#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5x h THR 8 N 0.00 1.28 -0.48 2.46 1.03 -2.05 -2.04 112.91 113.11 3l5x h THR 8 Ca 0.00 -1.98 -0.03 0.00 -0.01 0.00 0.00 66.41 64.39 3l5x h THR 8 Cb 0.00 2.00 -0.02 0.00 -1.07 0.00 0.00 68.15 69.06 3l5x h THR 8 CO 0.00 0.63 0.17 0.00 -0.01 0.00 0.00 175.52 176.31 3l5x h ALA 9 N 0.54 0.62 0.07 0.00 0.00 -2.02 -2.48 119.26 115.99 3l5x h ALA 9 Ca -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3l5x h ALA 9 Cb 1.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3l5x h ALA 9 CO 0.16 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.88 3l5x h LEU 10 N 0.63 -0.08 -0.32 0.00 5.85 -2.00 -1.50 115.31 117.90 3l5x h LEU 10 Ca 0.16 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3l5x h LEU 10 Cb 0.23 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3l5x h LEU 10 CO -0.01 0.03 -0.14 -0.09 -0.34 0.00 0.00 178.44 177.89 3l5x h ARG 11 N -0.18 -0.09 -0.92 1.25 2.43 -1.38 0.30 114.38 115.78 3l5x h ARG 11 Ca -0.01 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3l5x h ARG 11 Cb 0.15 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3l5x h ARG 11 CO 0.02 -0.06 0.61 0.93 -1.51 0.00 0.00 179.97 179.96 3l5x h GLU 12 N -0.09 1.19 -0.39 0.20 5.08 -1.33 0.60 114.58 119.84 3l5x h GLU 12 Ca 0.16 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3l5x h GLU 12 Cb 0.34 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3l5x h GLU 12 CO -0.38 0.79 -0.35 1.25 -1.00 0.00 0.00 179.01 179.33 3l5x h LEU 13 N 1.23 0.98 -0.41 1.33 5.85 -0.41 -1.41 115.31 122.47 3l5x h LEU 13 Ca 0.34 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3l5x h LEU 13 Cb -0.12 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.58 3l5x h LEU 13 CO -0.08 1.23 0.06 0.40 -0.34 0.00 0.00 178.44 179.71 3l5x h ILE 14 N 0.74 0.76 -0.62 4.05 2.04 -0.36 -0.69 117.51 123.44 3l5x h ILE 14 Ca 0.07 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3l5x h ILE 14 Cb 0.94 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3l5x h ILE 14 CO 0.09 0.03 0.08 -0.33 0.00 0.00 0.00 178.15 178.03 3l5x h GLU 15 N 0.19 1.03 -0.16 2.37 5.08 -0.68 -0.22 114.58 122.19 3l5x h GLU 15 Ca 0.20 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3l5x h GLU 15 Cb 0.25 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3l5x h GLU 15 CO -0.28 0.97 0.11 0.93 -1.00 0.00 0.00 179.01 179.74 3l5x h GLU 16 N 0.94 0.21 -0.87 2.33 4.39 -1.03 0.89 114.58 121.44 3l5x h GLU 16 Ca 0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3l5x h GLU 16 Cb 0.45 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3l5x h GLU 16 CO 0.02 0.14 0.55 -0.07 -1.16 0.00 0.00 179.01 178.49 3l5x h LEU 17 N 0.22 1.03 -0.52 1.33 3.38 -0.90 -0.99 115.31 118.86 3l5x h LEU 17 Ca 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3l5x h LEU 17 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3l5x h LEU 17 CO -0.01 0.77 0.33 0.58 0.09 0.00 0.00 178.44 180.20 3l5x h VAL 18 N 1.19 1.10 -0.54 1.22 2.07 -0.80 -2.24 116.25 118.25 3l5x h VAL 18 Ca 0.32 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3l5x h VAL 18 Cb -0.09 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 3l5x h VAL 18 CO -0.06 0.12 0.25 -1.13 0.02 0.00 0.00 177.57 176.76 3l5x h ASN 19 N 0.67 0.32 0.16 0.57 -0.73 -0.12 -2.21 115.58 114.24 3l5x h ASN 19 Ca 0.20 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.41 3l5x h ASN 19 Cb -0.04 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.55 3l5x h ASN 19 CO -0.06 0.21 -0.16 2.30 -0.37 0.00 0.00 177.43 179.35 3l5x n ILE 20 N -4.92 0.00 0.17 2.57 -5.35 -0.44 -4.01 119.36 107.38 3l5x n ILE 20 Ca 0.06 -0.16 0.02 0.00 -0.27 0.00 0.00 62.75 62.40 3l5x n ILE 20 Cb 0.18 0.38 -0.00 0.00 -1.74 0.00 0.00 39.64 38.46 3l5x n ILE 20 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3l5x n THR 21 N -0.42 0.00 0.12 7.28 -2.24 -0.85 -4.78 114.28 113.39 3l5x n THR 21 Ca 0.15 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 3l5x n THR 21 Cb 0.34 1.04 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3l5x n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3l5x n GLN 22 N -0.51 1.47 -2.71 -0.78 3.00 -0.85 -5.06 117.38 111.94 3l5x n GLN 22 Ca 0.01 -1.12 -0.42 0.00 -0.01 0.00 0.00 57.00 55.47 3l5x n GLN 22 Cb 0.08 -1.44 -0.03 0.00 0.00 0.00 0.00 30.24 28.85 3l5x n GLN 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3l5x s PRO 27 N -1.23 3.53 0.15 -1.09 0.04 -1.26 -5.10 135.00 130.04 3l5x s PRO 27 Ca 0.21 -1.27 -0.31 0.00 0.04 0.00 0.00 61.00 59.67 3l5x s PRO 27 Cb 0.18 -5.04 -0.11 0.00 0.04 0.00 0.00 34.50 29.57 3l5x s PRO 27 CO 0.04 -2.02 1.81 -0.11 0.04 0.00 0.00 177.00 176.76 3l5x n LEU 28 N 8.00 4.04 -4.00 -3.56 7.94 -1.26 -3.10 117.00 125.05 3l5x n LEU 28 Ca 0.25 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.74 3l5x n LEU 28 Cb 0.50 -1.56 0.02 0.00 0.53 0.00 0.00 43.42 42.91 3l5x n LEU 28 CO 0.61 0.18 -0.17 0.00 -1.11 0.00 0.00 177.39 176.90 3l5x s ASN 30 N -3.43 6.45 0.00 0.00 3.84 -1.18 -1.63 114.94 119.00 3l5x s ASN 30 Ca 0.41 2.67 0.00 0.00 0.21 0.00 0.00 52.86 56.15 3l5x s ASN 30 Cb -0.22 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 3l5x s ASN 30 CO 0.95 -1.04 0.00 0.61 -2.79 0.00 0.00 177.10 174.83 3l5x n GLY 31 N 4.47 2.90 3.70 1.21 0.00 -1.26 -5.06 105.19 111.15 3l5x n GLY 31 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3l5x n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3l5x s SER 32 N -0.28 7.07 0.02 1.61 0.01 -0.65 -5.02 113.70 116.46 3l5x s SER 32 Ca 0.00 1.91 0.07 0.00 1.31 0.00 0.00 55.95 59.24 3l5x s SER 32 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 3l5x s SER 32 CO 0.00 -0.52 -0.18 -0.04 0.41 0.00 0.00 173.24 172.91 3l5x s MET 33 N 1.63 2.14 0.23 12.44 -1.94 -1.26 -1.57 119.30 130.97 3l5x s MET 33 Ca 0.57 -0.93 0.03 0.00 -1.71 0.00 0.00 55.69 53.65 3l5x s MET 33 Cb -0.27 -2.20 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 3l5x s MET 33 CO 0.26 0.56 0.02 0.14 -0.01 0.00 0.00 175.02 175.99 3l5x s VAL 34 N -0.86 0.84 0.13 -6.03 -7.23 0.68 -4.88 120.40 103.06 3l5x s VAL 34 Ca 0.14 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 57.98 3l5x s VAL 34 Cb -0.10 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3l5x s VAL 34 CO 0.04 -0.27 1.45 0.26 -0.31 0.00 0.00 175.10 176.27 3l5x s TRP 35 N -3.55 3.18 0.63 2.82 0.52 -1.26 0.06 118.94 121.34 3l5x s TRP 35 Ca 0.30 0.84 -0.18 0.00 0.02 0.00 0.00 56.10 57.08 3l5x s TRP 35 Cb 0.06 -3.77 -0.02 0.00 -1.15 0.00 0.00 33.47 28.60 3l5x s TRP 35 CO 0.09 -2.74 1.23 -1.12 0.02 0.00 0.00 176.95 174.43 3l5x s SER 36 N 1.11 4.92 0.05 2.95 0.01 -0.56 -4.85 113.70 117.33 3l5x s SER 36 Ca 0.66 2.43 0.08 0.00 1.31 0.00 0.00 55.95 60.44 3l5x s SER 36 Cb -0.39 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.21 3l5x s SER 36 CO 0.31 -1.78 -0.23 -0.63 0.41 0.00 0.00 173.24 171.32 3l5x s ILE 37 N -1.61 1.83 -1.43 1.44 1.09 -1.26 -4.90 121.20 116.35 3l5x s ILE 37 Ca 0.78 -1.29 -0.08 0.00 -1.10 0.00 0.00 60.65 58.97 3l5x s ILE 37 Cb -0.32 -1.59 0.05 0.00 -1.06 0.00 0.00 42.46 39.54 3l5x s ILE 37 CO 0.36 0.24 2.53 -3.20 -0.10 0.00 0.00 174.94 174.78 3l5x n ASN 38 N 1.77 7.80 -3.06 3.58 5.15 -1.26 -4.96 115.26 124.28 3l5x n ASN 38 Ca -0.17 -2.92 -0.38 0.00 -0.60 0.00 0.00 54.58 50.51 3l5x n ASN 38 Cb 0.53 -1.46 -0.09 0.00 -0.53 0.00 0.00 39.78 38.23 3l5x n ASN 38 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3l5x n LEU 39 N 2.81 0.42 -4.00 1.20 4.77 -1.26 -4.94 117.00 116.01 3l5x n LEU 39 Ca 0.66 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.91 3l5x n LEU 39 Cb 0.26 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 3l5x n LEU 39 CO 0.77 -0.53 -0.18 0.28 -1.33 0.00 0.00 177.39 176.40 3l5x s THR 40 N 4.95 0.13 0.18 -5.08 -1.32 -1.26 -5.12 115.64 108.12 3l5x s THR 40 Ca 0.89 -1.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 3l5x s THR 40 Cb -1.00 -1.66 -0.17 0.00 -1.51 0.00 0.00 72.50 68.16 3l5x s THR 40 CO 0.43 -0.60 0.75 0.00 -2.21 0.00 0.00 174.62 172.99 3l5x n ALA 41 N -0.07 -2.40 -0.37 11.08 0.00 -1.26 -2.92 120.51 124.56 3l5x n ALA 41 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3l5x n ALA 41 Cb 0.63 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3l5x n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l5x n GLY 42 N 1.81 2.13 1.81 0.00 0.00 -1.26 -4.93 105.19 104.76 3l5x n GLY 42 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 3l5x n GLY 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3l5x n MET 43 N -2.00 0.93 -0.19 1.61 2.00 -1.15 -4.25 117.12 114.08 3l5x n MET 43 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 57.70 57.37 3l5x n MET 43 Cb 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 33.22 31.86 3l5x n MET 43 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 3l5x h TYR 44 N 2.53 1.15 -0.19 2.03 -1.99 -1.90 -2.43 116.97 116.17 3l5x h TYR 44 Ca 0.04 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 3l5x h TYR 44 Cb 0.82 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 3l5x h TYR 44 CO 0.71 1.06 0.08 0.00 -0.00 0.00 0.00 178.16 180.01 3l5x h ALA 46 N 0.92 0.87 -0.75 0.00 0.00 -1.84 0.66 119.26 119.13 3l5x h ALA 46 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3l5x h ALA 46 Cb 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3l5x h ALA 46 CO -0.01 0.28 0.48 0.00 0.00 0.00 0.00 179.25 180.01 3l5x h ALA 47 N 1.26 0.97 -0.28 0.00 0.00 -1.34 -1.58 119.26 118.29 3l5x h ALA 47 Ca 0.25 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 3l5x h ALA 47 Cb -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3l5x h ALA 47 CO -0.06 0.30 -0.43 1.25 0.00 0.00 0.00 179.25 180.31 3l5x h LEU 48 N 0.96 0.86 -1.56 0.00 5.85 -1.04 -0.99 115.31 119.39 3l5x h LEU 48 Ca 0.29 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.63 3l5x h LEU 48 Cb -0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3l5x h LEU 48 CO -0.09 1.21 0.50 -0.33 -0.34 0.00 0.00 178.44 179.38 3l5x h GLU 49 N 0.53 0.44 0.15 1.25 5.08 -0.46 0.22 114.58 121.80 3l5x h GLU 49 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3l5x h GLU 49 Cb 1.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3l5x h GLU 49 CO 0.10 0.29 -0.07 1.03 -1.00 0.00 0.00 179.01 179.35 3l5x h SER 50 N 0.45 -0.17 0.61 1.42 0.87 -1.12 -3.38 113.55 112.22 3l5x h SER 50 Ca 0.36 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3l5x h SER 50 Cb 0.78 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3l5x h SER 50 CO -0.12 0.39 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.38 3l5x h LEU 51 N -0.99 0.00 -2.15 2.23 3.38 -0.80 -2.89 115.31 114.10 3l5x h LEU 51 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3l5x h LEU 51 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3l5x h LEU 51 CO 0.03 0.12 0.00 -0.29 0.09 0.00 0.00 178.44 178.40 3l5x h ILE 52 N 0.00 0.00 -0.00 1.22 -0.00 -0.75 -2.46 117.51 115.52 3l5x h ILE 52 Ca -0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 64.86 64.65 3l5x h ILE 52 Cb 0.46 1.16 0.00 0.00 -0.00 0.00 0.00 36.82 38.44 3l5x h ILE 52 CO 0.02 0.00 -0.01 0.59 -0.00 0.00 0.00 178.15 178.75 3l5x n ASN 53 N -2.97 0.19 -4.69 2.19 3.02 -1.09 -4.68 115.26 107.22 3l5x n ASN 53 Ca -0.01 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.18 3l5x n ASN 53 Cb 0.17 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 3l5x n ASN 53 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3l5x s VAL 54 N -2.08 4.93 -0.10 2.41 1.01 -0.93 -4.97 120.40 120.67 3l5x s VAL 54 Ca 0.44 1.63 0.06 0.00 0.00 0.00 0.00 61.98 64.11 3l5x s VAL 54 Cb 0.22 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 3l5x s VAL 54 CO 0.38 0.11 -0.01 -1.54 0.00 0.00 0.00 175.10 174.04 3l5x n SER 55 N 4.63 2.82 -1.30 3.32 3.41 -1.26 -4.75 113.62 120.50 3l5x n SER 55 Ca 0.03 -0.02 -0.06 0.00 -0.26 0.00 0.00 58.87 58.56 3l5x n SER 55 Cb 0.50 0.42 0.20 0.00 -0.26 0.00 0.00 64.21 65.07 3l5x n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3l5x n GLY 56 N 2.60 4.76 2.72 5.00 0.00 -1.26 -4.93 105.19 114.08 3l5x n GLY 56 Ca -0.17 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 3l5x n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l5x h SER 58 N 8.11 0.00 0.29 0.00 4.64 -1.98 -3.17 113.55 121.44 3l5x h SER 58 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3l5x h SER 58 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3l5x h SER 58 CO 0.46 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 3l5x h ALA 59 N 1.79 1.00 -0.16 5.18 0.00 -2.03 -2.32 119.26 122.72 3l5x h ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3l5x h ALA 59 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3l5x h ALA 59 CO 0.03 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.72 3l5x n ILE 60 N -2.51 0.51 -0.23 0.00 -5.35 -1.20 -4.67 119.36 105.91 3l5x n ILE 60 Ca -0.01 -0.75 -0.05 0.00 -0.27 0.00 0.00 62.75 61.67 3l5x n ILE 60 Cb 0.12 0.85 0.10 0.00 -1.74 0.00 0.00 39.64 38.97 3l5x n ILE 60 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3l5x h GLU 61 N 1.83 1.07 -0.26 6.28 5.08 -1.55 -1.20 114.58 125.84 3l5x h GLU 61 Ca 0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3l5x h GLU 61 Cb 0.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3l5x h GLU 61 CO 0.00 0.91 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.63 3l5x h LYS 62 N 1.03 0.50 -0.68 2.33 3.64 -1.83 -1.63 116.57 119.92 3l5x h LYS 62 Ca 0.23 -0.19 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3l5x h LYS 62 Cb 0.29 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 3l5x h LYS 62 CO -0.01 0.72 0.29 1.15 -2.27 0.00 0.00 179.45 179.33 3l5x h THR 63 N 0.24 0.76 -0.14 1.00 2.02 -1.80 0.25 112.91 115.25 3l5x h THR 63 Ca 0.06 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.09 3l5x h THR 63 Cb 0.54 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3l5x h THR 63 CO 0.03 0.09 0.04 1.56 0.37 0.00 0.00 175.52 177.60 3l5x h GLN 64 N 0.48 0.10 -0.39 6.66 4.20 -0.95 0.16 115.11 125.38 3l5x h GLN 64 Ca 0.35 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 3l5x h GLN 64 Cb 0.45 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3l5x h GLN 64 CO -0.32 0.07 0.23 0.00 -0.67 0.00 0.00 178.83 178.14 3l5x h ARG 65 N 0.10 0.52 -0.38 1.46 3.08 -0.55 -2.28 114.38 116.34 3l5x h ARG 65 Ca 0.06 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3l5x h ARG 65 Cb 0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3l5x h ARG 65 CO -0.07 0.39 0.21 0.52 -1.07 0.00 0.00 179.97 179.96 3l5x h MET 66 N 0.51 0.42 -0.93 0.04 2.86 -0.32 -1.80 114.93 115.71 3l5x h MET 66 Ca 0.14 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 3l5x h MET 66 Cb 0.00 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.50 3l5x h MET 66 CO -0.03 0.28 0.60 -0.07 1.06 0.00 0.00 176.91 178.76 3l5x h LEU 67 N 0.44 0.90 -1.72 1.22 3.38 -0.50 -2.41 115.31 116.62 3l5x h LEU 67 Ca 0.15 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3l5x h LEU 67 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3l5x h LEU 67 CO -0.08 0.55 0.23 0.77 0.09 0.00 0.00 178.44 180.00 3l5x h SER 68 N 1.01 0.32 -0.23 -0.43 4.64 -0.73 -0.08 113.55 118.06 3l5x h SER 68 Ca 0.42 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.80 3l5x h SER 68 Cb 0.29 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3l5x h SER 68 CO -0.18 0.23 0.17 1.23 -0.87 0.00 0.00 176.83 177.41 3l5x h GLY 69 N 0.38 0.00 0.78 -0.77 0.00 -1.31 -2.73 103.07 99.42 3l5x h GLY 69 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3l5x h GLY 69 CO -0.03 0.00 -0.63 0.69 0.00 0.00 0.00 176.54 176.57 3l5x n PHE 70 N -4.40 0.03 -3.94 5.60 3.01 -0.06 -4.83 117.46 112.87 3l5x n PHE 70 Ca 0.02 0.01 -0.35 0.00 1.01 0.00 0.00 57.45 58.14 3l5x n PHE 70 Cb 0.32 -0.22 -0.13 0.00 -0.01 0.00 0.00 39.48 39.43 3l5x n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3l5x n PRO 72 N 4.65 0.11 -4.40 0.00 -0.04 -1.26 -4.72 135.00 129.33 3l5x n PRO 72 Ca -0.17 0.46 -0.24 0.00 -0.04 0.00 0.00 63.50 63.50 3l5x n PRO 72 Cb 0.51 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 3l5x n PRO 72 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3l5x s HIS 73 N -3.26 2.44 0.21 0.54 -3.43 -1.26 -5.11 115.29 105.42 3l5x s HIS 73 Ca 0.02 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 53.69 3l5x s HIS 73 Cb 0.07 -1.09 -0.09 0.00 -1.43 0.00 0.00 32.58 30.04 3l5x s HIS 73 CO 0.25 0.65 1.35 0.21 -2.00 0.00 0.00 174.74 175.19 3l5x s LYS 74 N -3.41 4.35 -0.14 -0.38 2.20 -1.26 -5.02 119.74 116.08 3l5x s LYS 74 Ca 0.29 2.12 0.01 0.00 -0.36 0.00 0.00 55.97 58.03 3l5x s LYS 74 Cb -0.06 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 3l5x s LYS 74 CO 0.16 -0.30 -0.16 0.08 -0.36 0.00 0.00 175.35 174.77 3l5x s VAL 75 N 0.10 2.69 0.02 4.02 1.01 -1.26 -5.11 120.40 121.87 3l5x s VAL 75 Ca 0.58 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3l5x s VAL 75 Cb -0.38 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3l5x s VAL 75 CO 0.39 0.52 -0.20 -0.44 0.00 0.00 0.00 175.10 175.38 3l5x s SER 76 N 0.62 2.38 0.42 3.32 0.01 -1.26 -5.08 113.70 114.11 3l5x s SER 76 Ca -0.09 -0.47 -0.25 0.00 1.31 0.00 0.00 55.95 56.46 3l5x s SER 76 Cb -0.16 -0.22 -0.10 0.00 0.21 0.00 0.00 66.02 65.75 3l5x s SER 76 CO 0.03 0.18 1.14 0.00 0.41 0.00 0.00 173.24 175.00 3l5x n ALA 77 N 2.09 0.70 0.00 1.44 0.00 -1.26 -2.07 120.51 121.41 3l5x n ALA 77 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3l5x n ALA 77 Cb 0.53 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3l5x n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l5x n GLY 78 N 1.00 2.86 3.63 0.00 0.00 -1.26 -5.01 105.19 106.42 3l5x n GLY 78 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3l5x n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3l5x s GLN 79 N -0.24 3.40 0.08 1.61 -0.21 -0.88 -5.11 119.66 118.31 3l5x s GLN 79 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 55.36 55.02 3l5x s GLN 79 Cb 0.00 -2.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.05 3l5x s GLN 79 CO 0.00 0.49 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.47 3l5x s PHE 80 N -0.28 1.18 0.36 0.91 0.40 -1.26 -4.66 117.98 114.63 3l5x s PHE 80 Ca 0.06 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 3l5x s PHE 80 Cb -0.12 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.75 3l5x s PHE 80 CO 0.02 0.05 0.00 0.45 0.70 0.00 0.00 175.22 176.44 3l5x n SER 81 N 1.16 -2.72 0.15 1.36 2.88 -1.26 -4.94 113.62 110.24 3l5x n SER 81 Ca -0.20 0.68 -0.00 0.00 -1.33 0.00 0.00 58.87 58.02 3l5x n SER 81 Cb 0.55 2.63 0.20 0.00 -0.75 0.00 0.00 64.21 66.84 3l5x n SER 81 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3l5x h SER 82 N 0.00 0.00 -2.74 -3.46 0.87 -1.96 -3.39 113.55 102.88 3l5x h SER 82 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 3l5x h SER 82 Cb 0.00 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 61.79 3l5x h SER 82 CO 0.00 0.58 0.41 -0.22 -0.53 0.00 0.00 176.83 177.06 3l5x s LEU 83 N -7.59 4.89 0.10 2.23 2.96 -1.26 -4.71 118.68 115.30 3l5x s LEU 83 Ca -0.01 -1.32 0.13 0.00 -0.22 0.00 0.00 54.13 52.71 3l5x s LEU 83 Cb 0.13 -2.37 -0.13 0.00 0.50 0.00 0.00 46.19 44.32 3l5x s LEU 83 CO 0.75 -1.26 1.04 0.45 -1.32 0.00 0.00 176.35 176.01 3l5x h HIS 84 N 9.30 0.00 -3.35 5.38 3.86 -2.00 -3.45 115.15 124.90 3l5x h HIS 84 Ca -0.23 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.33 3l5x h HIS 84 Cb 1.07 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.29 3l5x h HIS 84 CO 0.94 0.75 -0.73 0.08 0.86 0.00 0.00 177.93 179.83 3l5x s VAL 85 N -2.81 3.34 -0.48 2.45 1.01 -1.26 -5.06 120.40 117.58 3l5x s VAL 85 Ca -0.01 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3l5x s VAL 85 Cb 0.09 -2.42 0.16 0.00 0.00 0.00 0.00 36.38 34.21 3l5x s VAL 85 CO 0.80 0.52 0.35 -0.13 0.00 0.00 0.00 175.10 176.64 3l5x s ARG 86 N 0.28 1.31 0.00 2.72 0.52 -1.26 -4.91 118.95 117.60 3l5x s ARG 86 Ca -0.07 -2.33 0.00 0.00 -0.52 0.00 0.00 55.73 52.81 3l5x s ARG 86 Cb -0.15 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.28 3l5x s ARG 86 CO 0.05 -1.31 0.00 -0.25 0.02 0.00 0.00 175.30 173.80 3l5x n ASP 87 N 2.84 0.00 -4.74 0.23 8.00 -1.26 -5.04 116.55 116.58 3l5x n ASP 87 Ca 0.23 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 3l5x n ASP 87 Cb 0.42 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3l5x n ASP 87 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3l5x s THR 88 N -0.31 3.25 -0.07 -3.53 2.01 -1.26 -4.99 115.64 110.74 3l5x s THR 88 Ca 0.00 1.02 0.01 0.00 0.31 0.00 0.00 61.69 63.03 3l5x s THR 88 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3l5x s THR 88 CO 0.00 0.15 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.24 3l5x s LYS 89 N -0.01 2.75 0.10 4.92 2.20 -1.26 -1.49 119.74 126.95 3l5x s LYS 89 Ca 0.57 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 3l5x s LYS 89 Cb -0.36 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3l5x s LYS 89 CO 0.37 0.62 -0.09 0.96 -0.36 0.00 0.00 175.35 176.86 3l5x s ILE 90 N -0.71 0.84 0.24 5.43 -4.36 0.11 -4.88 121.20 117.87 3l5x s ILE 90 Ca 0.11 -1.71 -0.31 0.00 -0.26 0.00 0.00 60.65 58.47 3l5x s ILE 90 Cb -0.11 -1.43 -0.13 0.00 1.25 0.00 0.00 42.46 42.04 3l5x s ILE 90 CO 0.01 -0.66 1.38 -0.62 0.24 0.00 0.00 174.94 175.29 3l5x n GLU 91 N 0.39 1.96 -0.26 0.37 1.02 -1.26 -0.23 120.64 122.63 3l5x n GLU 91 Ca -0.15 0.70 0.04 0.00 -0.02 0.00 0.00 57.16 57.72 3l5x n GLU 91 Cb 0.59 -2.33 0.12 0.00 -0.02 0.00 0.00 31.44 29.80 3l5x n GLU 91 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3l5x h VAL 92 N 2.98 0.27 -0.57 2.62 2.07 -1.57 -1.40 116.25 120.64 3l5x h VAL 92 Ca -0.45 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3l5x h VAL 92 Cb 1.28 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3l5x h VAL 92 CO 0.74 0.01 0.15 0.00 0.02 0.00 0.00 177.57 178.49 3l5x h ALA 93 N 1.75 0.69 -0.02 1.67 0.00 -1.86 0.96 119.26 122.44 3l5x h ALA 93 Ca 0.39 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 3l5x h ALA 93 Cb 0.65 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3l5x h ALA 93 CO -0.74 -0.27 0.01 0.37 0.00 0.00 0.00 179.25 178.61 3l5x h GLN 94 N 0.30 0.04 -0.38 0.00 4.15 -1.76 -1.43 115.11 116.03 3l5x h GLN 94 Ca 0.29 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.78 3l5x h GLN 94 Cb 0.40 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.00 3l5x h GLN 94 CO -0.35 0.26 -0.33 0.35 -1.93 0.00 0.00 178.83 176.83 3l5x h PHE 95 N -0.19 -0.93 -0.27 3.99 3.04 -0.44 -0.42 116.94 121.73 3l5x h PHE 95 Ca 0.01 0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.92 3l5x h PHE 95 Cb 0.24 0.46 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 3l5x h PHE 95 CO 0.01 -0.39 -0.25 0.28 -2.02 0.00 0.00 178.31 175.94 3l5x h VAL 96 N -0.27 1.27 -0.44 1.41 2.07 -0.80 0.84 116.25 120.32 3l5x h VAL 96 Ca 0.17 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3l5x h VAL 96 Cb 0.54 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3l5x h VAL 96 CO -0.53 0.41 0.10 0.11 0.02 0.00 0.00 177.57 177.68 3l5x h LYS 97 N 0.46 0.72 -0.44 1.57 1.57 -0.93 -0.63 116.57 118.88 3l5x h LYS 97 Ca 0.07 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 3l5x h LYS 97 Cb 0.68 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3l5x h LYS 97 CO 0.05 0.73 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.09 3l5x h ASP 98 N 0.59 0.81 -0.51 0.86 3.32 -0.63 -2.34 116.42 118.51 3l5x h ASP 98 Ca 0.14 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3l5x h ASP 98 Cb 0.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3l5x h ASP 98 CO 0.00 0.95 0.19 0.25 -1.72 0.00 0.00 179.24 178.91 3l5x h LEU 99 N 0.73 0.71 -0.19 1.55 5.85 -0.74 -2.45 115.31 120.77 3l5x h LEU 99 Ca 0.12 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3l5x h LEU 99 Cb 0.62 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3l5x h LEU 99 CO 0.04 0.70 -0.06 0.25 -0.34 0.00 0.00 178.44 179.03 3l5x h LEU 100 N 0.69 -0.21 -1.09 2.25 5.85 -0.84 -0.14 115.31 121.80 3l5x h LEU 100 Ca 0.17 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3l5x h LEU 100 Cb 0.22 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3l5x h LEU 100 CO -0.01 -0.08 0.35 -0.07 -0.34 0.00 0.00 178.44 178.29 3l5x h LEU 101 N -0.02 0.88 -0.52 2.25 3.38 -1.35 0.64 115.31 120.56 3l5x h LEU 101 Ca 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3l5x h LEU 101 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3l5x h LEU 101 CO -0.21 0.74 0.20 -0.74 0.09 0.00 0.00 178.44 178.52 3l5x h HIS 102 N 0.98 0.81 -0.21 1.13 2.76 -1.00 -2.02 115.15 117.61 3l5x h HIS 102 Ca 0.24 -0.07 -0.15 0.00 -2.20 0.00 0.00 60.37 58.19 3l5x h HIS 102 Cb 0.08 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3l5x h HIS 102 CO 0.01 0.68 -0.50 -0.07 -1.30 0.00 0.00 177.93 176.74 3l5x h LEU 103 N 0.71 0.62 -1.12 0.26 4.07 -0.55 -2.13 115.31 117.16 3l5x h LEU 103 Ca 0.17 -0.31 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 3l5x h LEU 103 Cb 0.22 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 3l5x h LEU 103 CO -0.01 1.01 0.22 0.11 -1.08 0.00 0.00 178.44 178.68 3l5x h LYS 104 N 0.44 0.84 -0.27 1.13 1.57 -0.76 -0.75 116.57 118.77 3l5x h LYS 104 Ca 0.02 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3l5x h LYS 104 Cb 1.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3l5x h LYS 104 CO 0.10 0.70 0.06 -0.22 -0.57 0.00 0.00 179.45 179.51 3l5x h LYS 105 N 0.82 0.44 -0.47 3.15 3.64 -1.12 -0.01 116.57 123.02 3l5x h LYS 105 Ca 0.19 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3l5x h LYS 105 Cb 0.18 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 3l5x h LYS 105 CO -0.02 0.54 0.08 -0.07 -2.27 0.00 0.00 179.45 177.72 3l5x h LEU 106 N 0.27 -0.02 -0.42 5.20 3.38 -1.06 0.68 115.31 123.34 3l5x h LEU 106 Ca 0.08 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3l5x h LEU 106 Cb 0.31 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3l5x h LEU 106 CO 0.00 0.02 0.24 0.15 0.09 0.00 0.00 178.44 178.95 3l5x h PHE 107 N 0.21 0.56 -0.36 1.13 3.04 -0.88 -1.44 116.94 119.20 3l5x h PHE 107 Ca 0.23 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.15 3l5x h PHE 107 Cb 0.31 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3l5x h PHE 107 CO -0.23 0.41 0.11 0.00 -2.02 0.00 0.00 178.31 176.59 3l5x h ARG 108 N 0.55 0.52 0.00 1.11 3.08 -0.60 -2.89 114.38 116.15 3l5x h ARG 108 Ca 0.15 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 3l5x h ARG 108 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3l5x h ARG 108 CO -0.03 0.46 -0.61 0.93 -1.07 0.00 0.00 179.97 179.66 3l5x h GLU 109 N 0.52 0.00 -0.46 0.04 5.08 -0.32 -3.47 114.58 115.97 3l5x h GLU 109 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3l5x h GLU 109 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3l5x h GLU 109 CO -0.01 0.61 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 3l5x n GLY 110 N 0.83 0.64 0.00 -3.84 0.00 -0.59 -5.09 105.19 97.14 3l5x n GLY 110 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3l5x n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86