#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6g n LYS 25 N 0.00 1.70 0.00 1.64 -0.00 -1.26 -4.77 118.16 115.47 3b6g n LYS 25 Ca 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 58.31 56.67 3b6g n LYS 25 Cb 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 35.03 33.77 3b6g n LYS 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3b6g n ARG 26 N 0.66 0.00 -0.02 -1.58 0.63 -1.26 -3.21 116.66 111.89 3b6g n ARG 26 Ca 0.10 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 3b6g n ARG 26 Cb 0.37 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 32.23 3b6g n ARG 26 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3b6g n ARG 27 N -0.71 0.93 -2.66 -0.14 5.12 -1.26 -4.38 116.66 113.56 3b6g n ARG 27 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 3b6g n ARG 27 Cb 0.00 -1.03 0.01 0.00 -1.16 0.00 0.00 32.46 30.27 3b6g n ARG 27 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3b6g n LYS 28 N 0.57 4.61 -3.19 5.56 4.81 -1.20 -4.92 118.16 124.41 3b6g n LYS 28 Ca 0.00 -4.63 -0.45 0.00 -0.87 0.00 0.00 58.31 52.36 3b6g n LYS 28 Cb 0.47 -2.39 -0.05 0.00 0.02 0.00 0.00 35.03 33.08 3b6g n LYS 28 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3b6g s THR 29 N -4.47 4.95 -0.15 3.15 2.01 -1.26 -5.02 115.64 114.86 3b6g s THR 29 Ca 0.43 -0.99 -0.34 0.00 0.31 0.00 0.00 61.69 61.11 3b6g s THR 29 Cb 0.24 -4.38 -0.11 0.00 0.01 0.00 0.00 72.50 68.26 3b6g s THR 29 CO -0.16 -0.95 1.98 0.54 -0.69 0.00 0.00 174.62 175.34 3b6g n ARG 30 N 5.97 1.97 -2.50 4.92 1.74 -1.26 -4.90 116.66 122.59 3b6g n ARG 30 Ca -0.10 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 3b6g n ARG 30 Cb 0.43 -2.69 0.01 0.00 -1.02 0.00 0.00 32.46 29.19 3b6g n ARG 30 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3b6g n LYS 31 N 7.17 4.12 -2.07 5.56 3.00 -1.26 -5.02 118.16 129.66 3b6g n LYS 31 Ca 0.27 -3.89 -0.39 0.00 -0.00 0.00 0.00 58.31 54.30 3b6g n LYS 31 Cb 0.30 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.60 3b6g n LYS 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3b6g s GLU 32 N -1.06 3.80 0.00 1.64 -1.05 -1.26 -5.02 118.70 115.75 3b6g s GLU 32 Ca 0.39 2.06 0.00 0.00 -0.15 0.00 0.00 54.97 57.27 3b6g s GLU 32 Cb 0.10 -2.59 0.00 0.00 -0.44 0.00 0.00 34.13 31.20 3b6g s GLU 32 CO 0.02 -0.60 0.00 -1.13 0.95 0.00 0.00 175.26 174.49 3b6g n SER 33 N -0.19 0.00 0.00 0.83 3.41 -1.26 -5.06 113.62 111.35 3b6g n SER 33 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3b6g n SER 33 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3b6g n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3b6g n TYR 34 N 0.00 0.00 -0.30 7.33 4.02 -1.26 -4.90 117.16 122.05 3b6g n TYR 34 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3b6g n TYR 34 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.57 3b6g n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3b6g h ALA 35 N 0.00 1.08 0.00 -0.72 0.00 -1.95 0.85 119.26 118.53 3b6g h ALA 35 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3b6g h ALA 35 Cb 0.12 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3b6g h ALA 35 CO 0.00 -0.48 -0.35 -0.84 0.00 0.00 0.00 179.25 177.58 3b6g h ILE 36 N 0.12 1.19 0.01 0.00 3.07 -2.00 -1.24 117.51 118.65 3b6g h ILE 36 Ca 0.52 -1.22 -0.26 0.00 1.55 0.00 0.00 64.86 65.45 3b6g h ILE 36 Cb 1.02 1.67 -0.04 0.00 -0.27 0.00 0.00 36.82 39.19 3b6g h ILE 36 CO -0.73 0.34 -1.43 1.88 -1.05 0.00 0.00 178.15 177.16 3b6g h TYR 37 N 0.00 0.03 -0.52 0.16 -1.99 -0.31 -3.10 116.97 111.24 3b6g h TYR 37 Ca -0.00 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 3b6g h TYR 37 Cb 0.64 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 3b6g h TYR 37 CO 0.00 1.03 -0.11 0.28 -0.00 0.00 0.00 178.16 179.36 3b6g h VAL 38 N 0.00 1.27 -0.35 -2.88 2.07 0.67 -2.73 116.25 114.29 3b6g h VAL 38 Ca -0.18 -1.26 -0.15 0.00 0.82 0.00 0.00 66.70 65.94 3b6g h VAL 38 Cb 1.92 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3b6g h VAL 38 CO 0.10 0.44 -0.36 0.22 0.02 0.00 0.00 177.57 178.00 3b6g h TYR 39 N 0.87 0.97 0.13 1.57 3.20 -1.35 -0.89 116.97 121.47 3b6g h TYR 39 Ca 0.13 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.75 3b6g h TYR 39 Cb 0.67 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3b6g h TYR 39 CO 0.05 1.05 -0.40 0.87 -1.64 0.00 0.00 178.16 178.09 3b6g h LYS 40 N 0.68 -0.62 0.00 1.82 1.57 -1.45 -2.06 116.57 116.51 3b6g h LYS 40 Ca 0.06 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3b6g h LYS 40 Cb 0.92 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3b6g h LYS 40 CO 0.08 -0.41 -0.35 0.28 -0.57 0.00 0.00 179.45 178.48 3b6g h VAL 41 N -0.64 1.24 -0.72 0.50 2.07 -1.48 -1.84 116.25 115.37 3b6g h VAL 41 Ca 0.02 -1.22 0.13 0.00 0.82 0.00 0.00 66.70 66.46 3b6g h VAL 41 Cb 0.67 1.66 -0.09 0.00 -1.52 0.00 0.00 31.29 32.00 3b6g h VAL 41 CO -0.23 0.35 0.27 0.25 0.02 0.00 0.00 177.57 178.23 3b6g h LEU 42 N 0.00 0.24 -0.16 2.57 5.85 -0.50 -2.89 115.31 120.43 3b6g h LEU 42 Ca -0.00 0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.59 3b6g h LEU 42 Cb 0.63 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.76 3b6g h LEU 42 CO 0.05 0.10 -0.94 0.11 -0.34 0.00 0.00 178.44 177.42 3b6g h LYS 43 N 0.42 0.50 0.00 1.25 1.79 -0.71 -2.01 116.57 117.81 3b6g h LYS 43 Ca 0.39 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3b6g h LYS 43 Cb 0.58 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3b6g h LYS 43 CO -0.39 1.15 0.00 1.04 -1.08 0.00 0.00 179.45 180.17 3b6g n GLN 44 N -3.79 0.14 0.00 3.15 6.02 -1.03 -2.62 117.38 119.25 3b6g n GLN 44 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3b6g n GLN 44 Cb 0.83 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.88 3b6g n GLN 44 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3b6g n VAL 45 N -0.71 0.00 -3.62 5.09 0.24 -1.23 -4.99 118.33 113.11 3b6g n VAL 45 Ca 0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.04 3b6g n VAL 45 Cb 0.01 -0.11 -0.10 0.00 -1.47 0.00 0.00 33.84 32.16 3b6g n VAL 45 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3b6g n HIS 46 N -1.74 1.77 0.03 6.34 8.25 -0.76 -4.99 115.22 124.12 3b6g n HIS 46 Ca 0.00 -3.93 -0.01 0.00 -0.26 0.00 0.00 57.72 53.52 3b6g n HIS 46 Cb 0.00 -0.33 0.27 0.00 1.12 0.00 0.00 29.99 31.04 3b6g n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3b6g h PRO 47 N 5.14 0.45 0.00 -0.41 0.11 -1.70 -2.87 132.00 132.73 3b6g h PRO 47 Ca 0.19 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3b6g h PRO 47 Cb 0.80 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3b6g h PRO 47 CO 0.61 0.59 -0.46 -0.44 -0.21 0.00 0.00 178.00 178.09 3b6g h ASP 48 N 0.41 0.00 -3.39 -2.05 3.32 -1.93 -3.47 116.42 109.31 3b6g h ASP 48 Ca 0.08 -0.09 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 3b6g h ASP 48 Cb 0.50 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3b6g h ASP 48 CO 0.03 0.05 0.06 -0.89 -1.72 0.00 0.00 179.24 176.77 3b6g s THR 49 N -3.20 4.59 0.02 0.35 2.01 -1.08 -5.09 115.64 113.24 3b6g s THR 49 Ca 0.06 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.44 3b6g s THR 49 Cb 0.11 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3b6g s THR 49 CO 0.70 0.48 0.03 0.61 -0.69 0.00 0.00 174.62 175.74 3b6g n GLY 50 N 1.47 1.89 3.25 4.40 0.00 -1.26 -4.90 105.19 110.05 3b6g n GLY 50 Ca -0.07 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 3b6g n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3b6g s ILE 51 N 0.86 -0.49 0.68 -0.61 2.07 -1.26 -5.15 121.20 117.31 3b6g s ILE 51 Ca 0.02 0.16 -0.13 0.00 -1.41 0.00 0.00 60.65 59.29 3b6g s ILE 51 Cb -0.00 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.95 3b6g s ILE 51 CO 0.01 0.07 1.07 -0.94 -1.91 0.00 0.00 174.94 173.24 3b6g s SER 52 N 2.31 5.22 0.33 4.50 1.04 -1.26 -4.85 113.70 121.00 3b6g s SER 52 Ca -0.03 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.20 3b6g s SER 52 Cb -0.11 -2.52 0.59 0.00 0.10 0.00 0.00 66.02 64.08 3b6g s SER 52 CO -0.13 -1.55 1.90 0.28 0.98 0.00 0.00 173.24 174.73 3b6g h SER 53 N -0.41 0.59 0.18 7.02 0.02 -2.02 0.23 113.55 119.17 3b6g h SER 53 Ca -0.45 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 3b6g h SER 53 Cb 1.22 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3b6g h SER 53 CO 0.55 0.58 -0.09 0.11 -1.14 0.00 0.00 176.83 176.84 3b6g h LYS 54 N 0.63 -0.23 0.00 3.45 1.57 -2.00 -0.94 116.57 119.05 3b6g h LYS 54 Ca 0.15 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3b6g h LYS 54 Cb 0.21 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3b6g h LYS 54 CO -0.01 0.04 -0.18 0.00 -0.57 0.00 0.00 179.45 178.73 3b6g h ALA 55 N 0.27 1.65 -0.36 3.86 0.00 -1.91 -2.48 119.26 120.29 3b6g h ALA 55 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3b6g h ALA 55 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3b6g h ALA 55 CO 0.04 0.22 0.09 1.98 0.00 0.00 0.00 179.25 181.59 3b6g h MET 56 N 0.00 0.57 0.04 0.00 1.85 -0.34 -2.53 114.93 114.51 3b6g h MET 56 Ca -0.00 -0.13 0.02 0.00 -0.61 0.00 0.00 59.70 58.97 3b6g h MET 56 Cb 0.33 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.25 3b6g h MET 56 CO 0.02 0.61 -0.16 1.03 -0.40 0.00 0.00 176.91 178.01 3b6g h SER 57 N 0.42 -0.45 -0.86 1.39 0.87 -0.71 0.37 113.55 114.58 3b6g h SER 57 Ca 0.11 0.06 0.15 0.00 -1.23 0.00 0.00 61.79 60.88 3b6g h SER 57 Cb 0.29 0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 62.28 3b6g h SER 57 CO 0.00 -0.22 -0.32 0.40 -0.53 0.00 0.00 176.83 176.16 3b6g h ILE 58 N -0.28 0.08 0.00 2.23 1.08 -1.51 0.71 117.51 119.82 3b6g h ILE 58 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 3b6g h ILE 58 Cb 0.33 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 3b6g h ILE 58 CO -0.12 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.57 3b6g n MET 59 N -5.50 0.08 -0.07 2.37 2.81 -0.07 -0.28 117.12 116.46 3b6g n MET 59 Ca 0.10 0.41 -0.02 0.00 -1.81 0.00 0.00 57.70 56.38 3b6g n MET 59 Cb 0.41 -1.68 -0.16 0.00 -0.71 0.00 0.00 33.22 31.07 3b6g n MET 59 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3b6g n ASN 60 N -1.84 0.00 -0.16 7.83 5.15 0.20 -3.76 115.26 122.69 3b6g n ASN 60 Ca 0.02 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.90 3b6g n ASN 60 Cb 0.13 1.36 -0.00 0.00 -0.53 0.00 0.00 39.78 40.74 3b6g n ASN 60 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3b6g h SER 61 N 0.00 0.75 -0.28 1.20 0.02 0.15 -3.07 113.55 112.32 3b6g h SER 61 Ca -0.35 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.33 3b6g h SER 61 Cb 1.80 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 64.12 3b6g h SER 61 CO 0.02 0.85 0.15 0.15 -1.14 0.00 0.00 176.83 176.86 3b6g h PHE 62 N 0.62 0.27 -0.24 3.45 3.57 -0.81 -1.01 116.94 122.80 3b6g h PHE 62 Ca 0.13 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3b6g h PHE 62 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3b6g h PHE 62 CO 0.03 0.16 -0.20 0.28 -2.23 0.00 0.00 178.31 176.35 3b6g h VAL 63 N 0.31 1.31 -0.81 1.41 2.07 -1.65 -0.29 116.25 118.60 3b6g h VAL 63 Ca 0.11 -1.34 0.09 0.00 0.82 0.00 0.00 66.70 66.39 3b6g h VAL 63 Cb 0.02 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 3b6g h VAL 63 CO -0.07 0.42 0.46 0.78 0.02 0.00 0.00 177.57 179.18 3b6g h ASN 64 N 0.26 0.66 0.87 0.57 2.35 -1.48 0.44 115.58 119.26 3b6g h ASN 64 Ca 0.04 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3b6g h ASN 64 Cb 0.74 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.04 3b6g h ASN 64 CO 0.05 0.38 -0.42 -0.78 -1.65 0.00 0.00 177.43 175.01 3b6g h ASP 65 N 0.78 -0.99 -0.03 5.81 3.58 -0.80 -1.84 116.42 122.93 3b6g h ASP 65 Ca 0.39 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.88 3b6g h ASP 65 Cb 0.35 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 3b6g h ASP 65 CO -0.24 -0.68 0.03 0.58 -2.88 0.00 0.00 179.24 176.05 3b6g h VAL 66 N -1.21 0.66 0.38 2.25 2.07 -0.91 -2.34 116.25 117.14 3b6g h VAL 66 Ca -0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3b6g h VAL 66 Cb 0.89 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3b6g h VAL 66 CO 0.20 0.00 -0.18 0.15 0.02 0.00 0.00 177.57 177.75 3b6g h PHE 67 N 0.00 -0.48 -0.88 1.57 3.57 -0.72 -3.14 116.94 116.86 3b6g h PHE 67 Ca 0.02 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.69 3b6g h PHE 67 Cb 0.08 0.16 -0.11 0.00 2.79 0.00 0.00 35.95 38.87 3b6g h PHE 67 CO 0.00 -0.30 0.44 0.93 -2.23 0.00 0.00 178.31 177.16 3b6g h GLU 68 N -0.68 0.54 0.70 1.11 5.08 -0.83 0.15 114.58 120.64 3b6g h GLU 68 Ca -0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3b6g h GLU 68 Cb 0.39 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3b6g h GLU 68 CO 0.09 0.36 -0.37 0.00 -1.00 0.00 0.00 179.01 178.08 3b6g h ARG 69 N 0.55 -0.95 -0.56 2.33 3.08 -1.55 0.98 114.38 118.26 3b6g h ARG 69 Ca 0.51 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.73 3b6g h ARG 69 Cb 0.84 0.22 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 3b6g h ARG 69 CO -0.43 -0.63 0.12 0.82 -1.07 0.00 0.00 179.97 178.78 3b6g h ILE 70 N -0.99 0.67 -0.03 2.04 2.04 -1.39 0.56 117.51 120.41 3b6g h ILE 70 Ca -0.09 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3b6g h ILE 70 Cb 0.77 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3b6g h ILE 70 CO 0.13 0.05 -0.18 0.00 0.00 0.00 0.00 178.15 178.14 3b6g h ALA 71 N 1.44 -0.20 0.42 1.87 0.00 -0.53 -1.99 119.26 120.27 3b6g h ALA 71 Ca 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3b6g h ALA 71 Cb 0.41 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3b6g h ALA 71 CO -0.37 -0.67 -0.20 0.78 0.00 0.00 0.00 179.25 178.79 3b6g h GLY 72 N -0.28 -0.58 1.53 0.00 0.00 0.21 0.18 103.07 104.12 3b6g h GLY 72 Ca 0.07 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3b6g h GLY 72 CO -0.20 -0.21 0.21 -2.09 0.00 0.00 0.00 176.54 174.26 3b6g h GLU 73 N -0.60 0.00 0.00 4.80 4.57 0.14 0.69 114.58 124.18 3b6g h GLU 73 Ca -0.06 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 3b6g h GLU 73 Cb 0.45 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3b6g h GLU 73 CO 0.09 0.00 -1.61 0.00 -1.18 0.00 0.00 179.01 176.31 3b6g n ALA 74 N -2.08 1.92 0.03 2.92 0.00 -0.76 -3.13 120.51 119.41 3b6g n ALA 74 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 3b6g n ALA 74 Cb 0.30 -0.83 0.26 0.00 0.00 0.00 0.00 19.45 19.17 3b6g n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3b6g h SER 75 N 0.00 0.43 1.24 0.00 0.87 0.34 -2.60 113.55 113.83 3b6g h SER 75 Ca -0.21 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.10 3b6g h SER 75 Cb 1.65 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 3b6g h SER 75 CO 0.04 0.62 -0.79 0.03 -0.53 0.00 0.00 176.83 176.20 3b6g h ARG 76 N 0.40 0.00 -0.06 2.24 3.08 -1.31 -3.35 114.38 115.38 3b6g h ARG 76 Ca 0.07 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 3b6g h ARG 76 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 3b6g h ARG 76 CO 0.03 0.50 -0.87 1.25 -1.07 0.00 0.00 179.97 179.81 3b6g h LEU 77 N 0.00 0.71 0.12 3.04 6.46 -1.42 -2.75 115.31 121.47 3b6g h LEU 77 Ca -0.05 -0.52 0.01 0.00 -0.12 0.00 0.00 57.88 57.21 3b6g h LEU 77 Cb 1.48 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3b6g h LEU 77 CO 0.07 1.30 -0.20 0.00 -0.62 0.00 0.00 178.44 179.00 3b6g h ALA 78 N 0.66 -0.34 0.00 1.25 0.00 -1.63 -3.29 119.26 115.91 3b6g h ALA 78 Ca -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3b6g h ALA 78 Cb 1.50 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3b6g h ALA 78 CO 0.16 -0.73 -0.12 0.45 0.00 0.00 0.00 179.25 179.02 3b6g h HIS 79 N -0.38 0.00 0.00 0.00 3.86 -1.63 -0.27 115.15 116.73 3b6g h HIS 79 Ca 0.02 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 3b6g h HIS 79 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 3b6g h HIS 79 CO -0.19 0.12 -0.51 1.88 0.86 0.00 0.00 177.93 180.10 3b6g h TYR 80 N 0.00 0.00 -0.01 2.45 0.05 -1.57 -3.01 116.97 114.88 3b6g h TYR 80 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3b6g h TYR 80 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3b6g h TYR 80 CO 0.00 0.51 -0.19 0.09 -1.05 0.00 0.00 178.16 177.52 3b6g n ASN 81 N -3.69 1.28 -1.23 3.88 3.02 -0.16 -4.94 115.26 113.43 3b6g n ASN 81 Ca -0.01 -1.14 -0.12 0.00 -0.03 0.00 0.00 54.58 53.28 3b6g n ASN 81 Cb 0.57 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 3b6g n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3b6g n LYS 82 N -0.31 -0.94 -3.48 3.52 5.02 -0.90 -5.03 118.16 116.04 3b6g n LYS 82 Ca 0.14 0.75 -0.19 0.00 -2.02 0.00 0.00 58.31 56.99 3b6g n LYS 82 Cb 0.37 -4.87 -0.01 0.00 -0.02 0.00 0.00 35.03 30.50 3b6g n LYS 82 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3b6g s ARG 83 N -3.96 3.05 0.00 1.97 1.81 -0.91 -5.02 118.95 115.90 3b6g s ARG 83 Ca 0.00 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 3b6g s ARG 83 Cb 0.00 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 3b6g s ARG 83 CO 0.00 0.04 0.00 -1.13 -0.68 0.00 0.00 175.30 173.53 3b6g n SER 84 N -1.63 4.03 -4.63 0.23 3.41 -1.26 -4.20 113.62 109.58 3b6g n SER 84 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3b6g n SER 84 Cb 0.58 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 65.17 3b6g n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3b6g s THR 85 N -1.68 4.77 -1.19 6.66 2.01 -1.26 -4.99 115.64 119.96 3b6g s THR 85 Ca 0.00 1.44 -0.20 0.00 0.31 0.00 0.00 61.69 63.24 3b6g s THR 85 Cb 0.00 -4.18 0.07 0.00 0.01 0.00 0.00 72.50 68.40 3b6g s THR 85 CO 0.00 -0.21 1.61 -0.63 -0.69 0.00 0.00 174.62 174.70 3b6g s ILE 86 N 3.02 4.10 1.21 1.82 1.01 -1.26 -4.97 121.20 126.12 3b6g s ILE 86 Ca 0.36 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.28 3b6g s ILE 86 Cb -0.14 -5.13 0.29 0.00 0.01 0.00 0.00 42.46 37.48 3b6g s ILE 86 CO 0.11 -1.97 1.08 0.42 0.00 0.00 0.00 174.94 174.57 3b6g s THR 87 N 4.35 1.62 0.29 2.92 -4.23 -1.26 -4.93 115.64 114.41 3b6g s THR 87 Ca 0.50 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.25 3b6g s THR 87 Cb 0.02 -2.40 0.23 0.00 1.34 0.00 0.00 72.50 71.69 3b6g s THR 87 CO 0.01 0.00 1.92 0.77 -0.54 0.00 0.00 174.62 176.78 3b6g h SER 88 N -2.62 0.00 0.15 3.99 4.64 -2.02 -3.13 113.55 114.56 3b6g h SER 88 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3b6g h SER 88 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 3b6g h SER 88 CO 0.38 0.22 -0.27 -0.09 -0.87 0.00 0.00 176.83 176.19 3b6g h ARG 89 N 0.00 -0.48 -0.84 4.77 2.43 -1.99 -2.16 114.38 116.11 3b6g h ARG 89 Ca -0.00 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 3b6g h ARG 89 Cb 0.58 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 30.10 3b6g h ARG 89 CO 0.03 -0.32 -0.32 0.39 -1.51 0.00 0.00 179.97 178.24 3b6g n GLU 90 N -5.39 -0.19 -0.20 0.20 4.71 -1.18 -0.28 120.64 118.31 3b6g n GLU 90 Ca -0.07 1.29 -0.04 0.00 -0.01 0.00 0.00 57.16 58.33 3b6g n GLU 90 Cb 0.29 -1.91 0.06 0.00 -1.01 0.00 0.00 31.44 28.88 3b6g n GLU 90 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3b6g h ILE 91 N 0.00 1.02 -0.28 -3.67 1.08 -1.52 0.14 117.51 114.28 3b6g h ILE 91 Ca 0.29 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.59 3b6g h ILE 91 Cb 0.50 0.31 -0.08 0.00 -3.07 0.00 0.00 36.82 34.49 3b6g h ILE 91 CO -0.83 0.12 -0.52 -0.61 -0.69 0.00 0.00 178.15 175.61 3b6g h GLN 92 N 0.65 -0.45 0.15 2.37 4.15 -0.23 0.82 115.11 122.58 3b6g h GLN 92 Ca 0.24 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 3b6g h GLN 92 Cb 0.08 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3b6g h GLN 92 CO -0.13 -0.30 -0.07 1.15 -1.93 0.00 0.00 178.83 177.55 3b6g h THR 93 N -0.47 0.91 -0.97 2.39 2.02 -1.09 0.20 112.91 115.90 3b6g h THR 93 Ca 0.07 -0.27 0.17 0.00 0.77 0.00 0.00 66.41 67.15 3b6g h THR 93 Cb 0.63 1.08 -0.17 0.00 -1.74 0.00 0.00 68.15 67.95 3b6g h THR 93 CO -0.52 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.11 3b6g n ALA 94 N -2.25 0.02 -0.09 6.16 0.00 0.44 0.39 120.51 125.19 3b6g n ALA 94 Ca -0.09 1.00 -0.12 0.00 0.00 0.00 0.00 53.44 54.24 3b6g n ALA 94 Cb 0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 3b6g n ALA 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3b6g h VAL 95 N 0.00 1.29 -0.12 0.00 2.07 -0.43 -2.56 116.25 116.50 3b6g h VAL 95 Ca 0.39 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3b6g h VAL 95 Cb 0.63 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3b6g h VAL 95 CO -0.98 0.36 -0.23 0.03 0.02 0.00 0.00 177.57 176.77 3b6g h ARG 96 N 0.26 -0.28 -0.49 1.57 3.08 0.27 0.27 114.38 119.06 3b6g h ARG 96 Ca 0.06 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.27 3b6g h ARG 96 Cb 0.58 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3b6g h ARG 96 CO 0.03 -0.19 0.36 -0.07 -1.07 0.00 0.00 179.97 179.04 3b6g h LEU 97 N -0.29 0.00 0.05 3.04 3.38 -0.09 -3.30 115.31 118.10 3b6g h LEU 97 Ca 0.10 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.69 3b6g h LEU 97 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3b6g h LEU 97 CO -0.29 0.00 -2.26 -0.11 0.09 0.00 0.00 178.44 175.87 3b6g n LEU 98 N -4.32 2.67 -4.79 1.67 7.94 0.20 -4.98 117.00 115.38 3b6g n LEU 98 Ca 0.09 0.02 -0.36 0.00 -1.11 0.00 0.00 56.01 54.65 3b6g n LEU 98 Cb 0.58 -0.91 -0.07 0.00 0.53 0.00 0.00 43.42 43.54 3b6g n LEU 98 CO 0.36 0.87 -0.11 -0.76 -1.11 0.00 0.00 177.39 176.65 3b6g s LEU 99 N -6.68 4.31 0.17 -1.96 1.43 0.71 -5.05 118.68 111.61 3b6g s LEU 99 Ca -0.28 0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 3b6g s LEU 99 Cb 0.08 -2.20 -0.10 0.00 0.03 0.00 0.00 46.19 44.00 3b6g s LEU 99 CO 0.68 0.25 1.50 -2.84 0.23 0.00 0.00 176.35 176.17 3b6g s PRO 100 N -0.24 4.25 0.00 1.29 0.02 -1.26 -4.46 135.00 134.61 3b6g s PRO 100 Ca 0.14 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3b6g s PRO 100 Cb -0.12 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3b6g s PRO 100 CO 0.03 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3b6g n GLY 101 N 3.32 0.96 0.07 0.52 0.00 -1.26 -1.85 105.19 106.95 3b6g n GLY 101 Ca 0.12 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 3b6g n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3b6g h GLU 102 N 0.00 0.10 0.00 1.61 4.57 -2.01 -3.04 114.58 115.82 3b6g h GLU 102 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3b6g h GLU 102 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3b6g h GLU 102 CO 0.00 0.38 0.31 -0.11 -1.18 0.00 0.00 179.01 178.41 3b6g n LEU 103 N -4.87 0.20 -0.05 1.64 7.94 -0.77 -0.12 117.00 120.97 3b6g n LEU 103 Ca -0.07 0.43 -0.20 0.00 -1.11 0.00 0.00 56.01 55.07 3b6g n LEU 103 Cb 0.19 -0.38 -0.13 0.00 0.53 0.00 0.00 43.42 43.62 3b6g n LEU 103 CO 0.34 -0.50 -1.02 0.00 -1.11 0.00 0.00 177.39 175.10 3b6g n ALA 104 N -1.44 1.12 -0.23 1.96 0.00 -1.04 -3.85 120.51 117.03 3b6g n ALA 104 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 53.44 52.64 3b6g n ALA 104 Cb 0.32 -0.45 0.25 0.00 0.00 0.00 0.00 19.45 19.57 3b6g n ALA 104 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3b6g h LYS 105 N 0.04 0.99 0.59 0.00 3.64 -0.50 -2.44 116.57 118.89 3b6g h LYS 105 Ca -0.48 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 3b6g h LYS 105 Cb 1.99 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 33.59 3b6g h LYS 105 CO 0.02 0.65 -0.28 0.45 -2.27 0.00 0.00 179.45 178.02 3b6g h HIS 106 N 1.02 -0.74 -0.80 1.91 3.86 -1.70 -3.17 115.15 115.53 3b6g h HIS 106 Ca 0.30 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.60 3b6g h HIS 106 Cb -0.04 0.24 -0.12 0.00 1.06 0.00 0.00 27.41 28.55 3b6g h HIS 106 CO -0.00 -0.43 -0.47 0.00 0.86 0.00 0.00 177.93 177.88 3b6g h ALA 107 N -1.10 -0.29 -0.81 2.45 0.00 -1.62 0.11 119.26 118.01 3b6g h ALA 107 Ca -0.08 0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.15 3b6g h ALA 107 Cb 0.64 1.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 3b6g h ALA 107 CO 0.13 -0.83 0.31 0.28 0.00 0.00 0.00 179.25 179.15 3b6g h VAL 108 N -0.12 0.56 0.00 0.00 2.07 -1.54 -1.53 116.25 115.69 3b6g h VAL 108 Ca 0.21 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3b6g h VAL 108 Cb 0.53 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3b6g h VAL 108 CO -0.83 0.07 0.00 -0.24 0.02 0.00 0.00 177.57 176.59 3b6g n SER 109 N -5.05 0.00 -0.27 0.57 2.88 0.32 -1.59 113.62 110.48 3b6g n SER 109 Ca 0.17 1.00 0.33 0.00 -1.33 0.00 0.00 58.87 59.04 3b6g n SER 109 Cb 0.52 -0.50 0.68 0.00 -0.75 0.00 0.00 64.21 64.16 3b6g n SER 109 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3b6g h GLU 110 N 0.00 0.00 0.00 -1.46 4.39 -0.80 0.92 114.58 117.63 3b6g h GLU 110 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3b6g h GLU 110 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3b6g h GLU 110 CO 0.00 0.00 -0.66 0.78 -1.16 0.00 0.00 179.01 177.97 3b6g h GLY 111 N 0.00 0.00 0.75 -3.84 0.00 -1.08 -2.36 103.07 96.54 3b6g h GLY 111 Ca 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.77 3b6g h GLY 111 CO -0.01 0.00 -1.42 2.41 0.00 0.00 0.00 176.54 177.52 3b6g n THR 112 N -2.37 0.77 0.42 4.70 -1.04 0.28 -3.42 114.28 113.63 3b6g n THR 112 Ca 0.02 -0.61 -0.18 0.00 -2.04 0.00 0.00 64.05 61.24 3b6g n THR 112 Cb 0.48 -0.44 -0.09 0.00 -1.82 0.00 0.00 70.33 68.47 3b6g n THR 112 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3b6g h LYS 113 N 0.00 -1.05 -0.29 -2.82 3.64 -0.55 -2.99 116.57 112.51 3b6g h LYS 113 Ca -0.10 0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3b6g h LYS 113 Cb 1.30 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 3b6g h LYS 113 CO 0.02 -0.69 0.05 0.00 -2.27 0.00 0.00 179.45 176.56 3b6g h ALA 114 N -1.16 1.55 -0.56 5.00 0.00 -1.58 -2.62 119.26 119.90 3b6g h ALA 114 Ca -0.11 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3b6g h ALA 114 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3b6g h ALA 114 CO 0.18 0.33 -0.08 0.28 0.00 0.00 0.00 179.25 179.97 3b6g h VAL 115 N 0.42 1.27 -0.10 0.00 2.07 -1.62 -2.31 116.25 115.97 3b6g h VAL 115 Ca 0.10 -1.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 3b6g h VAL 115 Cb 0.19 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3b6g h VAL 115 CO -0.00 0.44 -0.50 0.74 0.02 0.00 0.00 177.57 178.27 3b6g h THR 116 N 0.93 1.34 0.29 2.57 2.02 -1.32 -0.79 112.91 117.95 3b6g h THR 116 Ca 0.15 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 3b6g h THR 116 Cb 0.64 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3b6g h THR 116 CO 0.04 0.52 -0.17 0.50 0.37 0.00 0.00 175.52 176.78 3b6g h LYS 117 N 0.21 -0.42 -0.99 6.66 1.63 -1.37 -2.18 116.57 120.11 3b6g h LYS 117 Ca 0.01 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3b6g h LYS 117 Cb 0.96 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.63 3b6g h LYS 117 CO 0.08 -0.28 0.65 -0.92 -3.45 0.00 0.00 179.45 175.52 3b6g h TYR 118 N -0.44 1.22 -0.16 1.91 3.20 -1.22 -1.81 116.97 119.67 3b6g h TYR 118 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3b6g h TYR 118 Cb 0.36 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3b6g h TYR 118 CO -0.08 0.72 0.05 1.15 -1.64 0.00 0.00 178.16 178.36 3b6g h THR 119 N 1.27 1.07 -2.46 1.81 2.02 -1.00 -2.79 112.91 112.84 3b6g h THR 119 Ca 0.39 -0.24 -0.73 0.00 0.77 0.00 0.00 66.41 66.59 3b6g h THR 119 Cb -0.04 0.90 -0.33 0.00 -1.74 0.00 0.00 68.15 66.95 3b6g h THR 119 CO -0.11 0.09 0.33 -1.20 0.37 0.00 0.00 175.52 175.00 3b6g n SER 120 N -4.46 5.85 -4.21 4.18 7.64 -0.69 -5.01 113.62 116.93 3b6g n SER 120 Ca -0.01 -3.56 -0.12 0.00 1.01 0.00 0.00 58.87 56.19 3b6g n SER 120 Cb 0.12 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.23 3b6g n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b6g s ALA 121 N -3.34 1.18 -1.89 -0.43 0.00 -1.05 -4.88 121.76 111.34 3b6g s ALA 121 Ca 0.39 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3b6g s ALA 121 Cb 0.15 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.15 3b6g s ALA 121 CO -0.03 -0.45 0.47 1.17 0.00 0.00 0.00 175.76 176.92