#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 6.21 -0.51 1.61 0.15 -1.26 -4.99 113.70 114.91 1x4m s SER 2 Ca 0.00 -0.91 -0.04 0.00 0.70 0.00 0.00 55.95 55.70 1x4m s SER 2 Cb 0.00 -2.40 0.13 0.00 -1.71 0.00 0.00 66.02 62.04 1x4m s SER 2 CO 0.00 -1.33 0.33 -0.94 1.20 0.00 0.00 173.24 172.51 1x4m s SER 3 N 3.44 5.38 0.00 5.45 1.04 -1.26 -4.89 113.70 122.86 1x4m s SER 3 Ca 0.22 -2.33 0.00 0.00 0.48 0.00 0.00 55.95 54.32 1x4m s SER 3 Cb -0.17 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1x4m s SER 3 CO 0.12 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1x4m n GLY 4 N 4.23 0.32 3.68 7.32 0.00 -1.26 -5.04 105.19 114.43 1x4m n GLY 4 Ca 0.01 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1x4m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4m s SER 5 N 0.00 6.78 -0.82 1.61 0.15 -1.26 -4.95 113.70 115.21 1x4m s SER 5 Ca 0.00 0.95 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 1x4m s SER 5 Cb 0.00 -2.37 -0.17 0.00 -1.71 0.00 0.00 66.02 61.77 1x4m s SER 5 CO 0.00 -0.23 2.59 -0.24 1.20 0.00 0.00 173.24 176.56 1x4m n SER 6 N 4.66 0.96 -3.63 5.45 2.88 -1.26 -2.75 113.62 119.93 1x4m n SER 6 Ca -0.01 -0.02 -0.32 0.00 -1.33 0.00 0.00 58.87 57.19 1x4m n SER 6 Cb 0.50 -1.13 0.02 0.00 -0.75 0.00 0.00 64.21 62.85 1x4m n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4m n GLY 7 N 6.37 -0.52 3.42 0.46 0.00 -1.26 -4.91 105.19 108.75 1x4m n GLY 7 Ca 0.56 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 47.17 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 -2.17 0.26 0.19 1.61 0.00 -1.11 -4.89 115.29 109.17 1x4m s HIS 8 Ca 0.20 0.73 0.00 0.00 -3.00 0.00 0.00 55.06 52.99 1x4m s HIS 8 Cb -0.02 -3.07 0.00 0.00 -4.00 0.00 0.00 32.58 25.49 1x4m s HIS 8 CO 0.88 -4.39 0.00 0.41 -1.00 0.00 0.00 174.74 170.64 1x4m n GLY 9 N 0.65 -3.09 0.30 -1.38 0.00 -1.26 -4.97 105.19 95.43 1x4m n GLY 9 Ca 0.09 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1x4m n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x4m n ASP 10 N -2.11 1.71 0.00 1.61 9.92 -1.26 -5.10 116.55 121.32 1x4m n ASP 10 Ca -0.01 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1x4m n ASP 10 Cb 0.17 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1x4m n ASP 10 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4m n GLY 11 N 1.83 0.95 3.77 0.44 0.00 -1.26 -5.12 105.19 105.79 1x4m n GLY 11 Ca -0.19 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 1x4m n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 12 N 0.00 4.01 0.00 1.61 0.04 -1.26 -4.91 135.00 134.49 1x4m s PRO 12 Ca 0.00 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1x4m s PRO 12 Cb 0.00 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1x4m s PRO 12 CO 0.00 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1x4m n GLY 13 N 0.62 2.86 3.60 0.56 0.00 -1.26 -5.02 105.19 106.55 1x4m n GLY 13 Ca 0.05 -1.88 -0.47 0.00 0.00 0.00 0.00 46.02 43.71 1x4m n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4m n ASN 14 N 0.00 1.62 -4.82 1.61 4.13 -1.26 -4.86 115.26 111.68 1x4m n ASN 14 Ca 0.00 1.15 -0.36 0.00 1.68 0.00 0.00 54.58 57.05 1x4m n ASN 14 Cb 0.00 -1.27 -0.06 0.00 -1.54 0.00 0.00 39.78 36.91 1x4m n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x4m s ALA 15 N -0.32 3.45 -0.05 5.41 0.00 0.39 -4.84 121.76 125.79 1x4m s ALA 15 Ca 0.69 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1x4m s ALA 15 Cb -0.78 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1x4m s ALA 15 CO 0.53 0.36 0.01 0.54 0.00 0.00 0.00 175.76 177.20 1x4m s VAL 16 N -1.51 0.22 -0.14 0.00 0.11 -1.26 -0.02 120.40 117.81 1x4m s VAL 16 Ca 0.42 0.18 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1x4m s VAL 16 Cb -0.16 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1x4m s VAL 16 CO 0.20 0.22 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.89 1x4m s GLN 17 N 1.79 3.10 -0.12 1.54 -1.52 0.75 -4.91 119.66 120.30 1x4m s GLN 17 Ca 0.01 -0.82 -0.03 0.00 -1.95 0.00 0.00 55.36 52.57 1x4m s GLN 17 Cb -0.13 -2.48 -0.03 0.00 -0.22 0.00 0.00 33.01 30.15 1x4m s GLN 17 CO -0.04 0.04 0.02 -1.21 -0.25 0.00 0.00 175.29 173.85 1x4m s GLU 18 N 0.71 3.31 0.12 2.91 2.02 -1.26 0.25 118.70 126.76 1x4m s GLU 18 Ca -0.09 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1x4m s GLU 18 Cb -0.16 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1x4m s GLU 18 CO 0.01 0.56 -0.06 0.96 0.02 0.00 0.00 175.26 176.74 1x4m s ILE 19 N -0.47 0.80 -0.25 -1.63 -0.00 -0.28 -4.94 121.20 114.42 1x4m s ILE 19 Ca 0.09 -1.97 -0.15 0.00 -0.00 0.00 0.00 60.65 58.61 1x4m s ILE 19 Cb -0.12 -1.79 -0.04 0.00 -0.00 0.00 0.00 42.46 40.51 1x4m s ILE 19 CO 0.02 -0.78 0.38 0.00 -0.00 0.00 0.00 174.94 174.56 1x4m s MET 20 N -3.83 4.05 -0.13 0.37 0.23 -1.26 0.22 119.30 118.95 1x4m s MET 20 Ca 0.15 0.09 -0.01 0.00 -1.03 0.00 0.00 55.69 54.89 1x4m s MET 20 Cb 0.05 -3.63 -0.02 0.00 -1.53 0.00 0.00 34.83 29.70 1x4m s MET 20 CO -0.02 -0.23 -0.12 0.42 -2.03 0.00 0.00 175.02 173.04 1x4m s ILE 21 N 1.91 3.16 0.11 3.16 -1.09 -0.14 -4.92 121.20 123.40 1x4m s ILE 21 Ca 0.16 -0.62 -0.31 0.00 -2.23 0.00 0.00 60.65 57.65 1x4m s ILE 21 Cb -0.15 -2.34 -0.08 0.00 -1.58 0.00 0.00 42.46 38.31 1x4m s ILE 21 CO 0.09 0.52 1.36 -2.16 -1.23 0.00 0.00 174.94 173.53 1x4m s PRO 22 N 0.36 4.34 0.37 2.79 0.04 -1.26 -0.15 135.00 141.49 1x4m s PRO 22 Ca -0.10 2.04 0.18 0.00 0.04 0.00 0.00 61.00 63.16 1x4m s PRO 22 Cb -0.16 -3.26 1.01 0.00 0.04 0.00 0.00 34.50 32.13 1x4m s PRO 22 CO 0.05 -0.41 1.51 0.00 0.04 0.00 0.00 177.00 178.19 1x4m h ALA 23 N 6.74 1.14 0.14 8.56 0.00 -1.93 0.21 119.26 134.13 1x4m h ALA 23 Ca -0.42 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1x4m h ALA 23 Cb 1.21 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1x4m h ALA 23 CO 0.85 -0.14 -0.88 1.03 0.00 0.00 0.00 179.25 180.11 1x4m h SER 24 N 0.00 0.52 -0.04 0.00 0.87 -1.99 -3.30 113.55 109.61 1x4m h SER 24 Ca 0.00 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 1x4m h SER 24 Cb 0.40 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1x4m h SER 24 CO 0.00 1.42 0.00 0.29 -0.53 0.00 0.00 176.83 178.01 1x4m n LYS 25 N -4.08 1.88 0.00 2.24 4.76 -0.07 -4.06 118.16 118.83 1x4m n LYS 25 Ca -0.14 -1.29 0.06 0.00 -2.87 0.00 0.00 58.31 54.08 1x4m n LYS 25 Cb 0.85 -1.47 0.35 0.00 -1.84 0.00 0.00 35.03 32.92 1x4m n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4m n ALA 26 N 0.56 1.87 0.48 7.82 0.00 0.54 -1.66 120.51 130.12 1x4m n ALA 26 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1x4m n ALA 26 Cb 0.43 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.71 1x4m n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 27 N -0.20 -0.28 0.10 0.00 0.00 -1.26 -3.93 105.19 99.62 1x4m n GLY 27 Ca 0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1x4m n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4m n LEU 28 N 0.53 0.17 -0.03 0.99 4.32 -0.66 -3.52 117.00 118.80 1x4m n LEU 28 Ca 0.06 -0.01 -0.11 0.00 -0.02 0.00 0.00 56.01 55.94 1x4m n LEU 28 Cb 0.28 0.40 -0.14 0.00 -1.62 0.00 0.00 43.42 42.34 1x4m n LEU 28 CO 0.08 0.51 -0.66 0.55 -1.22 0.00 0.00 177.39 176.65 1x4m n VAL 29 N -2.75 1.60 0.10 4.08 3.14 -1.20 -4.33 118.33 118.98 1x4m n VAL 29 Ca -0.33 -0.78 -0.23 0.00 -2.96 0.00 0.00 64.34 60.04 1x4m n VAL 29 Cb 1.13 -1.07 -0.15 0.00 -1.06 0.00 0.00 33.84 32.69 1x4m n VAL 29 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1x4m h ILE 30 N 0.01 1.33 0.00 1.55 2.04 -1.79 1.27 117.51 121.92 1x4m h ILE 30 Ca -0.35 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 62.90 1x4m h ILE 30 Cb 2.05 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 41.20 1x4m h ILE 30 CO 0.07 0.77 0.00 0.61 0.00 0.00 0.00 178.15 179.60 1x4m n GLY 31 N 1.71 0.69 2.68 5.37 0.00 -1.23 -0.39 105.19 114.02 1x4m n GLY 31 Ca -0.17 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1x4m n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4m n LYS 32 N 6.14 3.33 0.00 1.61 2.85 -1.26 -4.64 118.16 126.18 1x4m n LYS 32 Ca 0.00 -4.62 0.00 0.00 -1.05 0.00 0.00 58.31 52.64 1x4m n LYS 32 Cb 0.00 -2.37 0.00 0.00 -0.65 0.00 0.00 35.03 32.01 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x4m n GLY 33 N 1.08 1.80 1.26 2.58 0.00 -1.26 -4.58 105.19 106.06 1x4m n GLY 33 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.79 0.56 0.06 -0.02 0.00 -1.10 -5.03 105.19 98.87 1x4m n GLY 34 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.00 0.38 0.11 1.61 4.71 0.47 -4.04 120.64 122.89 1x4m n GLU 35 Ca -0.01 0.40 -0.05 0.00 -0.01 0.00 0.00 57.16 57.50 1x4m n GLU 35 Cb 0.51 -1.45 -0.02 0.00 -1.01 0.00 0.00 31.44 29.47 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1x4m h THR 36 N -0.80 0.00 -1.09 2.62 2.02 -1.68 -2.79 112.91 111.19 1x4m h THR 36 Ca 0.00 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.60 1x4m h THR 36 Cb 0.50 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.75 1x4m h THR 36 CO 0.00 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.53 1x4m n ILE 37 N -2.88 -0.34 -0.22 3.11 3.06 0.44 0.14 119.36 122.67 1x4m n ILE 37 Ca -0.04 1.85 0.00 0.00 -2.50 0.00 0.00 62.75 62.06 1x4m n ILE 37 Cb 0.12 -3.01 0.12 0.00 0.54 0.00 0.00 39.64 37.41 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 0.49 -0.30 9.51 3.64 -1.63 -0.86 116.57 127.42 1x4m h LYS 38 Ca 0.82 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 60.10 1x4m h LYS 38 Cb 2.36 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 34.06 1x4m h LYS 38 CO -0.62 0.32 -0.13 1.96 -2.27 0.00 0.00 179.45 178.71 1x4m h GLN 39 N 0.50 0.51 -0.00 1.90 1.08 0.13 -2.27 115.11 116.97 1x4m h GLN 39 Ca 0.32 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1x4m h GLN 39 Cb 0.35 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1x4m h GLN 39 CO -0.28 0.64 0.00 -0.07 -0.95 0.00 0.00 178.83 178.17 1x4m h LEU 40 N 0.47 0.00 -1.25 1.46 3.38 -0.87 0.60 115.31 119.09 1x4m h LEU 40 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x4m h LEU 40 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x4m h LEU 40 CO 0.03 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.12 1x4m h GLN 41 N 0.00 0.00 0.04 1.13 4.20 -1.16 -2.85 115.11 116.47 1x4m h GLN 41 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1x4m h GLN 41 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1x4m h GLN 41 CO -0.00 0.00 -2.12 0.39 -0.67 0.00 0.00 178.83 176.43 1x4m n GLU 42 N -2.99 0.69 0.23 1.46 -0.58 0.17 -0.71 120.64 118.90 1x4m n GLU 42 Ca 0.01 0.19 0.06 0.00 -0.42 0.00 0.00 57.16 57.00 1x4m n GLU 42 Cb 0.32 -1.65 0.52 0.00 -0.57 0.00 0.00 31.44 30.06 1x4m n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4m h ARG 43 N 0.02 0.00 -0.00 3.49 3.08 -1.38 -2.92 114.38 116.68 1x4m h ARG 43 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1x4m h ARG 43 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.09 1x4m h ARG 43 CO 0.03 0.19 -0.09 0.00 -1.07 0.00 0.00 179.97 179.03 1x4m n ALA 44 N -2.48 2.51 -3.56 0.04 0.00 -1.08 -5.01 120.51 110.92 1x4m n ALA 44 Ca -0.02 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1x4m n ALA 44 Cb 0.26 -0.15 0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 0.65 -0.50 3.33 0.00 0.00 -0.45 -4.69 105.19 103.52 1x4m n GLY 45 Ca 0.02 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.32 0.48 -0.25 1.61 -7.23 0.11 -4.62 120.40 107.18 1x4m s VAL 46 Ca 0.54 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1x4m s VAL 46 Cb -0.24 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1x4m s VAL 46 CO 0.71 0.00 0.10 -0.75 -0.31 0.00 0.00 175.10 174.85 1x4m s LYS 47 N -3.95 3.77 -0.25 4.82 2.20 -0.23 -4.22 119.74 121.88 1x4m s LYS 47 Ca 0.37 -0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 1x4m s LYS 47 Cb 0.07 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1x4m s LYS 47 CO 0.15 -0.12 0.08 -1.64 -0.36 0.00 0.00 175.35 173.45 1x4m s MET 48 N 1.48 3.69 -0.07 4.03 -1.94 -1.26 -1.63 119.30 123.59 1x4m s MET 48 Ca 0.06 -0.46 -0.00 0.00 -1.71 0.00 0.00 55.69 53.58 1x4m s MET 48 Cb -0.15 -3.34 0.02 0.00 2.01 0.00 0.00 34.83 33.37 1x4m s MET 48 CO 0.05 -0.17 -0.03 0.08 -0.01 0.00 0.00 175.02 174.94 1x4m s VAL 49 N 1.57 0.61 -0.05 -6.03 1.01 -0.34 -4.97 120.40 112.20 1x4m s VAL 49 Ca 0.06 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1x4m s VAL 49 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1x4m s VAL 49 CO 0.04 0.28 0.94 -0.04 0.00 0.00 0.00 175.10 176.32 1x4m s MET 50 N 1.58 4.48 -0.20 2.72 -1.94 -1.26 -0.35 119.30 124.34 1x4m s MET 50 Ca 0.00 1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 55.19 1x4m s MET 50 Cb -0.13 -3.49 -0.05 0.00 2.01 0.00 0.00 34.83 33.17 1x4m s MET 50 CO -0.04 -0.13 0.12 0.42 -0.01 0.00 0.00 175.02 175.38 1x4m s ILE 51 N 1.37 5.36 -0.19 2.53 -1.09 0.02 -4.92 121.20 124.28 1x4m s ILE 51 Ca 0.48 0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.89 1x4m s ILE 51 Cb -0.19 -3.44 -0.15 0.00 -1.58 0.00 0.00 42.46 37.09 1x4m s ILE 51 CO 0.22 0.45 0.09 0.00 -1.23 0.00 0.00 174.94 174.47 1x4m n GLN 52 N 3.48 0.54 -1.15 2.79 3.00 -1.26 -3.44 117.38 121.34 1x4m n GLN 52 Ca -0.16 0.55 -0.41 0.00 -0.01 0.00 0.00 57.00 56.97 1x4m n GLN 52 Cb 0.52 -1.72 -0.03 0.00 0.00 0.00 0.00 30.24 29.00 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 -4.47 -0.74 0.00 1.08 9.92 -1.26 -4.46 116.55 116.62 1x4m n ASP 53 Ca -0.27 0.92 0.00 0.00 -0.53 0.00 0.00 54.79 54.91 1x4m n ASP 53 Cb 0.59 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1x4m n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4m n GLY 54 N 1.50 -0.46 0.00 0.44 0.00 -1.26 -4.88 105.19 100.53 1x4m n GLY 54 Ca 0.15 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1x4m n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 55 N 0.00 -0.80 -3.48 1.61 -0.04 -1.26 -5.08 135.00 125.96 1x4m n PRO 55 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1x4m n PRO 55 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1x4m n PRO 55 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1x4m s GLN 56 N -2.67 2.43 0.59 0.54 -0.21 -1.26 -4.96 119.66 114.12 1x4m s GLN 56 Ca 0.00 -1.67 0.31 0.00 0.02 0.00 0.00 55.36 54.02 1x4m s GLN 56 Cb 0.00 -2.40 1.29 0.00 1.00 0.00 0.00 33.01 32.90 1x4m s GLN 56 CO 0.00 -0.48 1.60 -0.97 -2.12 0.00 0.00 175.29 173.32 1x4m h ASN 57 N 0.71 0.00 -1.30 5.90 -1.24 -2.03 0.17 115.58 117.79 1x4m h ASN 57 Ca -0.37 0.00 0.38 0.00 0.71 0.00 0.00 56.30 57.02 1x4m h ASN 57 Cb 1.28 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.28 1x4m h ASN 57 CO 0.52 0.00 0.93 0.00 -1.29 0.00 0.00 177.43 177.59 1x4m h THR 58 N 0.00 0.35 0.00 -3.57 1.03 -2.04 -3.46 112.91 105.21 1x4m h THR 58 Ca 0.45 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.85 1x4m h THR 58 Cb 2.33 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 1x4m h THR 58 CO -0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1x4m n GLY 59 N -1.78 -0.63 3.28 2.99 0.00 0.58 -5.15 105.19 104.49 1x4m n GLY 59 Ca 0.28 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m n ALA 60 N 0.97 -1.89 -0.96 4.61 0.00 -1.26 -4.93 120.51 117.05 1x4m n ALA 60 Ca 0.00 -1.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.09 1x4m n ALA 60 Cb 0.00 0.70 0.07 0.00 0.00 0.00 0.00 19.45 20.21 1x4m n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x4m n ASP 61 N -1.34 -4.31 -4.08 0.00 2.03 -1.26 -4.70 116.55 102.89 1x4m n ASP 61 Ca -0.05 0.28 -0.32 0.00 0.52 0.00 0.00 54.79 55.22 1x4m n ASP 61 Cb 0.51 -0.94 -0.15 0.00 -0.72 0.00 0.00 41.12 39.81 1x4m n ASP 61 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x4m s LYS 62 N -2.55 2.34 -0.30 -0.67 -0.14 0.79 -4.88 119.74 114.33 1x4m s LYS 62 Ca 0.48 -1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 53.52 1x4m s LYS 62 Cb -0.22 -2.86 -0.02 0.00 -1.68 0.00 0.00 37.83 33.06 1x4m s LYS 62 CO 0.75 -0.53 1.67 -1.25 -0.76 0.00 0.00 175.35 175.24 1x4m s PRO 63 N 1.13 3.54 -0.21 -1.68 0.04 -1.22 -0.97 135.00 135.63 1x4m s PRO 63 Ca -0.07 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 1x4m s PRO 63 Cb -0.19 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 1x4m s PRO 63 CO -0.06 -1.61 0.42 -1.17 0.04 0.00 0.00 177.00 174.61 1x4m s LEU 64 N 6.06 4.14 -0.17 -3.56 2.96 0.13 -0.80 118.68 127.44 1x4m s LEU 64 Ca 0.74 0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 55.02 1x4m s LEU 64 Cb -0.22 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1x4m s LEU 64 CO 0.32 -0.10 0.34 -0.60 -1.32 0.00 0.00 176.35 174.99 1x4m s ARG 65 N 1.43 4.24 -0.34 1.98 3.52 0.53 -1.13 118.95 129.18 1x4m s ARG 65 Ca 0.19 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1x4m s ARG 65 Cb -0.15 -3.46 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 1x4m s ARG 65 CO 0.08 0.14 0.05 0.42 -0.81 0.00 0.00 175.30 175.18 1x4m s ILE 66 N 0.76 2.42 0.23 4.11 1.01 0.14 -1.19 121.20 128.66 1x4m s ILE 66 Ca 0.18 -2.18 0.01 0.00 0.00 0.00 0.00 60.65 58.66 1x4m s ILE 66 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1x4m s ILE 66 CO 0.06 -0.52 0.40 0.42 0.00 0.00 0.00 174.94 175.30 1x4m s THR 67 N 0.97 5.22 -4.89 2.92 -4.23 -0.65 -0.18 115.64 114.80 1x4m s THR 67 Ca 0.07 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1x4m s THR 67 Cb -0.20 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1x4m s THR 67 CO -0.07 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1x4m n GLY 68 N -0.97 0.98 3.54 3.99 0.00 0.98 -1.07 105.19 112.64 1x4m n GLY 68 Ca -0.06 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.60 1x4m n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x4m n ASP 69 N 2.39 0.56 0.21 1.61 2.03 -1.26 -0.46 116.55 121.62 1x4m n ASP 69 Ca 0.00 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.58 1x4m n ASP 69 Cb 0.00 -1.21 0.61 0.00 -0.72 0.00 0.00 41.12 39.79 1x4m n ASP 69 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x4m h PRO 70 N 1.61 0.00 0.00 -0.67 0.13 -1.89 0.33 132.00 131.52 1x4m h PRO 70 Ca -0.38 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.57 1x4m h PRO 70 Cb 1.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 1x4m h PRO 70 CO 0.58 0.00 -1.68 0.98 -0.23 0.00 0.00 178.00 177.65 1x4m n TYR 71 N -2.69 0.65 -0.12 1.56 4.19 -1.26 -4.26 117.16 115.23 1x4m n TYR 71 Ca 0.01 0.21 -0.25 0.00 3.31 0.00 0.00 57.90 61.18 1x4m n TYR 71 Cb 0.26 -0.98 -0.11 0.00 0.49 0.00 0.00 39.34 39.01 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 -2.76 0.58 -0.32 2.98 5.02 -1.06 -4.14 118.16 118.46 1x4m n LYS 72 Ca -0.13 0.43 0.30 0.00 -2.02 0.00 0.00 58.31 56.90 1x4m n LYS 72 Cb 0.85 -1.63 0.56 0.00 -0.02 0.00 0.00 35.03 34.79 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m h VAL 73 N -0.99 0.01 -0.60 -0.18 2.07 -0.56 1.37 116.25 117.36 1x4m h VAL 73 Ca -0.51 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1x4m h VAL 73 Cb 1.45 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1x4m h VAL 73 CO -0.31 0.00 0.01 1.56 0.02 0.00 0.00 177.57 178.85 1x4m h GLN 74 N 0.01 1.06 0.30 1.57 1.08 -1.76 -2.39 115.11 114.98 1x4m h GLN 74 Ca 0.83 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.68 1x4m h GLN 74 Cb 2.15 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 1x4m h GLN 74 CO -0.78 1.03 -0.14 1.96 -0.95 0.00 0.00 178.83 179.95 1x4m h GLN 75 N 0.96 -0.39 -0.40 1.46 1.08 0.16 -3.19 115.11 114.79 1x4m h GLN 75 Ca 0.17 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.48 1x4m h GLN 75 Cb 0.55 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.99 1x4m h GLN 75 CO 0.03 -0.12 -0.12 0.00 -0.95 0.00 0.00 178.83 177.66 1x4m h ALA 76 N -0.00 0.23 -1.00 3.87 0.00 -1.21 0.99 119.26 122.14 1x4m h ALA 76 Ca -0.04 0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.31 1x4m h ALA 76 Cb 0.45 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1x4m h ALA 76 CO 0.07 -0.48 1.07 -0.22 0.00 0.00 0.00 179.25 179.69 1x4m h LYS 77 N -0.03 0.00 0.12 0.00 3.64 -1.41 1.62 116.57 120.51 1x4m h LYS 77 Ca 0.20 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.27 1x4m h LYS 77 Cb 0.33 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1x4m h LYS 77 CO -0.43 0.00 -1.50 0.93 -2.27 0.00 0.00 179.45 176.17 1x4m h GLU 78 N 0.00 0.26 -0.30 1.90 5.08 -0.86 -2.90 114.58 117.76 1x4m h GLU 78 Ca 0.47 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1x4m h GLU 78 Cb 2.61 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 32.01 1x4m h GLU 78 CO -0.00 1.13 0.17 0.52 -1.00 0.00 0.00 179.01 179.82 1x4m h MET 79 N 0.07 0.42 -0.02 2.33 2.86 0.25 -0.53 114.93 120.31 1x4m h MET 79 Ca -0.23 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1x4m h MET 79 Cb 2.01 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.59 1x4m h MET 79 CO 0.17 0.35 -0.01 0.28 1.06 0.00 0.00 176.91 178.76 1x4m h VAL 80 N 0.37 1.36 -0.94 -2.22 2.07 -1.55 -2.31 116.25 113.03 1x4m h VAL 80 Ca 0.11 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.68 1x4m h VAL 80 Cb 0.05 2.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 1x4m h VAL 80 CO -0.02 0.28 0.57 -0.07 0.02 0.00 0.00 177.57 178.35 1x4m h LEU 81 N -0.40 0.80 -1.12 2.57 3.38 -1.46 0.18 115.31 119.25 1x4m h LEU 81 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1x4m h LEU 81 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1x4m h LEU 81 CO 0.00 0.41 -0.22 -0.08 0.09 0.00 0.00 178.44 178.65 1x4m h GLU 82 N 0.88 0.00 -0.25 1.13 4.22 -1.06 -2.70 114.58 116.79 1x4m h GLU 82 Ca 0.48 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.76 1x4m h GLU 82 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1x4m h GLU 82 CO -0.29 0.22 -0.49 1.25 -2.18 0.00 0.00 179.01 177.52 1x4m h LEU 83 N 0.00 0.75 0.00 1.64 7.12 -0.08 -2.91 115.31 121.84 1x4m h LEU 83 Ca -0.00 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.63 1x4m h LEU 83 Cb 0.74 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1x4m h LEU 83 CO 0.03 1.12 -0.16 2.30 -0.13 0.00 0.00 178.44 181.59 1x4m n ILE 84 N -4.00 0.31 -0.76 4.05 -5.35 -0.90 -3.85 119.36 108.85 1x4m n ILE 84 Ca -0.03 -0.16 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 1x4m n ILE 84 Cb 0.58 -0.39 0.02 0.00 -1.74 0.00 0.00 39.64 38.12 1x4m n ILE 84 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1x4m n ARG 85 N -1.92 1.53 -3.92 6.28 1.74 -1.03 -4.81 116.66 114.52 1x4m n ARG 85 Ca 0.06 -1.03 -0.29 0.00 -0.77 0.00 0.00 57.85 55.81 1x4m n ARG 85 Cb 0.39 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.36 1x4m n ARG 85 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x4m n ASP 86 N 0.74 -0.36 -3.86 0.55 9.92 -1.25 -4.82 116.55 117.48 1x4m n ASP 86 Ca 0.20 -1.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.10 1x4m n ASP 86 Cb 0.55 -1.26 -0.04 0.00 -0.64 0.00 0.00 41.12 39.73 1x4m n ASP 86 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1x4m n GLN 87 N -3.57 3.30 -0.30 -1.24 7.27 -1.21 -4.90 117.38 116.73 1x4m n GLN 87 Ca -0.08 -4.57 0.11 0.00 0.07 0.00 0.00 57.00 52.53 1x4m n GLN 87 Cb 0.45 -2.40 0.28 0.00 2.41 0.00 0.00 30.24 30.98 1x4m n GLN 87 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1x4m h GLY 88 N 5.22 1.47 -6.48 1.69 0.00 -1.87 -3.45 103.07 99.64 1x4m h GLY 88 Ca 0.19 -0.19 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 1x4m h GLY 88 CO 1.03 -0.19 -0.69 -1.26 0.00 0.00 0.00 176.54 175.43 1x4m n SER 89 N -4.99 0.63 -4.53 0.19 2.88 -1.26 -4.77 113.62 101.78 1x4m n SER 89 Ca 0.20 -0.92 -0.39 0.00 -1.33 0.00 0.00 58.87 56.44 1x4m n SER 89 Cb 0.58 -1.14 0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1x4m n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4m n GLY 90 N -2.11 -0.96 3.71 0.46 0.00 -1.26 -4.89 105.19 100.15 1x4m n GLY 90 Ca -0.23 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1x4m n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 91 N -2.20 4.33 -0.29 1.61 0.04 -1.26 -5.00 135.00 132.22 1x4m s PRO 91 Ca 0.69 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.60 1x4m s PRO 91 Cb -0.47 -3.28 0.18 0.00 0.04 0.00 0.00 34.50 30.97 1x4m s PRO 91 CO 0.53 -0.42 1.15 -1.54 0.04 0.00 0.00 177.00 176.76 1x4m s SER 92 N 1.14 -0.24 -1.71 6.66 1.04 -1.26 -4.97 113.70 114.36 1x4m s SER 92 Ca 0.64 0.39 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 1x4m s SER 92 Cb -0.36 1.07 0.13 0.00 0.10 0.00 0.00 66.02 66.96 1x4m s SER 92 CO 0.30 -0.06 0.47 -1.54 0.98 0.00 0.00 173.24 173.39 1x4m n SER 93 N 3.27 -1.29 0.00 7.02 3.41 -1.26 -5.27 113.62 119.51 1x4m n SER 93 Ca -0.17 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1x4m n SER 93 Cb 0.57 -2.03 0.00 0.00 -0.26 0.00 0.00 64.21 62.49 1x4m n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49