60.65 59.40 1x4m s ILE 66 Cb -0.16 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1x4m s ILE 66 CO 0.12 -0.59 0.23 0.42 0.00 0.00 0.00 174.94 175.12 1x4m s THR 67 N 1.47 5.19 0.00 2.92 -4.23 -0.21 -0.54 115.64 120.24 1x4m s THR 67 Ca 0.04 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1x4m s THR 67 Cb -0.24 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1x4m s THR 67 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1x4m n GLY 68 N -0.15 -0.59 3.70 3.99 0.00 0.28 0.19 105.19 112.61 1x4m n GLY 68 Ca -0.07 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1x4m n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4m s ASP 69 N -4.00 4.86 0.30 1.61 1.01 -1.26 -1.66 116.67 117.53 1x4m s ASP 69 Ca 0.00 -0.49 0.08 0.00 0.71 0.00 0.00 52.55 52.86 1x4m s ASP 69 Cb 0.00 -1.03 0.46 0.00 1.01 0.00 0.00 42.92 43.36 1x4m s ASP 69 CO 0.00 0.01 1.69 1.55 0.21 0.00 0.00 175.17 178.63 1x4m h PRO 70 N 1.95 0.13 0.00 8.23 0.13 -1.87 0.60 132.00 141.17 1x4m h PRO 70 Ca -0.46 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1x4m h PRO 70 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x4m h PRO 70 CO 0.60 0.58 -1.41 0.98 -0.23 0.00 0.00 178.00 178.53 1x4m n TYR 71 N -3.97 0.60 -0.10 1.56 4.19 -1.26 -4.30 117.16 113.87 1x4m n TYR 71 Ca -0.02 0.18 -0.19 0.00 3.31 0.00 0.00 57.90 61.18 1x4m n TYR 71 Cb 0.51 -0.79 -0.08 0.00 0.49 0.00 0.00 39.34 39.47 1x4m n TYR 71 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1x4m n LYS 72 N -2.53 0.54 -0.48 2.98 5.02 -1.17 -4.12 118.16 118.41 1x4m n LYS 72 Ca -0.02 0.45 0.40 0.00 -2.02 0.00 0.00 58.31 57.12 1x4m n LYS 72 Cb 0.57 -1.64 0.66 0.00 -0.02 0.00 0.00 35.03 34.60 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m n VAL 73 N -4.43 -0.21 -0.12 -0.18 0.31 0.21 0.24 118.33 114.15 1x4m n VAL 73 Ca -0.30 1.67 -0.13 0.00 -0.01 0.00 0.00 64.34 65.57 1x4m n VAL 73 Cb 0.62 -2.75 -0.02 0.00 -0.91 0.00 0.00 33.84 30.78 1x4m n VAL 73 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1x4m h GLN 74 N 0.00 0.94 0.57 5.55 4.20 -1.75 -2.88 115.11 121.74 1x4m h GLN 74 Ca 0.84 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 1x4m h GLN 74 Cb 2.80 0.02 0.01 0.00 0.30 0.00 0.00 27.48 30.61 1x4m h GLN 74 CO -0.39 1.16 -0.27 1.96 -0.67 0.00 0.00 178.83 180.61 1x4m h GLN 75 N 0.76 -0.74 -0.67 1.46 4.20 0.29 -3.08 115.11 117.33 1x4m h GLN 75 Ca 0.06 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.96 1x4m h GLN 75 Cb 1.00 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.83 1x4m h GLN 75 CO 0.10 -0.45 0.04 0.00 -0.67 0.00 0.00 178.83 177.86 1x4m h ALA 76 N -0.53 0.72 -0.79 3.87 0.00 -1.47 -0.72 119.26 120.35 1x4m h ALA 76 Ca -0.08 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1x4m h ALA 76 Cb 0.63 0.32 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 1x4m h ALA 76 CO 0.13 -0.39 -0.16 -0.22 0.00 0.00 0.00 179.25 178.61 1x4m h LYS 77 N 0.15 0.01 -0.56 0.00 3.64 -1.42 0.27 116.57 118.66 1x4m h LYS 77 Ca 0.36 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1x4m h LYS 77 Cb 0.61 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1x4m h LYS 77 CO -0.55 0.01 0.36 0.93 -2.27 0.00 0.00 179.45 177.92 1x4m h GLU 78 N 0.01 0.69 0.00 1.90 4.39 -1.10 0.15 114.58 120.63 1x4m h GLU 78 Ca 0.39 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.07 1x4m h GLU 78 Cb 0.62 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1x4m h GLU 78 CO -0.79 0.46 -0.14 0.52 -1.16 0.00 0.00 179.01 177.90 1x4m h MET 79 N 0.72 -0.22 -0.37 2.33 2.86 -0.29 0.34 114.93 120.30 1x4m h MET 79 Ca 0.21 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1x4m h MET 79 Cb -0.03 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1x4m h MET 79 CO -0.07 -0.15 0.11 0.28 1.06 0.00 0.00 176.91 178.14 1x4m h VAL 80 N -0.23 1.21 -0.08 -2.22 2.07 -0.88 -1.81 116.25 114.30 1x4m h VAL 80 Ca 0.05 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.88 1x4m h VAL 80 Cb 0.29 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1x4m h VAL 80 CO -0.13 0.25 0.06 -0.07 0.02 0.00 0.00 177.57 177.69 1x4m h LEU 81 N 0.44 0.00 0.00 2.57 3.38 -0.43 -0.37 115.31 120.90 1x4m h LEU 81 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1x4m h LEU 81 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1x4m h LEU 81 CO -0.00 0.00 -0.59 -0.08 0.09 0.00 0.00 178.44 177.85 1x4m h GLU 82 N 0.00 0.00 -0.19 1.13 4.81 -0.50 -3.04 114.58 116.79 1x4m h GLU 82 Ca 0.04 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1x4m h GLU 82 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1x4m h GLU 82 CO -0.00 0.48 -0.22 1.25 -0.73 0.00 0.00 179.01 179.79 1x4m h LEU 83 N 0.00 0.34 0.00 1.64 7.12 -0.22 -2.55 115.31 121.64 1x4m h LEU 83 Ca -0.02 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1x4m h LEU 83 Cb 1.40 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1x4m h LEU 83 CO 0.06 0.57 -0.71 0.16 -0.13 0.00 0.00 178.44 178.39 1x4m h ILE 84 N 0.31 0.00 -4.44 4.05 3.07 -1.56 -3.46 117.51 115.48 1x4m h ILE 84 Ca 0.05 -0.62 -0.48 0.00 1.55 0.00 0.00 64.86 65.36 1x4m h ILE 84 Cb 0.56 1.18 0.10 0.00 -0.27 0.00 0.00 36.82 38.39 1x4m h ILE 84 CO 0.04 0.00 0.38 -0.13 -1.05 0.00 0.00 178.15 177.39 1x4m s ARG 85 N -3.21 2.26 -0.01 0.16 0.52 -0.96 -4.96 118.95 112.74 1x4m s ARG 85 Ca 0.05 0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 55.65 1x4m s ARG 85 Cb 0.12 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 1x4m s ARG 85 CO 0.74 -1.45 -0.02 -0.40 0.02 0.00 0.00 175.30 174.20 1x4m n ASP 86 N -3.27 0.39 -4.31 0.23 5.75 -1.26 -4.98 116.55 109.09 1x4m n ASP 86 Ca 0.07 0.01 -0.61 0.00 -0.01 0.00 0.00 54.79 54.25 1x4m n ASP 86 Cb 0.58 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 1x4m n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x4m n GLN 87 N -3.02 0.00 -2.67 0.11 10.64 -1.26 -4.84 117.38 116.35 1x4m n GLN 87 Ca -0.02 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.96 1x4m n GLN 87 Cb 0.52 -1.46 0.01 0.00 -0.86 0.00 0.00 30.24 28.44 1x4m n GLN 87 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1x4m n GLY 88 N 6.11 3.80 3.76 2.61 0.00 -1.26 -5.10 105.19 115.12 1x4m n GLY 88 Ca 0.45 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1x4m n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4m s SER 89 N -3.24 5.67 0.00 1.61 0.15 -1.26 -4.82 113.70 111.80 1x4m s SER 89 Ca 0.38 2.33 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1x4m s SER 89 Cb 0.41 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1x4m s SER 89 CO -0.08 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 173.71 1x4m n GLY 90 N 0.40 0.86 0.22 9.45 0.00 -1.26 -4.88 105.19 109.97 1x4m n GLY 90 Ca 0.11 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 1x4m n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m h PRO 91 N 0.00 0.52 -6.24 1.61 0.13 -1.96 -3.25 132.00 122.81 1x4m h PRO 91 Ca 0.00 -0.27 -0.56 0.00 -0.87 0.00 0.00 66.00 64.30 1x4m h PRO 91 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1x4m h PRO 91 CO 0.00 0.85 1.03 -1.54 -0.23 0.00 0.00 178.00 178.12 1x4m s SER 92 N -6.87 6.67 -1.64 1.44 1.04 -1.26 -3.42 113.70 109.66 1x4m s SER 92 Ca -0.07 1.80 -0.09 0.00 0.48 0.00 0.00 55.95 58.08 1x4m s SER 92 Cb 0.12 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.79 1x4m s SER 92 CO 0.82 -0.99 0.30 -1.20 0.98 0.00 0.00 173.24 173.15 1x4m n SER 93 N 7.40 -0.40 0.00 7.02 7.64 -1.26 -4.86 113.62 129.15 1x4m n SER 93 Ca 0.16 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1x4m n SER 93 Cb 0.44 -1.90 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 1x4m n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64