#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6g s GLY 23 N 0.00 0.83 0.29 0.44 0.00 -1.26 -5.10 107.32 102.52 3b6g s GLY 23 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.38 3b6g s GLY 23 CO 0.00 -1.44 0.00 0.28 0.00 0.00 0.00 173.10 171.94 3b6g n LYS 24 N 0.06 -3.64 -4.43 2.90 4.01 -1.26 -5.05 118.16 110.74 3b6g n LYS 24 Ca -0.13 2.64 -0.27 0.00 -0.51 0.00 0.00 58.31 60.04 3b6g n LYS 24 Cb 0.60 -2.91 -0.17 0.00 -0.51 0.00 0.00 35.03 32.04 3b6g n LYS 24 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3b6g s LYS 25 N -2.91 2.02 0.00 1.97 3.01 -1.26 -4.97 119.74 117.61 3b6g s LYS 25 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 55.97 54.47 3b6g s LYS 25 Cb 0.00 -1.74 0.00 0.00 -1.01 0.00 0.00 37.83 35.08 3b6g s LYS 25 CO 0.00 -0.06 0.00 -2.13 0.51 0.00 0.00 175.35 173.67 3b6g n ARG 26 N 4.19 0.00 0.00 1.68 0.63 -1.26 -3.60 116.66 118.30 3b6g n ARG 26 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 3b6g n ARG 26 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 3b6g n ARG 26 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3b6g n ARG 27 N 0.13 0.00 -2.16 -0.14 3.00 -1.26 -4.84 116.66 111.39 3b6g n ARG 27 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 3b6g n ARG 27 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 3b6g n ARG 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3b6g s LYS 28 N 0.00 4.35 0.40 -0.14 2.20 -1.24 -4.97 119.74 120.33 3b6g s LYS 28 Ca 0.00 2.12 -0.27 0.00 -0.36 0.00 0.00 55.97 57.46 3b6g s LYS 28 Cb 0.00 -3.18 -0.10 0.00 -1.51 0.00 0.00 37.83 33.03 3b6g s LYS 28 CO 0.00 -0.33 1.38 0.25 -0.36 0.00 0.00 175.35 176.29 3b6g n THR 29 N 2.78 2.30 -2.44 3.43 -2.24 -1.26 -4.93 114.28 111.92 3b6g n THR 29 Ca 0.07 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3b6g n THR 29 Cb 0.42 -1.76 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 3b6g n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b6g s ARG 30 N -2.15 4.45 -1.15 -0.78 1.70 -1.26 -4.96 118.95 114.79 3b6g s ARG 30 Ca 0.57 1.75 -0.07 0.00 -0.47 0.00 0.00 55.73 57.51 3b6g s ARG 30 Cb -0.50 -3.35 0.26 0.00 -0.57 0.00 0.00 34.95 30.79 3b6g s ARG 30 CO 0.61 -0.23 1.53 1.17 -1.08 0.00 0.00 175.30 177.30 3b6g n LYS 31 N 3.84 4.06 -2.13 3.89 3.00 -1.26 -4.99 118.16 124.57 3b6g n LYS 31 Ca 0.08 -4.23 -0.36 0.00 -0.00 0.00 0.00 58.31 53.81 3b6g n LYS 31 Cb 0.47 -2.66 -0.04 0.00 0.00 0.00 0.00 35.03 32.80 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 -1.49 2.73 0.50 1.64 -1.05 -1.26 -4.96 118.70 114.81 3b6g s GLU 32 Ca 0.34 0.14 0.07 0.00 -0.15 0.00 0.00 54.97 55.37 3b6g s GLU 32 Cb 0.03 -4.62 0.09 0.00 -0.44 0.00 0.00 34.13 29.19 3b6g s GLU 32 CO 0.05 -2.82 0.69 -1.13 0.95 0.00 0.00 175.26 172.99 3b6g n SER 33 N 12.48 1.65 -1.37 0.83 3.41 -1.26 -5.02 113.62 124.35 3b6g n SER 33 Ca 0.25 -2.22 0.10 0.00 -0.26 0.00 0.00 58.87 56.74 3b6g n SER 33 Cb 0.50 -0.38 0.32 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.13 1.11 -0.35 7.33 4.02 -1.26 -4.66 117.16 121.22 3b6g n TYR 34 Ca 0.14 -0.54 0.33 0.00 -0.01 0.00 0.00 57.90 57.81 3b6g n TYR 34 Cb 0.49 -0.09 0.60 0.00 -0.02 0.00 0.00 39.34 40.32 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 3.99 2.29 0.14 -0.72 0.00 -1.98 0.48 119.26 123.46 3b6g h ALA 35 Ca 0.00 0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.82 3b6g h ALA 35 Cb 1.13 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3b6g h ALA 35 CO 0.08 -1.04 -1.60 -0.84 0.00 0.00 0.00 179.25 175.85 3b6g h ILE 36 N 0.03 1.09 0.00 0.00 3.07 -1.99 -2.40 117.51 117.30 3b6g h ILE 36 Ca 0.85 -2.71 -0.09 0.00 1.55 0.00 0.00 64.86 64.45 3b6g h ILE 36 Cb 2.32 2.76 -0.01 0.00 -0.27 0.00 0.00 36.82 41.62 3b6g h ILE 36 CO -0.69 0.82 -0.44 1.88 -1.05 0.00 0.00 178.15 178.67 3b6g h TYR 37 N 0.08 0.00 0.26 0.16 -1.99 -1.32 -1.44 116.97 112.72 3b6g h TYR 37 Ca -0.27 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 3b6g h TYR 37 Cb 2.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.78 3b6g h TYR 37 CO 0.07 0.44 -0.13 0.28 -0.00 0.00 0.00 178.16 178.83 3b6g h VAL 38 N 0.00 0.00 -1.04 -2.88 2.07 -0.23 -2.76 116.25 111.41 3b6g h VAL 38 Ca -0.00 -0.11 0.27 0.00 0.82 0.00 0.00 66.70 67.68 3b6g h VAL 38 Cb 0.95 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3b6g h VAL 38 CO 0.06 0.00 0.69 0.22 0.02 0.00 0.00 177.57 178.56 3b6g h TYR 39 N -0.46 0.45 -0.46 1.57 3.20 -1.31 0.66 116.97 120.61 3b6g h TYR 39 Ca -0.04 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 3b6g h TYR 39 Cb 0.27 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3b6g h TYR 39 CO 0.10 0.05 -0.18 0.87 -1.64 0.00 0.00 178.16 177.36 3b6g h LYS 40 N 0.28 0.94 0.00 1.82 1.57 -1.34 -0.89 116.57 118.95 3b6g h LYS 40 Ca 0.56 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3b6g h LYS 40 Cb 1.64 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.91 3b6g h LYS 40 CO -0.20 1.05 -0.06 0.28 -0.57 0.00 0.00 179.45 179.96 3b6g h VAL 41 N 0.78 0.00 0.00 0.50 2.07 0.26 -3.31 116.25 116.56 3b6g h VAL 41 Ca 0.11 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3b6g h VAL 41 Cb 0.75 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3b6g h VAL 41 CO 0.06 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.54 3b6g n LEU 42 N -3.05 0.04 -0.12 2.57 7.94 0.18 -3.68 117.00 120.88 3b6g n LEU 42 Ca 0.04 0.02 0.13 0.00 -1.11 0.00 0.00 56.01 55.09 3b6g n LEU 42 Cb 0.53 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.67 3b6g n LEU 42 CO 0.34 0.00 0.50 0.29 -1.11 0.00 0.00 177.39 177.41 3b6g n LYS 43 N -0.03 0.00 0.20 1.96 4.76 -0.36 0.13 118.16 124.83 3b6g n LYS 43 Ca 0.00 0.39 -0.15 0.00 -2.87 0.00 0.00 58.31 55.69 3b6g n LYS 43 Cb 0.00 -0.96 -0.08 0.00 -1.84 0.00 0.00 35.03 32.15 3b6g n LYS 43 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3b6g h GLN 44 N 0.00 -0.47 0.34 1.97 4.20 -1.67 -2.27 115.11 117.21 3b6g h GLN 44 Ca 0.22 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 3b6g h GLN 44 Cb 1.19 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3b6g h GLN 44 CO -0.00 -0.21 -0.16 -0.39 -0.67 0.00 0.00 178.83 177.39 3b6g h VAL 45 N -0.66 0.68 -3.27 -0.54 -1.51 1.00 -3.41 116.25 108.55 3b6g h VAL 45 Ca -0.05 -0.31 -0.57 0.00 -1.23 0.00 0.00 66.70 64.54 3b6g h VAL 45 Cb 0.47 0.84 -0.40 0.00 -2.13 0.00 0.00 31.29 30.08 3b6g h VAL 45 CO 0.08 0.06 -0.76 -1.00 -1.23 0.00 0.00 177.57 174.72 3b6g s HIS 46 N -5.41 1.70 0.42 5.19 3.76 -1.20 -5.00 115.29 114.76 3b6g s HIS 46 Ca -0.15 -1.57 0.10 0.00 -0.15 0.00 0.00 55.06 53.29 3b6g s HIS 46 Cb 0.03 -1.57 0.94 0.00 1.11 0.00 0.00 32.58 33.10 3b6g s HIS 46 CO 0.60 -0.80 2.03 -1.35 -0.85 0.00 0.00 174.74 174.37 3b6g h PRO 47 N 8.09 0.46 -0.24 8.40 0.11 -1.65 -2.89 132.00 144.30 3b6g h PRO 47 Ca -0.14 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.84 3b6g h PRO 47 Cb 1.05 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 3b6g h PRO 47 CO 0.43 0.31 -0.13 -0.25 -0.21 0.00 0.00 178.00 178.15 3b6g n ASP 48 N -4.48 2.56 -4.41 -2.05 8.00 -1.26 -4.92 116.55 109.99 3b6g n ASP 48 Ca 0.05 -3.60 -0.33 0.00 0.71 0.00 0.00 54.79 51.63 3b6g n ASP 48 Cb 0.18 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 3b6g n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3b6g s THR 49 N -3.14 2.96 0.00 -3.53 2.01 -1.09 -5.13 115.64 107.72 3b6g s THR 49 Ca 0.42 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3b6g s THR 49 Cb 0.38 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.69 3b6g s THR 49 CO 0.00 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3b6g n GLY 50 N 2.95 0.79 0.00 4.40 0.00 -1.26 -4.82 105.19 107.25 3b6g n GLY 50 Ca -0.18 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3b6g n GLY 50 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3b6g n ILE 51 N 0.00 0.00 -1.15 -0.61 3.06 -1.26 -5.05 119.36 114.35 3b6g n ILE 51 Ca 0.00 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 59.95 3b6g n ILE 51 Cb 0.00 0.00 0.24 0.00 0.54 0.00 0.00 39.64 40.42 3b6g n ILE 51 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3b6g n SER 52 N 0.00 -1.82 -0.05 9.51 3.41 -1.26 -4.84 113.62 118.57 3b6g n SER 52 Ca 0.00 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 3b6g n SER 52 Cb 0.00 -1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 62.88 3b6g n SER 52 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3b6g h SER 53 N -2.59 0.27 0.52 4.04 4.64 -2.02 -2.57 113.55 115.83 3b6g h SER 53 Ca -0.41 -0.41 -0.18 0.00 -0.47 0.00 0.00 61.79 60.32 3b6g h SER 53 Cb 1.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3b6g h SER 53 CO 0.27 0.62 -0.77 0.11 -0.87 0.00 0.00 176.83 176.18 3b6g h LYS 54 N -0.09 0.19 0.45 4.77 1.57 -1.95 3.41 116.57 124.94 3b6g h LYS 54 Ca 0.03 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3b6g h LYS 54 Cb 0.51 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3b6g h LYS 54 CO 0.02 0.87 -0.30 0.00 -0.57 0.00 0.00 179.45 179.47 3b6g h ALA 55 N 1.07 -1.10 -0.10 3.86 0.00 -1.93 -3.22 119.26 117.84 3b6g h ALA 55 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3b6g h ALA 55 Cb 1.36 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3b6g h ALA 55 CO 0.12 -1.08 -0.26 1.98 0.00 0.00 0.00 179.25 180.00 3b6g h MET 56 N -0.71 -0.25 0.00 0.00 1.85 -1.33 -3.26 114.93 111.23 3b6g h MET 56 Ca -0.06 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3b6g h MET 56 Cb 0.58 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.67 3b6g h MET 56 CO 0.04 -0.17 0.00 0.45 -0.40 0.00 0.00 176.91 176.84 3b6g n SER 57 N -3.94 0.00 -0.03 1.39 2.88 1.13 0.31 113.62 115.36 3b6g n SER 57 Ca -0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.46 3b6g n SER 57 Cb 0.18 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 3b6g n SER 57 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3b6g n ILE 58 N -0.37 0.36 0.16 2.46 2.08 -1.23 -4.25 119.36 118.57 3b6g n ILE 58 Ca 0.00 -0.12 0.04 0.00 0.56 0.00 0.00 62.75 63.24 3b6g n ILE 58 Cb 0.00 -1.09 0.47 0.00 -0.75 0.00 0.00 39.64 38.27 3b6g n ILE 58 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3b6g h MET 59 N -0.10 0.16 0.20 0.38 2.86 0.47 -2.19 114.93 116.70 3b6g h MET 59 Ca -0.15 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3b6g h MET 59 Cb 1.19 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3b6g h MET 59 CO -0.06 0.25 -0.10 -0.97 1.06 0.00 0.00 176.91 177.10 3b6g h ASN 60 N 0.16 -0.23 0.14 1.22 -1.24 -1.68 -0.75 115.58 113.20 3b6g h ASN 60 Ca 0.03 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.79 3b6g h ASN 60 Cb 0.25 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.36 3b6g h ASN 60 CO 0.01 0.17 0.00 -1.20 -1.29 0.00 0.00 177.43 175.12 3b6g n SER 61 N -5.04 0.00 -0.01 1.15 7.64 -1.14 -0.37 113.62 115.85 3b6g n SER 61 Ca -0.09 -0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.72 3b6g n SER 61 Cb 0.24 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3b6g n SER 61 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3b6g h PHE 62 N 0.00 -0.06 0.00 1.43 3.57 -0.51 -1.27 116.94 120.10 3b6g h PHE 62 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3b6g h PHE 62 Cb 0.07 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3b6g h PHE 62 CO 0.00 -0.03 0.00 0.28 -2.23 0.00 0.00 178.31 176.33 3b6g n VAL 63 N -4.03 0.00 -0.25 1.41 0.31 -0.73 -0.44 118.33 114.60 3b6g n VAL 63 Ca -0.01 1.10 0.12 0.00 -0.01 0.00 0.00 64.34 65.54 3b6g n VAL 63 Cb 0.02 -1.52 0.23 0.00 -0.91 0.00 0.00 33.84 31.67 3b6g n VAL 63 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3b6g n ASN 64 N -2.10 -0.05 -0.02 4.52 3.02 0.50 -0.08 115.26 121.05 3b6g n ASN 64 Ca 0.00 1.21 -0.17 0.00 -0.03 0.00 0.00 54.58 55.59 3b6g n ASN 64 Cb 0.00 -0.46 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 3b6g n ASN 64 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3b6g h ASP 65 N 0.00 0.68 0.40 6.41 3.58 -0.20 -3.08 116.42 124.20 3b6g h ASP 65 Ca 0.45 -0.66 -0.12 0.00 0.42 0.00 0.00 57.03 57.12 3b6g h ASP 65 Cb 0.97 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 3b6g h ASP 65 CO -0.66 1.24 -0.52 0.58 -2.88 0.00 0.00 179.24 177.00 3b6g h VAL 66 N 0.18 1.36 0.00 2.25 2.07 0.23 -3.13 116.25 119.21 3b6g h VAL 66 Ca -0.05 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3b6g h VAL 66 Cb 1.25 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3b6g h VAL 66 CO 0.12 0.52 0.00 0.33 0.02 0.00 0.00 177.57 178.56 3b6g n PHE 67 N -3.93 0.00 -0.22 1.57 -0.00 -0.45 -1.86 117.46 112.57 3b6g n PHE 67 Ca -0.02 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.63 3b6g n PHE 67 Cb 0.55 0.00 0.34 0.00 -0.00 0.00 0.00 39.48 40.36 3b6g n PHE 67 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3b6g n GLU 68 N -0.66 -0.02 -0.01 -4.13 1.02 -1.17 0.10 120.64 115.77 3b6g n GLU 68 Ca 0.00 0.67 -0.17 0.00 -0.02 0.00 0.00 57.16 57.64 3b6g n GLU 68 Cb 0.00 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 3b6g n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3b6g h ARG 69 N 0.00 0.15 0.67 3.49 3.08 -1.47 -2.30 114.38 118.00 3b6g h ARG 69 Ca 0.45 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3b6g h ARG 69 Cb 1.38 0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.52 3b6g h ARG 69 CO -0.29 1.10 -0.32 0.82 -1.07 0.00 0.00 179.97 180.21 3b6g h ILE 70 N -0.66 0.00 0.00 2.04 2.04 0.14 0.13 117.51 121.20 3b6g h ILE 70 Ca -0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3b6g h ILE 70 Cb 1.29 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3b6g h ILE 70 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3b6g n ALA 71 N -2.49 0.00 -0.33 1.87 0.00 -1.02 -1.63 120.51 116.90 3b6g n ALA 71 Ca -0.11 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.58 3b6g n ALA 71 Cb 0.35 0.44 0.49 0.00 0.00 0.00 0.00 19.45 20.73 3b6g n ALA 71 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3b6g h GLY 72 N 0.00 2.06 1.62 0.00 0.00 -1.37 0.26 103.07 105.64 3b6g h GLY 72 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3b6g h GLY 72 CO 0.00 -0.56 -0.49 0.83 0.00 0.00 0.00 176.54 176.33 3b6g h GLU 73 N 0.24 0.41 -0.19 4.80 4.39 -0.01 -2.49 114.58 121.72 3b6g h GLU 73 Ca 0.75 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 60.08 3b6g h GLU 73 Cb 1.76 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 3b6g h GLU 73 CO -0.65 0.81 -0.39 0.00 -1.16 0.00 0.00 179.01 177.61 3b6g h ALA 74 N 1.15 0.31 -0.98 3.43 0.00 0.33 -2.16 119.26 121.34 3b6g h ALA 74 Ca 0.02 -0.45 0.30 0.00 0.00 0.00 0.00 54.91 54.78 3b6g h ALA 74 Cb 0.97 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.54 3b6g h ALA 74 CO 0.08 0.40 0.17 1.03 0.00 0.00 0.00 179.25 180.93 3b6g h SER 75 N 0.28 -0.23 -0.12 0.00 0.87 -0.65 0.47 113.55 114.17 3b6g h SER 75 Ca 0.01 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3b6g h SER 75 Cb 0.99 0.41 -0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3b6g h SER 75 CO 0.09 -0.35 -0.04 0.03 -0.53 0.00 0.00 176.83 176.03 3b6g h ARG 76 N 0.03 0.23 -0.44 2.24 3.08 -1.30 -2.84 114.38 115.38 3b6g h ARG 76 Ca 0.65 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.69 3b6g h ARG 76 Cb 1.45 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.42 3b6g h ARG 76 CO -0.85 0.55 0.03 -0.07 -1.07 0.00 0.00 179.97 178.55 3b6g h LEU 77 N -0.10 -0.13 -0.34 3.04 3.38 -0.34 -0.73 115.31 120.09 3b6g h LEU 77 Ca 0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3b6g h LEU 77 Cb 0.47 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3b6g h LEU 77 CO 0.01 -0.03 0.23 0.00 0.09 0.00 0.00 178.44 178.74 3b6g h ALA 78 N 1.37 0.44 0.00 1.53 0.00 -1.07 -2.32 119.26 119.21 3b6g h ALA 78 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3b6g h ALA 78 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3b6g h ALA 78 CO -0.34 -0.09 0.00 0.72 0.00 0.00 0.00 179.25 179.53 3b6g n HIS 79 N -4.84 0.61 0.12 0.00 8.25 -0.86 -0.60 115.22 117.91 3b6g n HIS 79 Ca -0.01 0.24 0.08 0.00 -0.26 0.00 0.00 57.72 57.78 3b6g n HIS 79 Cb 0.03 -0.89 0.25 0.00 1.12 0.00 0.00 29.99 30.50 3b6g n HIS 79 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3b6g n TYR 80 N -2.06 0.89 -1.07 4.41 0.53 -0.34 -4.08 117.16 115.45 3b6g n TYR 80 Ca 0.02 -0.40 0.00 0.00 -1.02 0.00 0.00 57.90 56.50 3b6g n TYR 80 Cb 0.20 -0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 3b6g n TYR 80 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3b6g n ASN 81 N 1.00 0.00 -0.77 7.72 3.02 0.24 -5.01 115.26 121.46 3b6g n ASN 81 Ca 0.19 -1.00 -0.10 0.00 -0.03 0.00 0.00 54.58 53.64 3b6g n ASN 81 Cb 0.56 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.00 -1.69 -2.57 3.52 4.01 0.22 -4.95 118.16 116.70 3b6g n LYS 82 Ca 0.00 0.85 -0.43 0.00 -0.51 0.00 0.00 58.31 58.22 3b6g n LYS 82 Cb 0.34 -5.26 -0.02 0.00 -0.51 0.00 0.00 35.03 29.58 3b6g n LYS 82 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3b6g s ARG 83 N -2.83 4.30 -0.03 1.97 1.81 -0.20 -4.91 118.95 119.05 3b6g s ARG 83 Ca 0.00 1.50 0.10 0.00 -1.72 0.00 0.00 55.73 55.61 3b6g s ARG 83 Cb 0.00 -3.64 0.34 0.00 -0.45 0.00 0.00 34.95 31.20 3b6g s ARG 83 CO 0.00 -0.56 1.22 -1.13 -0.68 0.00 0.00 175.30 174.15 3b6g n SER 84 N 5.96 2.29 -3.88 0.23 3.41 -1.26 -4.32 113.62 116.06 3b6g n SER 84 Ca 0.12 -2.13 -0.11 0.00 -0.26 0.00 0.00 58.87 56.49 3b6g n SER 84 Cb 0.46 -0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.61 0.03 -0.33 6.66 2.01 -1.26 -5.13 115.64 116.00 3b6g s THR 85 Ca 0.25 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 3b6g s THR 85 Cb 0.15 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.52 3b6g s THR 85 CO 0.14 -0.12 0.21 -0.63 -0.69 0.00 0.00 174.62 173.53 3b6g s ILE 86 N -0.34 5.02 0.59 1.82 1.01 -1.26 -4.89 121.20 123.15 3b6g s ILE 86 Ca -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3b6g s ILE 86 Cb -0.03 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.89 3b6g s ILE 86 CO -0.00 -0.00 0.85 0.42 0.00 0.00 0.00 174.94 176.20 3b6g s THR 87 N 1.68 2.77 -0.59 2.92 -4.23 -1.26 -4.95 115.64 111.97 3b6g s THR 87 Ca 0.05 -0.47 0.11 0.00 -1.18 0.00 0.00 61.69 60.20 3b6g s THR 87 Cb -0.17 -3.09 0.11 0.00 1.34 0.00 0.00 72.50 70.69 3b6g s THR 87 CO 0.09 -0.07 1.33 -1.54 -0.54 0.00 0.00 174.62 173.89 3b6g n SER 88 N -2.51 0.28 0.06 3.99 3.41 -1.26 -1.00 113.62 116.60 3b6g n SER 88 Ca 0.07 0.63 -0.10 0.00 -0.26 0.00 0.00 58.87 59.21 3b6g n SER 88 Cb 0.60 -0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 63.75 3b6g n SER 88 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3b6g h ARG 89 N 0.00 0.08 -0.06 4.33 2.43 -1.98 -1.99 114.38 117.18 3b6g h ARG 89 Ca 0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3b6g h ARG 89 Cb 0.00 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3b6g h ARG 89 CO 0.00 1.00 -0.10 0.93 -1.51 0.00 0.00 179.97 180.29 3b6g h GLU 90 N 0.02 0.17 -0.82 0.20 3.07 -1.44 -1.52 114.58 114.27 3b6g h GLU 90 Ca -0.09 -0.11 0.17 0.00 -0.50 0.00 0.00 59.36 58.83 3b6g h GLU 90 Cb 1.86 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 29.68 3b6g h GLU 90 CO 0.14 0.67 0.35 0.82 -1.40 0.00 0.00 179.01 179.60 3b6g h ILE 91 N -0.31 0.62 0.27 3.13 1.08 -1.53 0.36 117.51 121.12 3b6g h ILE 91 Ca 0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3b6g h ILE 91 Cb 0.66 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3b6g h ILE 91 CO 0.02 0.09 -0.13 -0.61 -0.69 0.00 0.00 178.15 176.83 3b6g h GLN 92 N 0.47 -0.35 -0.93 2.37 4.15 -1.34 0.61 115.11 120.10 3b6g h GLN 92 Ca 0.47 0.02 0.10 0.00 0.77 0.00 0.00 58.65 60.01 3b6g h GLN 92 Cb 0.76 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.46 3b6g h GLN 92 CO -0.43 -0.16 0.60 1.15 -1.93 0.00 0.00 178.83 178.05 3b6g h THR 93 N -0.45 0.96 0.65 2.39 2.02 -0.14 0.27 112.91 118.61 3b6g h THR 93 Ca -0.04 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3b6g h THR 93 Cb 0.34 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3b6g h THR 93 CO 0.06 0.17 -0.31 0.00 0.37 0.00 0.00 175.52 175.81 3b6g h ALA 94 N 1.54 -1.19 -0.89 6.16 0.00 -0.10 -0.97 119.26 123.81 3b6g h ALA 94 Ca 0.44 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.38 3b6g h ALA 94 Cb 0.42 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 3b6g h ALA 94 CO -0.20 -1.13 -0.01 0.28 0.00 0.00 0.00 179.25 178.20 3b6g h VAL 95 N -0.91 0.16 0.00 0.00 2.07 -0.10 1.06 116.25 118.53 3b6g h VAL 95 Ca -0.09 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3b6g h VAL 95 Cb 0.67 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3b6g h VAL 95 CO 0.15 0.01 -0.22 0.03 0.02 0.00 0.00 177.57 177.56 3b6g h ARG 96 N 0.06 0.00 0.00 1.57 3.08 -0.38 -0.20 114.38 118.51 3b6g h ARG 96 Ca 0.51 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.40 3b6g h ARG 96 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3b6g h ARG 96 CO -0.82 0.22 -0.84 -0.07 -1.07 0.00 0.00 179.97 177.39 3b6g h LEU 97 N 0.00 0.00 -0.60 3.04 3.38 0.10 -3.42 115.31 117.82 3b6g h LEU 97 Ca -0.00 -0.67 -0.14 0.00 0.09 0.00 0.00 57.88 57.16 3b6g h LEU 97 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3b6g h LEU 97 CO 0.03 1.33 -0.40 0.25 0.09 0.00 0.00 178.44 179.73 3b6g h LEU 98 N -1.00 0.70 -9.95 1.67 5.85 0.10 -3.44 115.31 109.25 3b6g h LEU 98 Ca -0.23 -0.32 -0.54 0.00 0.84 0.00 0.00 57.88 57.63 3b6g h LEU 98 Cb 1.20 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3b6g h LEU 98 CO -0.14 1.02 -0.10 -0.76 -0.34 0.00 0.00 178.44 178.12 3b6g s LEU 99 N -8.61 4.20 0.93 2.25 1.43 -0.09 -5.05 118.68 113.73 3b6g s LEU 99 Ca -0.08 0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3b6g s LEU 99 Cb 0.12 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.87 3b6g s LEU 99 CO 0.84 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 176.31 3b6g s PRO 100 N -2.64 1.00 0.00 1.29 0.04 -1.26 -4.75 135.00 128.68 3b6g s PRO 100 Ca 0.46 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3b6g s PRO 100 Cb -0.12 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3b6g s PRO 100 CO 0.20 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3b6g n GLY 101 N -1.18 0.00 0.39 0.56 0.00 -1.26 -1.12 105.19 102.58 3b6g n GLY 101 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.27 3b6g n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3b6g h GLU 102 N 0.00 0.18 0.00 1.61 4.39 -2.01 0.75 114.58 119.49 3b6g h GLU 102 Ca 0.00 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 3b6g h GLU 102 Cb 0.00 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3b6g h GLU 102 CO 0.00 0.12 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.71 3b6g h LEU 103 N 0.19 0.00 0.28 1.33 3.38 -1.93 -3.22 115.31 115.33 3b6g h LEU 103 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3b6g h LEU 103 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3b6g h LEU 103 CO -0.06 0.19 -0.13 0.00 0.09 0.00 0.00 178.44 178.53 3b6g h ALA 104 N 1.81 -0.68 -0.57 1.53 0.00 0.21 -3.12 119.26 118.44 3b6g h ALA 104 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3b6g h ALA 104 Cb 0.34 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3b6g h ALA 104 CO 0.02 -0.65 -0.37 0.87 0.00 0.00 0.00 179.25 179.12 3b6g h LYS 105 N -0.57 -0.04 -0.97 0.00 1.57 -1.57 0.18 116.57 115.18 3b6g h LYS 105 Ca -0.04 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 3b6g h LYS 105 Cb 0.28 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 3b6g h LYS 105 CO 0.06 -0.03 0.61 0.45 -0.57 0.00 0.00 179.45 179.98 3b6g h HIS 106 N -0.04 1.06 0.03 -1.35 3.86 -1.72 0.61 115.15 117.60 3b6g h HIS 106 Ca 0.09 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3b6g h HIS 106 Cb 0.28 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3b6g h HIS 106 CO -0.94 0.43 -0.02 0.00 0.86 0.00 0.00 177.93 178.26 3b6g h ALA 107 N 1.55 -0.04 -0.26 2.45 0.00 -1.11 0.19 119.26 122.04 3b6g h ALA 107 Ca 0.47 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.30 3b6g h ALA 107 Cb 0.51 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3b6g h ALA 107 CO -0.24 -0.40 -0.53 0.28 0.00 0.00 0.00 179.25 178.37 3b6g h VAL 108 N -0.30 0.02 0.18 0.00 2.07 0.77 0.55 116.25 119.55 3b6g h VAL 108 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3b6g h VAL 108 Cb 0.28 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3b6g h VAL 108 CO 0.01 0.00 -0.23 -1.28 0.02 0.00 0.00 177.57 176.08 3b6g h SER 109 N -0.48 -0.64 -0.78 0.57 0.87 -0.98 -1.03 113.55 111.08 3b6g h SER 109 Ca 0.06 0.07 0.21 0.00 -1.23 0.00 0.00 61.79 60.90 3b6g h SER 109 Cb 0.64 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 3b6g h SER 109 CO -0.51 -0.33 0.55 -0.33 -0.53 0.00 0.00 176.83 175.67 3b6g h GLU 110 N -0.47 0.11 0.39 2.24 4.39 -0.08 0.11 114.58 121.26 3b6g h GLU 110 Ca 0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3b6g h GLU 110 Cb 0.46 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3b6g h GLU 110 CO -0.09 0.08 -0.18 0.78 -1.16 0.00 0.00 179.01 178.43 3b6g h GLY 111 N 0.12 -0.54 0.10 -3.84 0.00 0.10 -3.11 103.07 95.89 3b6g h GLY 111 Ca 0.38 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.97 3b6g h GLY 111 CO -0.05 -0.20 -0.28 -0.84 0.00 0.00 0.00 176.54 175.17 3b6g h THR 112 N -1.10 0.33 -0.95 4.70 2.02 -0.58 0.99 112.91 118.32 3b6g h THR 112 Ca -0.05 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.48 3b6g h THR 112 Cb 0.45 0.33 -0.17 0.00 -1.74 0.00 0.00 68.15 67.01 3b6g h THR 112 CO 0.09 0.00 0.36 1.17 0.37 0.00 0.00 175.52 177.51 3b6g n LYS 113 N -5.40 -0.06 0.01 6.66 4.81 0.31 0.97 118.16 125.47 3b6g n LYS 113 Ca -0.01 1.34 -0.13 0.00 -0.87 0.00 0.00 58.31 58.63 3b6g n LYS 113 Cb 0.31 -2.32 -0.02 0.00 0.02 0.00 0.00 35.03 33.03 3b6g n LYS 113 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3b6g h ALA 114 N 1.89 0.47 0.60 3.14 0.00 -0.75 -2.67 119.26 121.94 3b6g h ALA 114 Ca 0.73 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3b6g h ALA 114 Cb 1.84 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.59 3b6g h ALA 114 CO -0.78 0.72 -0.29 0.28 0.00 0.00 0.00 179.25 179.19 3b6g h VAL 115 N 0.42 0.05 -0.59 0.00 2.07 0.13 -2.76 116.25 115.57 3b6g h VAL 115 Ca -0.04 -0.41 0.12 0.00 0.82 0.00 0.00 66.70 67.19 3b6g h VAL 115 Cb 1.34 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 31.07 3b6g h VAL 115 CO 0.14 0.01 -0.15 0.41 0.02 0.00 0.00 177.57 178.00 3b6g n THR 116 N -5.31 -0.25 0.17 2.57 -1.04 0.20 0.11 114.28 110.73 3b6g n THR 116 Ca -0.10 1.35 0.03 0.00 -2.04 0.00 0.00 64.05 63.29 3b6g n THR 116 Cb 0.32 -1.87 0.29 0.00 -1.82 0.00 0.00 70.33 67.25 3b6g n THR 116 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3b6g h LYS 117 N 0.00 0.00 0.00 -2.82 3.64 -1.44 -2.81 116.57 113.14 3b6g h LYS 117 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3b6g h LYS 117 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3b6g h LYS 117 CO -0.61 0.45 -0.74 0.98 -2.27 0.00 0.00 179.45 177.26 3b6g n TYR 118 N -3.67 0.11 -1.67 1.91 9.36 0.30 -2.80 117.16 120.71 3b6g n TYR 118 Ca -0.01 0.03 -0.22 0.00 3.32 0.00 0.00 57.90 61.03 3b6g n TYR 118 Cb 0.53 -0.29 0.09 0.00 -0.63 0.00 0.00 39.34 39.05 3b6g n TYR 118 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3b6g n THR 119 N -1.67 2.85 -0.49 2.97 -2.24 0.10 -4.40 114.28 111.40 3b6g n THR 119 Ca 0.04 -3.43 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 3b6g n THR 119 Cb 0.37 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 3b6g n THR 119 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3b6g n SER 120 N -0.89 0.00 -4.93 3.42 3.41 -1.08 -4.95 113.62 108.61 3b6g n SER 120 Ca 0.46 -0.22 -0.26 0.00 -0.26 0.00 0.00 58.87 58.59 3b6g n SER 120 Cb 0.92 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 3b6g n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b6g s ALA 121 N 0.00 3.63 0.00 7.33 0.00 -1.12 -5.07 121.76 126.53 3b6g s ALA 121 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3b6g s ALA 121 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3b6g s ALA 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.76 177.39