#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8cho s ASN 2 N 0.00 6.39 0.24 6.12 0.01 -1.26 -4.91 114.94 121.53 8cho s ASN 2 Ca 0.00 -1.41 0.02 0.00 -0.71 0.00 0.00 52.86 50.76 8cho s ASN 2 Cb 0.00 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 8cho s ASN 2 CO 0.00 -1.33 0.40 0.42 -1.51 0.00 0.00 177.10 175.08 8cho s THR 3 N 3.77 5.22 0.44 1.60 -4.23 -1.26 -4.70 115.64 116.48 8cho s THR 3 Ca 0.30 -0.70 0.11 0.00 -1.18 0.00 0.00 61.69 60.22 8cho s THR 3 Cb -0.10 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.21 8cho s THR 3 CO 0.00 -0.32 2.05 -0.65 -0.54 0.00 0.00 174.62 175.17 8cho h PRO 4 N 1.38 0.41 -0.63 3.99 0.11 -1.95 -1.85 132.00 133.47 8cho h PRO 4 Ca -0.50 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 8cho h PRO 4 Cb 1.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 8cho h PRO 4 CO 0.64 0.27 0.19 1.49 -0.21 0.00 0.00 178.00 180.37 8cho h GLU 5 N 0.42 0.97 -0.08 1.05 4.81 -1.96 0.23 114.58 120.02 8cho h GLU 5 Ca 0.16 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 8cho h GLU 5 Cb 0.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.37 8cho h GLU 5 CO -0.04 0.84 -0.24 1.25 -0.73 0.00 0.00 179.01 180.09 8cho h HIS 6 N 0.93 0.39 -0.48 0.92 2.76 -1.72 -1.41 115.15 116.53 8cho h HIS 6 Ca 0.21 -0.16 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 8cho h HIS 6 Cb 0.28 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 8cho h HIS 6 CO 0.02 0.85 0.17 0.52 -1.30 0.00 0.00 177.93 178.19 8cho h MET 7 N -0.18 0.70 -0.23 5.26 2.86 -1.23 -0.54 114.93 121.56 8cho h MET 7 Ca -0.01 -0.11 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 8cho h MET 7 Cb 0.86 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 8cho h MET 7 CO 0.05 0.59 -0.54 1.15 1.06 0.00 0.00 176.91 179.22 8cho h THR 8 N 0.69 1.30 -0.56 2.22 2.02 -0.93 -2.67 112.91 114.98 8cho h THR 8 Ca 0.16 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 8cho h THR 8 Cb 0.18 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 8cho h THR 8 CO -0.01 0.56 0.26 0.00 0.37 0.00 0.00 175.52 176.70 8cho h ALA 9 N 0.86 0.72 -0.66 6.16 0.00 -0.42 -2.51 119.26 123.42 8cho h ALA 9 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 8cho h ALA 9 Cb 1.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 8cho h ALA 9 CO 0.11 0.30 0.35 0.28 0.00 0.00 0.00 179.25 180.29 8cho h VAL 10 N 0.76 1.20 -0.17 0.00 2.07 -1.05 -0.80 116.25 118.26 8cho h VAL 10 Ca 0.19 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 8cho h VAL 10 Cb 0.14 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 8cho h VAL 10 CO -0.02 0.23 -0.37 0.58 0.02 0.00 0.00 177.57 178.00 8cho h VAL 11 N 0.92 1.30 -0.02 2.57 2.07 -1.22 -1.22 116.25 120.64 8cho h VAL 11 Ca 0.23 -1.48 -0.22 0.00 0.82 0.00 0.00 66.70 66.06 8cho h VAL 11 Cb 0.03 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 8cho h VAL 11 CO -0.04 0.45 -0.90 1.56 0.02 0.00 0.00 177.57 178.67 8cho h GLN 12 N 0.31 0.44 -0.20 1.57 4.20 -0.99 -1.85 115.11 118.60 8cho h GLN 12 Ca 0.03 -0.45 -0.14 0.00 0.06 0.00 0.00 58.65 58.16 8cho h GLN 12 Cb 0.81 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 8cho h GLN 12 CO 0.06 1.10 -0.45 0.00 -0.67 0.00 0.00 178.83 178.87 8cho h ARG 13 N 0.26 0.50 -0.03 1.46 3.08 -1.02 -1.98 114.38 116.66 8cho h ARG 13 Ca -0.07 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 8cho h ARG 13 Cb 1.52 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 8cho h ARG 13 CO 0.16 0.85 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.98 8cho h TYR 14 N 0.40 0.06 -0.87 3.04 3.20 -1.16 -1.75 116.97 119.89 8cho h TYR 14 Ca 0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 8cho h TYR 14 Cb 0.95 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 8cho h TYR 14 CO 0.03 0.38 0.53 0.28 -1.64 0.00 0.00 178.16 177.74 8cho h VAL 15 N -0.28 1.24 -0.23 1.81 2.07 -1.34 -2.29 116.25 117.23 8cho h VAL 15 Ca 0.01 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 8cho h VAL 15 Cb 0.36 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 8cho h VAL 15 CO 0.00 0.25 -0.41 0.00 0.02 0.00 0.00 177.57 177.44 8cho h ALA 16 N 1.29 0.87 -0.26 1.67 0.00 -1.32 -2.66 119.26 118.84 8cho h ALA 16 Ca 0.31 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 8cho h ALA 16 Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 8cho h ALA 16 CO -0.06 0.64 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 8cho h ALA 17 N 1.12 1.10 -0.41 0.00 0.00 -1.05 -1.59 119.26 118.43 8cho h ALA 17 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 8cho h ALA 17 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 8cho h ALA 17 CO 0.08 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.07 8cho h LEU 18 N 0.44 0.76 -1.30 0.00 5.85 -1.26 0.94 115.31 120.74 8cho h LEU 18 Ca 0.07 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 8cho h LEU 18 Cb 0.66 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 8cho h LEU 18 CO 0.05 0.92 -0.11 0.78 -0.34 0.00 0.00 178.44 179.75 8cho h ASN 19 N 0.58 0.33 0.73 1.25 2.35 -1.18 -2.70 115.58 116.94 8cho h ASN 19 Ca 0.11 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 8cho h ASN 19 Cb 0.57 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.85 8cho h ASN 19 CO 0.03 0.47 -0.71 0.00 -1.65 0.00 0.00 177.43 175.57 8cho n ALA 20 N -2.48 3.09 -1.99 -0.83 0.00 -0.62 -4.84 120.51 112.83 8cho n ALA 20 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 8cho n ALA 20 Cb 0.28 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 8cho n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8cho n GLY 21 N 1.36 0.22 3.44 0.00 0.00 0.18 -4.96 105.19 105.43 8cho n GLY 21 Ca 0.03 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 8cho n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 8cho s ASP 22 N -2.77 6.71 0.20 1.61 2.15 -0.31 -4.88 116.67 119.38 8cho s ASP 22 Ca 0.00 -2.23 -0.08 0.00 0.43 0.00 0.00 52.55 50.67 8cho s ASP 22 Cb 0.00 -2.39 0.13 0.00 -0.30 0.00 0.00 42.92 40.36 8cho s ASP 22 CO 0.00 -0.98 1.72 0.25 -0.17 0.00 0.00 175.17 175.99 8cho h LEU 23 N 10.12 1.08 -0.81 -1.34 5.85 -1.93 -2.57 115.31 125.71 8cho h LEU 23 Ca 0.18 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 8cho h LEU 23 Cb 1.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 8cho h LEU 23 CO 1.10 1.03 -0.02 0.44 -0.34 0.00 0.00 178.44 180.66 8cho h ASP 24 N 1.07 0.85 0.40 1.25 3.45 -1.98 -2.01 116.42 119.45 8cho h ASP 24 Ca 0.22 -0.23 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 8cho h ASP 24 Cb 0.38 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 8cho h ASP 24 CO 0.00 0.93 -0.28 1.23 -1.57 0.00 0.00 179.24 179.55 8cho h GLY 25 N 0.99 0.00 0.21 2.75 0.00 -1.89 -1.73 103.07 103.40 8cho h GLY 25 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 8cho h GLY 25 CO 0.03 0.00 -0.32 -2.22 0.00 0.00 0.00 176.54 174.03 8cho h ILE 26 N 0.00 1.66 -0.10 2.60 2.04 -1.22 -3.36 117.51 119.14 8cho h ILE 26 Ca -0.00 -2.40 -0.05 0.00 1.00 0.00 0.00 64.86 63.40 8cho h ILE 26 Cb 0.55 3.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 8cho h ILE 26 CO 0.04 0.63 -0.18 0.58 0.00 0.00 0.00 178.15 179.21 8cho h VAL 27 N -0.80 1.18 0.00 1.67 2.07 -1.35 -1.88 116.25 117.14 8cho h VAL 27 Ca -0.06 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.61 8cho h VAL 27 Cb 1.22 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 8cho h VAL 27 CO 0.04 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.88 8cho h ALA 28 N 1.66 1.00 0.00 1.67 0.00 -1.45 -2.61 119.26 119.53 8cho h ALA 28 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 8cho h ALA 28 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 8cho h ALA 28 CO 0.03 0.00 -0.04 -0.07 0.00 0.00 0.00 179.25 179.17 8cho h LEU 29 N 0.00 0.00-10.06 0.00 4.07 -1.47 -3.47 115.31 104.38 8cho h LEU 29 Ca 0.00 -0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 8cho h LEU 29 Cb 0.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 8cho h LEU 29 CO 0.00 0.00 -0.37 -0.36 -1.08 0.00 0.00 178.44 176.63 8cho s PHE 30 N -3.18 3.48 0.51 1.13 0.40 -0.98 -1.71 117.98 117.62 8cho s PHE 30 Ca 0.08 0.28 -0.18 0.00 -0.60 0.00 0.00 56.93 56.50 8cho s PHE 30 Cb 0.07 -1.80 -0.08 0.00 0.51 0.00 0.00 43.02 41.73 8cho s PHE 30 CO 0.65 0.42 1.01 0.00 0.70 0.00 0.00 175.22 178.00 8cho s ALA 31 N -1.83 2.92 -0.20 5.36 0.00 -0.04 -4.76 121.76 123.21 8cho s ALA 31 Ca 0.37 0.42 0.25 0.00 0.00 0.00 0.00 51.96 53.00 8cho s ALA 31 Cb -0.11 -3.20 1.24 0.00 0.00 0.00 0.00 23.12 21.05 8cho s ALA 31 CO 0.29 -0.32 1.76 0.38 0.00 0.00 0.00 175.76 177.88 8cho h ASP 32 N 1.22 0.00 -0.18 0.00 2.03 -1.95 -0.21 116.42 117.33 8cho h ASP 32 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 8cho h ASP 32 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 8cho h ASP 32 CO 0.60 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.91 8cho n ASP 33 N -2.38 2.94 -4.70 4.15 5.75 -1.26 -3.25 116.55 117.79 8cho n ASP 33 Ca -0.00 -2.54 -0.31 0.00 -0.01 0.00 0.00 54.79 51.93 8cho n ASP 33 Cb 0.12 -0.32 0.14 0.00 -1.03 0.00 0.00 41.12 40.03 8cho n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 8cho s ALA 34 N -1.95 1.72 0.09 2.12 0.00 -0.09 -4.56 121.76 119.10 8cho s ALA 34 Ca 0.26 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.83 8cho s ALA 34 Cb 0.20 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 8cho s ALA 34 CO 0.08 -2.45 -0.18 0.95 0.00 0.00 0.00 175.76 174.16 8cho s THR 35 N -2.67 1.47 -0.07 0.00 -4.23 -0.30 -1.88 115.64 107.96 8cho s THR 35 Ca 0.66 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 8cho s THR 35 Cb -0.22 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.25 8cho s THR 35 CO 0.56 -0.16 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.70 8cho s VAL 36 N -1.31 1.00 -0.36 2.29 1.01 -0.55 -0.98 120.40 121.49 8cho s VAL 36 Ca 0.04 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.68 8cho s VAL 36 Cb -0.09 -0.95 0.11 0.00 0.00 0.00 0.00 36.38 35.44 8cho s VAL 36 CO 0.04 0.33 0.10 -0.70 0.00 0.00 0.00 175.10 174.87 8cho s GLU 37 N 0.96 1.30 -0.23 2.72 2.12 -0.03 -0.81 118.70 124.73 8cho s GLU 37 Ca -0.09 -1.75 -0.02 0.00 0.36 0.00 0.00 54.97 53.46 8cho s GLU 37 Cb -0.15 -2.80 0.07 0.00 0.26 0.00 0.00 34.13 31.51 8cho s GLU 37 CO 0.00 -0.99 0.04 0.34 -0.54 0.00 0.00 175.26 174.11 8cho s ASP 38 N 0.91 3.27 0.74 -1.70 -1.08 -1.26 -1.24 116.67 116.31 8cho s ASP 38 Ca 0.12 -1.05 -0.03 0.00 -0.52 0.00 0.00 52.55 51.07 8cho s ASP 38 Cb -0.20 -0.70 0.13 0.00 -1.46 0.00 0.00 42.92 40.69 8cho s ASP 38 CO -0.11 -0.33 1.03 -2.16 0.52 0.00 0.00 175.17 174.12 8cho s PRO 39 N 1.77 1.59 0.45 4.34 0.04 -1.26 -4.95 135.00 136.99 8cho s PRO 39 Ca 0.01 -1.00 -0.25 0.00 0.04 0.00 0.00 61.00 59.81 8cho s PRO 39 Cb -0.17 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 8cho s PRO 39 CO -0.13 -1.54 1.37 0.28 0.04 0.00 0.00 177.00 177.02 8cho n VAL 40 N -2.93 2.83 0.00 -0.36 0.31 0.11 -2.70 118.33 115.58 8cho n VAL 40 Ca 0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 8cho n VAL 40 Cb 0.60 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 8cho n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 8cho n GLY 41 N 0.68 3.10 0.00 2.92 0.00 -1.26 -4.99 105.19 105.64 8cho n GLY 41 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.18 8cho n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 8cho n SER 42 N 0.95 -1.19 -4.75 1.61 3.41 -1.10 -5.01 113.62 107.55 8cho n SER 42 Ca 0.00 -0.35 -0.37 0.00 -0.26 0.00 0.00 58.87 57.89 8cho n SER 42 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 8cho n SER 42 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 8cho s GLU 43 N -2.85 4.19 0.15 4.33 8.01 -1.26 -4.97 118.70 126.30 8cho s GLU 43 Ca 0.00 0.15 -0.30 0.00 0.01 0.00 0.00 54.97 54.82 8cho s GLU 43 Cb 0.00 -3.39 -0.08 0.00 -4.31 0.00 0.00 34.13 26.35 8cho s GLU 43 CO 0.00 0.30 1.28 -1.25 0.01 0.00 0.00 175.26 175.60 8cho s PRO 44 N 0.26 4.41 0.22 0.39 0.04 -1.26 -4.80 135.00 134.26 8cho s PRO 44 Ca 0.18 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 8cho s PRO 44 Cb -0.13 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 8cho s PRO 44 CO 0.05 -0.25 0.98 1.03 0.04 0.00 0.00 177.00 178.85 8cho s ARG 45 N 0.31 4.78 -0.02 4.56 1.81 0.01 -4.85 118.95 125.55 8cho s ARG 45 Ca 0.58 1.55 0.07 0.00 -1.72 0.00 0.00 55.73 56.20 8cho s ARG 45 Cb -0.34 -3.28 -0.02 0.00 -0.45 0.00 0.00 34.95 30.86 8cho s ARG 45 CO 0.35 0.39 -0.21 0.45 -0.68 0.00 0.00 175.30 175.60 8cho s SER 46 N -0.88 2.49 0.00 0.23 0.15 -1.26 -1.48 113.70 112.94 8cho s SER 46 Ca 0.43 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.69 8cho s SER 46 Cb -0.27 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 8cho s SER 46 CO 0.33 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.64 8cho n GLY 47 N 2.55 -1.23 0.12 9.45 0.00 -0.79 -4.28 105.19 111.01 8cho n GLY 47 Ca -0.15 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 8cho n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 8cho h THR 48 N 0.00 0.76 -0.69 2.61 2.02 -1.84 -2.46 112.91 113.31 8cho h THR 48 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 8cho h THR 48 Cb 0.00 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 8cho h THR 48 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 8cho h ALA 49 N 1.23 0.90 -0.36 6.16 0.00 -1.93 -1.08 119.26 124.17 8cho h ALA 49 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 8cho h ALA 49 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 8cho h ALA 49 CO -0.24 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.57 8cho h ALA 50 N 1.13 0.49 -0.56 0.00 0.00 -1.72 -2.62 119.26 115.96 8cho h ALA 50 Ca 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 8cho h ALA 50 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 8cho h ALA 50 CO -0.02 0.21 0.24 0.82 0.00 0.00 0.00 179.25 180.50 8cho h ILE 51 N 0.45 1.22 -0.77 0.00 2.04 -1.33 -1.74 117.51 117.38 8cho h ILE 51 Ca 0.11 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 8cho h ILE 51 Cb 0.39 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 8cho h ILE 51 CO 0.01 0.26 0.44 -0.09 0.00 0.00 0.00 178.15 178.77 8cho h ARG 52 N 0.77 1.06 -0.55 2.37 2.43 -1.12 -2.25 114.38 117.09 8cho h ARG 52 Ca 0.19 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 8cho h ARG 52 Cb 0.18 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 8cho h ARG 52 CO -0.02 0.77 -0.07 0.93 -1.51 0.00 0.00 179.97 180.07 8cho h GLU 53 N 1.06 0.99 0.16 0.20 5.08 -1.28 0.37 114.58 121.17 8cho h GLU 53 Ca 0.27 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 8cho h GLU 53 Cb -0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 8cho h GLU 53 CO -0.05 1.02 -0.20 0.35 -1.00 0.00 0.00 179.01 179.13 8cho h PHE 54 N 0.90 -0.52 0.00 4.33 3.57 -0.96 -0.33 116.94 123.93 8cho h PHE 54 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 8cho h PHE 54 Cb 0.61 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 8cho h PHE 54 CO 0.04 -0.29 -0.29 1.88 -2.23 0.00 0.00 178.31 177.42 8cho h TYR 55 N -0.41 0.00 -0.37 0.41 0.05 -1.31 -0.97 116.97 114.37 8cho h TYR 55 Ca 0.01 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 8cho h TYR 55 Cb 0.40 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 8cho h TYR 55 CO -0.17 0.29 -0.07 0.00 -1.05 0.00 0.00 178.16 177.17 8cho h ALA 56 N 1.71 1.19 -0.10 3.88 0.00 -0.11 -1.13 119.26 124.69 8cho h ALA 56 Ca -0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 8cho h ALA 56 Cb 0.56 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.21 8cho h ALA 56 CO 0.04 0.53 -0.84 -0.91 0.00 0.00 0.00 179.25 178.06 8cho h ASN 57 N 0.58 0.91 -0.54 0.00 2.35 0.01 -3.20 115.58 115.69 8cho h ASN 57 Ca 0.11 -0.67 -0.02 0.00 -0.55 0.00 0.00 56.30 55.18 8cho h ASN 57 Cb 0.47 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 8cho h ASN 57 CO 0.02 1.44 0.29 0.28 -1.65 0.00 0.00 177.43 177.81 8cho h SER 58 N 0.45 0.71 -0.20 5.81 0.02 -0.93 -2.36 113.55 117.05 8cho h SER 58 Ca -0.08 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 8cho h SER 58 Cb 1.48 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 8cho h SER 58 CO 0.17 0.59 0.07 0.18 -1.14 0.00 0.00 176.83 176.71 8cho n LEU 59 N -4.38 2.96 -0.09 5.07 4.77 -0.45 -3.94 117.00 120.94 8cho n LEU 59 Ca 0.05 -1.51 -0.13 0.00 -0.03 0.00 0.00 56.01 54.39 8cho n LEU 59 Cb 0.12 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 8cho n LEU 59 CO 0.37 0.47 0.58 0.50 -1.33 0.00 0.00 177.39 177.98 8cho h LYS 60 N 0.74 0.68 -6.12 3.23 1.63 -1.48 -3.42 116.57 111.84 8cho h LYS 60 Ca 0.07 -0.35 -0.66 0.00 -0.85 0.00 0.00 60.65 58.85 8cho h LYS 60 Cb 1.14 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 32.65 8cho h LYS 60 CO 0.20 0.96 -0.63 -0.51 -3.45 0.00 0.00 179.45 176.03 8cho s LEU 61 N -9.00 3.62 0.15 5.20 1.43 -1.25 -5.07 118.68 113.75 8cho s LEU 61 Ca -0.12 0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 8cho s LEU 61 Cb 0.09 -2.10 -0.11 0.00 0.03 0.00 0.00 46.19 44.10 8cho s LEU 61 CO 0.82 0.27 1.75 -2.84 0.23 0.00 0.00 176.35 176.59 8cho s PRO 62 N -1.65 4.15 -0.05 1.29 0.02 -1.26 -5.01 135.00 132.49 8cho s PRO 62 Ca 0.21 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.78 8cho s PRO 62 Cb -0.12 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 8cho s PRO 62 CO 0.12 -0.78 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.46 8cho s LEU 63 N 2.06 3.33 -0.32 -5.54 1.43 -1.26 -4.60 118.68 113.77 8cho s LEU 63 Ca 0.77 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 8cho s LEU 63 Cb -0.46 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.04 8cho s LEU 63 CO 0.34 0.34 0.03 0.00 0.23 0.00 0.00 176.35 177.30 8cho s ALA 64 N -0.90 2.86 -0.04 4.21 0.00 -0.56 -4.53 121.76 122.80 8cho s ALA 64 Ca 0.14 -2.02 0.05 0.00 0.00 0.00 0.00 51.96 50.13 8cho s ALA 64 Cb -0.11 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 8cho s ALA 64 CO 0.04 -1.43 -0.19 0.54 0.00 0.00 0.00 175.76 174.73 8cho s VAL 65 N 1.16 2.69 -0.06 0.00 0.11 -1.26 -0.92 120.40 122.12 8cho s VAL 65 Ca -0.01 -0.86 -0.08 0.00 -2.93 0.00 0.00 61.98 58.10 8cho s VAL 65 Cb -0.20 -2.02 0.02 0.00 -1.53 0.00 0.00 36.38 32.65 8cho s VAL 65 CO -0.03 0.59 0.20 -1.83 -3.33 0.00 0.00 175.10 170.70 8cho s GLU 66 N -0.65 0.31 0.14 1.54 -1.05 -0.89 -4.89 118.70 113.20 8cho s GLU 66 Ca 0.10 0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 54.76 8cho s GLU 66 Cb -0.11 0.14 -0.07 0.00 -0.44 0.00 0.00 34.13 33.65 8cho s GLU 66 CO 0.00 -0.05 1.22 -0.51 0.95 0.00 0.00 175.26 176.87 8cho s LEU 67 N -0.22 4.42 0.00 1.83 1.43 -1.26 -1.85 118.68 123.02 8cho s LEU 67 Ca -0.03 2.19 0.19 0.00 -1.03 0.00 0.00 54.13 55.45 8cho s LEU 67 Cb -0.03 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 8cho s LEU 67 CO 0.01 -0.44 0.91 0.35 0.23 0.00 0.00 176.35 177.41 8cho n THR 68 N 3.09 0.00 -3.91 5.49 -2.24 -0.70 -4.95 114.28 111.06 8cho n THR 68 Ca 0.07 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 8cho n THR 68 Cb 0.45 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.81 8cho n THR 68 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 8cho s GLN 69 N -2.39 1.85 0.66 -0.78 -0.21 -1.26 -5.03 119.66 112.50 8cho s GLN 69 Ca 0.13 -1.25 -0.17 0.00 0.02 0.00 0.00 55.36 54.09 8cho s GLN 69 Cb 0.15 0.56 0.00 0.00 1.00 0.00 0.00 33.01 34.72 8cho s GLN 69 CO 0.58 -0.83 1.24 -1.83 -2.12 0.00 0.00 175.29 172.34 8cho s GLU 70 N -3.46 2.52 0.13 2.91 -1.05 -1.26 -4.74 118.70 113.75 8cho s GLU 70 Ca 0.17 1.90 -0.25 0.00 -0.15 0.00 0.00 54.97 56.63 8cho s GLU 70 Cb -0.04 -1.86 -0.07 0.00 -0.44 0.00 0.00 34.13 31.72 8cho s GLU 70 CO 0.10 -1.58 0.78 0.08 0.95 0.00 0.00 175.26 175.58 8cho s VAL 71 N -1.65 4.47 -0.35 1.83 1.01 -1.26 -4.73 120.40 119.71 8cho s VAL 71 Ca 0.78 1.69 -0.13 0.00 0.00 0.00 0.00 61.98 64.32 8cho s VAL 71 Cb -0.33 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 8cho s VAL 71 CO 0.40 0.48 0.25 -0.13 0.00 0.00 0.00 175.10 176.10 8cho s ARG 72 N -0.84 3.39 -0.10 2.72 3.00 -0.66 -4.99 118.95 121.48 8cho s ARG 72 Ca 0.37 -0.72 0.01 0.00 0.00 0.00 0.00 55.73 55.39 8cho s ARG 72 Cb -0.22 -3.83 0.02 0.00 0.00 0.00 0.00 34.95 30.91 8cho s ARG 72 CO 0.25 -0.50 -0.12 0.00 0.00 0.00 0.00 175.30 174.94 8cho s ALA 73 N 1.71 1.45 -0.27 2.13 0.00 -1.26 -0.99 121.76 124.52 8cho s ALA 73 Ca 0.06 -0.58 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 8cho s ALA 73 Cb -0.18 -0.78 0.09 0.00 0.00 0.00 0.00 23.12 22.25 8cho s ALA 73 CO 0.10 -0.13 0.80 0.54 0.00 0.00 0.00 175.76 177.07 8cho s VAL 74 N 1.12 0.00 -0.97 0.00 0.11 -0.48 -4.82 120.40 115.36 8cho s VAL 74 Ca -0.05 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.86 8cho s VAL 74 Cb -0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 8cho s VAL 74 CO -0.02 0.00 0.63 0.00 -3.33 0.00 0.00 175.10 172.37 8cho n ALA 75 N 2.77 -2.73 -1.49 1.54 0.00 -1.26 -1.36 120.51 117.98 8cho n ALA 75 Ca -0.14 -0.40 -0.17 0.00 0.00 0.00 0.00 53.44 52.72 8cho n ALA 75 Cb 0.56 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 8cho n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 8cho n ASN 76 N -2.43 -5.15 -3.94 0.00 3.02 -1.26 -4.98 115.26 100.52 8cho n ASN 76 Ca -0.24 0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 54.62 8cho n ASN 76 Cb 0.64 -4.14 -0.12 0.00 -0.61 0.00 0.00 39.78 35.56 8cho n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 8cho s GLU 77 N -3.42 0.23 -0.01 3.52 2.02 -0.46 -0.52 118.70 120.06 8cho s GLU 77 Ca 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 8cho s GLU 77 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.32 8cho s GLU 77 CO 0.00 -0.04 0.05 0.00 0.02 0.00 0.00 175.26 175.29 8cho s ALA 78 N -1.01 -0.12 0.01 5.21 0.00 -0.52 -1.38 121.76 123.94 8cho s ALA 78 Ca -0.11 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.89 8cho s ALA 78 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 8cho s ALA 78 CO -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 175.76 175.60 8cho s ALA 79 N -0.35 0.72 -0.06 0.00 0.00 -0.16 -0.27 121.76 121.64 8cho s ALA 79 Ca -0.04 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 8cho s ALA 79 Cb -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.98 8cho s ALA 79 CO 0.00 0.15 0.42 -0.59 0.00 0.00 0.00 175.76 175.74 8cho s PHE 80 N -0.41 -0.36 -0.13 0.00 -0.71 -0.70 -1.65 117.98 114.02 8cho s PHE 80 Ca 0.01 0.69 -0.07 0.00 -1.04 0.00 0.00 56.93 56.53 8cho s PHE 80 Cb -0.05 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 8cho s PHE 80 CO -0.00 -0.39 0.13 0.00 -1.34 0.00 0.00 175.22 173.62 8cho s ALA 81 N -0.85 3.81 0.35 1.99 0.00 -1.26 -1.18 121.76 124.63 8cho s ALA 81 Ca -0.09 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 8cho s ALA 81 Cb -0.04 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.15 8cho s ALA 81 CO 0.04 0.55 0.71 -0.59 0.00 0.00 0.00 175.76 176.48 8cho s PHE 82 N -0.81 0.19 0.04 0.00 -0.71 -1.15 -1.73 117.98 113.81 8cho s PHE 82 Ca 0.14 -0.75 0.03 0.00 -1.04 0.00 0.00 56.93 55.32 8cho s PHE 82 Cb -0.12 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 8cho s PHE 82 CO 0.03 -1.41 -0.10 0.96 -1.34 0.00 0.00 175.22 173.36 8cho s ILE 83 N -2.86 0.80 -0.13 -4.49 -4.36 -0.77 -3.28 121.20 106.10 8cho s ILE 83 Ca 0.17 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.64 8cho s ILE 83 Cb -0.04 -0.77 0.01 0.00 1.25 0.00 0.00 42.46 42.91 8cho s ILE 83 CO 0.11 -0.15 -0.21 -0.69 0.24 0.00 0.00 174.94 174.25 8cho s VAL 84 N -0.98 1.97 0.05 8.37 1.01 -0.10 -2.10 120.40 128.61 8cho s VAL 84 Ca -0.03 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.11 8cho s VAL 84 Cb -0.08 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 8cho s VAL 84 CO 0.01 0.53 -0.26 -0.44 0.00 0.00 0.00 175.10 174.94 8cho s SER 85 N 0.82 3.13 0.11 3.32 0.01 -0.10 -0.53 113.70 120.46 8cho s SER 85 Ca -0.08 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.37 8cho s SER 85 Cb -0.16 -0.28 0.06 0.00 0.21 0.00 0.00 66.02 65.85 8cho s SER 85 CO -0.01 0.25 0.55 0.72 0.41 0.00 0.00 173.24 175.16 8cho s PHE 86 N -0.82 -0.46 0.10 2.43 -0.71 -0.58 -1.50 117.98 116.45 8cho s PHE 86 Ca 0.12 0.35 0.07 0.00 -1.04 0.00 0.00 56.93 56.43 8cho s PHE 86 Cb -0.10 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 8cho s PHE 86 CO 0.02 -0.75 -0.12 -2.00 -1.34 0.00 0.00 175.22 171.03 8cho s GLU 87 N -3.20 2.05 -0.29 1.99 2.12 -1.26 -0.41 118.70 119.69 8cho s GLU 87 Ca -0.01 -1.05 -0.09 0.00 0.36 0.00 0.00 54.97 54.17 8cho s GLU 87 Cb -0.00 -2.26 0.13 0.00 0.26 0.00 0.00 34.13 32.26 8cho s GLU 87 CO -0.08 0.50 0.62 -0.47 -0.54 0.00 0.00 175.26 175.30 8cho s TYR 88 N -1.18 -1.31 -1.46 5.30 5.04 0.21 -4.93 117.35 119.02 8cho s TYR 88 Ca 0.20 2.22 -0.10 0.00 -2.44 0.00 0.00 57.07 56.95 8cho s TYR 88 Cb -0.11 0.75 0.05 0.00 0.35 0.00 0.00 41.96 42.99 8cho s TYR 88 CO 0.12 -0.67 0.92 1.04 -1.34 0.00 0.00 175.55 175.63 8cho n GLN 89 N 5.44 -5.93 -1.00 4.97 1.13 -1.26 -1.34 117.38 119.40 8cho n GLN 89 Ca -0.11 0.72 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 8cho n GLN 89 Cb 0.49 -5.64 0.00 0.00 0.11 0.00 0.00 30.24 25.21 8cho n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 8cho n GLY 90 N -1.70 0.64 3.40 1.08 0.00 -1.26 -5.02 105.19 102.32 8cho n GLY 90 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 8cho n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 8cho s ARG 91 N -0.02 3.45 -0.17 1.61 3.52 -0.45 -5.08 118.95 121.80 8cho s ARG 91 Ca 0.00 -0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 54.80 8cho s ARG 91 Cb 0.00 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 8cho s ARG 91 CO 0.00 0.20 0.35 0.15 -0.81 0.00 0.00 175.30 175.20 8cho s LYS 92 N 0.40 4.23 0.03 5.12 3.01 -1.26 -0.62 119.74 130.65 8cho s LYS 92 Ca -0.09 0.17 0.09 0.00 -1.01 0.00 0.00 55.97 55.13 8cho s LYS 92 Cb -0.15 -3.48 -0.03 0.00 -1.01 0.00 0.00 37.83 33.16 8cho s LYS 92 CO 0.05 0.11 -0.26 0.99 0.51 0.00 0.00 175.35 176.75 8cho s THR 93 N 0.85 2.08 -0.16 2.17 2.01 0.45 -3.40 115.64 119.63 8cho s THR 93 Ca 0.18 -1.31 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 8cho s THR 93 Cb -0.14 -1.77 0.04 0.00 0.01 0.00 0.00 72.50 70.64 8cho s THR 93 CO 0.06 0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 8cho s VAL 94 N -0.76 1.17 -0.19 3.82 1.01 -0.98 -1.52 120.40 122.95 8cho s VAL 94 Ca 0.11 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 8cho s VAL 94 Cb -0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 8cho s VAL 94 CO 0.01 0.21 0.12 -0.69 0.00 0.00 0.00 175.10 174.75 8cho s VAL 95 N 1.62 5.30 -0.73 2.92 1.01 0.31 -1.13 120.40 129.69 8cho s VAL 95 Ca 0.02 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.17 8cho s VAL 95 Cb -0.15 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 33.01 8cho s VAL 95 CO -0.08 0.46 0.55 0.00 0.00 0.00 0.00 175.10 176.02 8cho s ALA 96 N 0.25 3.87 0.63 5.51 0.00 -0.08 -0.93 121.76 131.01 8cho s ALA 96 Ca 0.08 -3.75 0.05 0.00 0.00 0.00 0.00 51.96 48.34 8cho s ALA 96 Cb -0.11 -2.39 0.10 0.00 0.00 0.00 0.00 23.12 20.72 8cho s ALA 96 CO -0.01 -2.10 0.87 -1.25 0.00 0.00 0.00 175.76 173.26 8cho s PRO 97 N -1.21 2.06 -0.14 0.00 0.05 -1.21 -4.85 135.00 129.70 8cho s PRO 97 Ca 0.24 -1.35 -0.00 0.00 0.05 0.00 0.00 61.00 59.94 8cho s PRO 97 Cb -0.09 -2.51 0.03 0.00 0.05 0.00 0.00 34.50 31.99 8cho s PRO 97 CO -0.13 -1.09 -0.08 0.42 0.05 0.00 0.00 177.00 176.17 8cho s ILE 98 N -2.87 1.17 0.27 0.56 1.01 -0.73 -2.96 121.20 117.65 8cho s ILE 98 Ca 0.63 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.85 8cho s ILE 98 Cb -0.06 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 8cho s ILE 98 CO 0.41 0.31 0.41 -1.81 0.00 0.00 0.00 174.94 174.27 8cho s ASP 99 N 1.64 6.32 -0.09 3.58 1.11 -0.32 -1.42 116.67 127.48 8cho s ASP 99 Ca 0.04 0.20 -0.03 0.00 0.18 0.00 0.00 52.55 52.94 8cho s ASP 99 Cb -0.13 -1.92 0.04 0.00 1.07 0.00 0.00 42.92 41.98 8cho s ASP 99 CO -0.09 -0.13 0.06 -2.28 1.18 0.00 0.00 175.17 173.91 8cho s HIS 100 N -2.06 0.28 0.09 4.23 5.65 -0.47 -1.72 115.29 121.28 8cho s HIS 100 Ca 0.36 -0.05 0.04 0.00 0.25 0.00 0.00 55.06 55.66 8cho s HIS 100 Cb -0.09 -0.63 -0.04 0.00 -1.18 0.00 0.00 32.58 30.63 8cho s HIS 100 CO 0.31 -0.33 0.06 -0.06 -0.65 0.00 0.00 174.74 174.07 8cho s PHE 101 N 2.10 3.12 -0.06 3.88 0.08 0.62 -1.96 117.98 125.77 8cho s PHE 101 Ca 0.04 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.13 8cho s PHE 101 Cb -0.13 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 8cho s PHE 101 CO -0.05 0.51 -0.07 0.50 -0.10 0.00 0.00 175.22 176.01 8cho s ARG 102 N -2.46 1.15 0.22 0.44 3.52 -0.88 -1.44 118.95 119.50 8cho s ARG 102 Ca 0.28 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.75 8cho s ARG 102 Cb -0.12 -1.13 -0.03 0.00 -1.56 0.00 0.00 34.95 32.11 8cho s ARG 102 CO 0.21 -0.11 0.30 -0.06 -0.81 0.00 0.00 175.30 174.83 8cho s PHE 103 N 1.11 3.38 0.22 5.12 0.40 0.32 -0.95 117.98 127.58 8cho s PHE 103 Ca -0.07 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 8cho s PHE 103 Cb -0.14 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 41.87 8cho s PHE 103 CO -0.01 0.47 0.31 0.27 0.70 0.00 0.00 175.22 176.96 8cho n ASN 104 N -1.12 0.80 -0.24 1.36 2.04 0.70 -4.80 115.26 113.99 8cho n ASN 104 Ca -0.08 -1.58 -0.04 0.00 -0.44 0.00 0.00 54.58 52.43 8cho n ASN 104 Cb 0.56 -0.16 0.12 0.00 -2.53 0.00 0.00 39.78 37.77 8cho n ASN 104 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 8cho h GLY 105 N 0.03 1.16 1.33 4.83 0.00 -2.01 -0.91 103.07 107.51 8cho h GLY 105 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.61 8cho h GLY 105 CO 0.15 0.58 0.00 0.00 0.00 0.00 0.00 176.54 177.27 8cho n ALA 106 N -2.44 2.03 -0.85 3.60 0.00 -1.26 -3.91 120.51 117.68 8cho n ALA 106 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.41 8cho n ALA 106 Cb 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.34 8cho n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8cho n GLY 107 N 0.14 0.53 3.96 0.00 0.00 -0.35 -4.81 105.19 104.66 8cho n GLY 107 Ca 0.10 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 8cho n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 8cho s LYS 108 N -0.86 3.43 -0.26 1.61 -0.14 -1.26 -4.81 119.74 117.45 8cho s LYS 108 Ca 0.00 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 53.62 8cho s LYS 108 Cb 0.00 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.24 8cho s LYS 108 CO 0.00 0.47 1.10 0.08 -0.76 0.00 0.00 175.35 176.23 8cho s VAL 109 N -1.89 4.53 -0.13 3.17 1.01 -0.69 -0.22 120.40 126.19 8cho s VAL 109 Ca 0.34 1.81 0.18 0.00 0.00 0.00 0.00 61.98 64.31 8cho s VAL 109 Cb -0.10 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.82 8cho s VAL 109 CO 0.29 -0.32 0.74 1.33 0.00 0.00 0.00 175.10 177.14 8cho n VAL 110 N 5.61 1.07 -3.68 2.92 0.24 -0.13 -0.86 118.33 123.50 8cho n VAL 110 Ca 0.12 -0.68 -0.14 0.00 -2.04 0.00 0.00 64.34 61.60 8cho n VAL 110 Cb 0.46 -0.63 -0.08 0.00 -1.47 0.00 0.00 33.84 32.12 8cho n VAL 110 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 8cho s SER 111 N -5.62 -0.46 -0.02 -1.34 1.04 -1.18 -1.15 113.70 104.96 8cho s SER 111 Ca -0.04 0.70 0.02 0.00 0.48 0.00 0.00 55.95 57.11 8cho s SER 111 Cb 0.09 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.95 8cho s SER 111 CO 0.82 -0.35 -0.06 -0.32 0.98 0.00 0.00 173.24 174.32 8cho s MET 112 N -0.49 0.70 -0.06 4.02 0.00 -0.15 -2.07 119.30 121.25 8cho s MET 112 Ca -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 55.69 55.45 8cho s MET 112 Cb -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 34.83 34.13 8cho s MET 112 CO 0.04 0.03 -0.01 1.03 0.00 0.00 0.00 175.02 176.11 8cho s ARG 113 N 0.38 0.66 -0.26 4.11 0.52 -0.83 -0.85 118.95 122.69 8cho s ARG 113 Ca -0.05 0.04 -0.09 0.00 -0.52 0.00 0.00 55.73 55.11 8cho s ARG 113 Cb -0.09 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 8cho s ARG 113 CO 0.00 -0.23 0.12 0.00 0.02 0.00 0.00 175.30 175.21 8cho s ALA 114 N 1.59 3.31 -0.28 2.13 0.00 -0.38 -1.37 121.76 126.76 8cho s ALA 114 Ca -0.01 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 8cho s ALA 114 Cb -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.77 8cho s ALA 114 CO -0.04 -0.49 0.07 -1.17 0.00 0.00 0.00 175.76 174.13 8cho s LEU 115 N 1.63 3.71 -0.20 0.00 0.20 -0.51 -0.71 118.68 122.80 8cho s LEU 115 Ca 0.07 -0.62 -0.29 0.00 0.69 0.00 0.00 54.13 53.98 8cho s LEU 115 Cb -0.15 -1.87 0.13 0.00 -0.43 0.00 0.00 46.19 43.87 8cho s LEU 115 CO 0.06 -0.16 1.05 0.72 -0.29 0.00 0.00 176.35 177.74 8cho s PHE 116 N 1.51 -0.35 0.00 5.38 -0.71 -1.26 -1.77 117.98 120.78 8cho s PHE 116 Ca 0.03 0.67 0.00 0.00 -1.04 0.00 0.00 56.93 56.59 8cho s PHE 116 Cb -0.17 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.08 8cho s PHE 116 CO 0.02 -0.28 0.00 0.41 -1.34 0.00 0.00 175.22 174.03 8cho n GLY 117 N 1.03 4.75 0.27 1.99 0.00 -1.26 -4.79 105.19 107.18 8cho n GLY 117 Ca -0.10 -2.04 0.11 0.00 0.00 0.00 0.00 46.02 43.99 8cho n GLY 117 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 8cho h GLU 118 N 0.00 0.00 0.00 1.61 5.08 -2.03 0.13 114.58 119.37 8cho h GLU 118 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 8cho h GLU 118 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 8cho h GLU 118 CO 0.00 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 8cho n LYS 119 N -4.09 0.01 -0.29 2.33 4.76 -1.26 -2.66 118.16 116.95 8cho n LYS 119 Ca -0.03 0.14 0.09 0.00 -2.87 0.00 0.00 58.31 55.64 8cho n LYS 119 Cb 0.13 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.08 8cho n LYS 119 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 8cho n ASN 120 N -1.50 3.55 -4.34 4.39 5.03 0.45 -4.81 115.26 118.03 8cho n ASN 120 Ca 0.05 -2.00 -0.36 0.00 0.87 0.00 0.00 54.58 53.15 8cho n ASN 120 Cb 0.24 -0.39 -0.13 0.00 -1.02 0.00 0.00 39.78 38.49 8cho n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 8cho s ILE 121 N -1.01 3.68 -0.50 2.41 1.01 -1.09 -0.90 121.20 124.80 8cho s ILE 121 Ca 0.39 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.57 8cho s ILE 121 Cb 0.20 -2.76 0.13 0.00 0.01 0.00 0.00 42.46 40.04 8cho s ILE 121 CO 0.26 0.31 0.24 -1.00 0.00 0.00 0.00 174.94 174.75 8cho s HIS 122 N 1.50 3.18 0.16 3.97 3.76 -0.28 -5.00 115.29 122.59 8cho s HIS 122 Ca 0.05 -3.14 0.09 0.00 -0.15 0.00 0.00 55.06 51.90 8cho s HIS 122 Cb -0.15 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 8cho s HIS 122 CO -0.00 -0.76 -0.11 0.00 -0.85 0.00 0.00 174.74 173.02 8cho s ALA 123 N -0.19 2.89 1.00 -1.40 0.00 -1.26 -2.32 121.76 120.48 8cho s ALA 123 Ca 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.70 8cho s ALA 123 Cb -0.25 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.14 8cho s ALA 123 CO -0.01 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.67 8cho n GLY 124 N 0.25 -0.36 0.09 0.00 0.00 -1.22 -5.05 105.19 98.90 8cho n GLY 124 Ca -0.12 -1.50 0.16 0.00 0.00 0.00 0.00 46.02 44.55 8cho n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32