#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lys s VAL 2 N 0.00 3.11 0.50 3.15 1.01 -1.26 -0.73 120.40 126.18 1lys s VAL 2 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1lys s VAL 2 Cb 0.00 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 1lys s VAL 2 CO 0.00 0.07 1.02 -0.36 0.00 0.00 0.00 175.10 175.83 1lys s PHE 3 N 1.33 3.09 0.51 5.22 0.40 -0.39 -4.99 117.98 123.15 1lys s PHE 3 Ca -0.01 1.56 -0.10 0.00 -0.60 0.00 0.00 56.93 57.77 1lys s PHE 3 Cb -0.18 -3.00 -0.05 0.00 0.51 0.00 0.00 43.02 40.30 1lys s PHE 3 CO -0.02 -0.73 0.89 0.20 0.70 0.00 0.00 175.22 176.26 1lys s GLY 4 N -2.27 1.75 0.14 4.36 0.00 -1.26 -4.87 107.32 105.18 1lys s GLY 4 Ca 0.65 -0.18 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 1lys s GLY 4 CO 0.23 0.04 1.60 -0.09 0.00 0.00 0.00 173.10 174.89 1lys h ARG 5 N 0.41 -0.35 0.00 2.90 2.43 -1.97 -1.31 114.38 116.49 1lys h ARG 5 Ca -0.46 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.68 1lys h ARG 5 Cb 1.19 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1lys h ARG 5 CO 0.62 -0.23 -0.24 0.00 -1.51 0.00 0.00 179.97 178.61 1lys h GLU 7 N 0.00 0.79 -0.36 0.00 4.81 -1.85 -1.21 114.58 116.76 1lys h GLU 7 Ca -0.00 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 1lys h GLU 7 Cb 0.86 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1lys h GLU 7 CO 0.03 1.05 -0.07 1.25 -0.73 0.00 0.00 179.01 180.54 1lys h LEU 8 N 0.57 0.68 -0.68 1.64 6.46 -1.12 -2.19 115.31 120.67 1lys h LEU 8 Ca 0.05 -0.35 0.09 0.00 -0.12 0.00 0.00 57.88 57.55 1lys h LEU 8 Cb 0.90 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.57 1lys h LEU 8 CO 0.08 0.88 0.33 0.00 -0.62 0.00 0.00 178.44 179.10 1lys h ALA 9 N 0.83 0.93 -0.46 1.25 0.00 -1.13 0.20 119.26 120.88 1lys h ALA 9 Ca 0.09 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1lys h ALA 9 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1lys h ALA 9 CO 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 179.25 179.25 1lys h ALA 10 N 1.42 0.61 -0.22 0.00 0.00 -1.08 -0.34 119.26 119.66 1lys h ALA 10 Ca 0.34 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1lys h ALA 10 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1lys h ALA 10 CO -0.27 0.37 -0.58 0.00 0.00 0.00 0.00 179.25 178.77 1lys h ALA 11 N 0.94 0.56 -0.22 0.00 0.00 -0.93 -1.74 119.26 117.88 1lys h ALA 11 Ca 0.14 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1lys h ALA 11 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1lys h ALA 11 CO 0.01 0.69 -0.44 0.52 0.00 0.00 0.00 179.25 180.03 1lys h MET 12 N 0.53 0.55 -0.17 0.00 2.86 -0.38 -2.80 114.93 115.51 1lys h MET 12 Ca 0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1lys h MET 12 Cb 1.16 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1lys h MET 12 CO 0.12 0.88 0.09 -0.22 1.06 0.00 0.00 176.91 178.84 1lys h LYS 13 N 0.44 0.25 0.00 1.72 3.11 -0.80 -2.15 116.57 119.14 1lys h LYS 13 Ca 0.03 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1lys h LYS 13 Cb 0.95 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1lys h LYS 13 CO 0.08 0.27 -0.07 0.07 -2.81 0.00 0.00 179.45 176.99 1lys h ARG 14 N 0.16 0.00 -0.48 1.90 0.11 -1.28 -2.08 114.38 112.71 1lys h ARG 14 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1lys h ARG 14 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1lys h ARG 14 CO -0.01 0.07 0.00 0.72 0.10 0.00 0.00 179.97 180.85 1lys n HIS 15 N -3.27 0.47 -1.35 4.08 8.25 -0.84 -4.91 115.22 117.65 1lys n HIS 15 Ca -0.01 -0.20 -0.05 0.00 -0.26 0.00 0.00 57.72 57.21 1lys n HIS 15 Cb 0.27 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1lys n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lys n GLY 16 N 0.64 0.65 0.14 -1.41 0.00 -0.78 -4.91 105.19 99.51 1lys n GLY 16 Ca 0.09 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.35 1lys n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lys h LEU 17 N 0.00 0.00 -8.33 0.99 4.07 -1.68 -3.41 115.31 106.95 1lys h LEU 17 Ca -0.11 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.32 1lys h LEU 17 Cb 0.49 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 1lys h LEU 17 CO 0.15 0.41 1.64 -0.90 -1.08 0.00 0.00 178.44 178.66 1lys n ASP 18 N -3.14 1.42 -0.53 -0.43 5.75 -1.26 -1.32 116.55 117.04 1lys n ASP 18 Ca 0.01 -0.02 -0.07 0.00 -0.01 0.00 0.00 54.79 54.70 1lys n ASP 18 Cb 0.71 -1.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 1lys n ASP 18 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1lys n ASN 19 N 12.33 -3.99 -4.65 -1.12 5.15 -0.19 -4.88 115.26 117.91 1lys n ASN 19 Ca 0.50 0.17 -0.42 0.00 -0.60 0.00 0.00 54.58 54.23 1lys n ASN 19 Cb 0.26 -2.10 -0.03 0.00 -0.53 0.00 0.00 39.78 37.39 1lys n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1lys s TYR 20 N -2.20 2.06 -1.64 1.20 5.04 -0.44 -1.25 117.35 120.11 1lys s TYR 20 Ca 0.00 0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1lys s TYR 20 Cb 0.00 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1lys s TYR 20 CO 0.00 -3.47 0.20 0.54 -1.34 0.00 0.00 175.55 171.47 1lys n ARG 21 N 7.24 -2.75 -0.84 4.97 5.12 -1.26 -1.98 116.66 127.15 1lys n ARG 21 Ca 0.18 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 57.03 1lys n ARG 21 Cb 0.44 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 26.08 1lys n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lys n GLY 22 N -1.16 0.62 3.47 -0.13 0.00 -0.38 -5.02 105.19 102.59 1lys n GLY 22 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1lys n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lys s TYR 23 N -2.21 3.21 0.68 1.61 2.02 -0.84 -4.93 117.35 116.90 1lys s TYR 23 Ca 0.00 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.05 1lys s TYR 23 Cb 0.00 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.13 1lys s TYR 23 CO 0.00 -0.46 1.15 -1.54 -1.57 0.00 0.00 175.55 173.13 1lys s SER 24 N 1.65 4.77 0.29 2.29 1.04 -1.26 -1.02 113.70 121.46 1lys s SER 24 Ca 0.05 2.16 0.01 0.00 0.48 0.00 0.00 55.95 58.65 1lys s SER 24 Cb -0.18 -2.57 0.70 0.00 0.10 0.00 0.00 66.02 64.08 1lys s SER 24 CO 0.08 -1.86 1.48 0.18 0.98 0.00 0.00 173.24 174.10 1lys n LEU 25 N -2.45 -0.13 0.05 2.42 4.77 -1.26 -1.31 117.00 119.08 1lys n LEU 25 Ca 0.12 1.61 0.14 0.00 -0.03 0.00 0.00 56.01 57.85 1lys n LEU 25 Cb 0.51 -0.58 0.62 0.00 -2.33 0.00 0.00 43.42 41.64 1lys n LEU 25 CO 0.47 -1.63 1.15 1.23 -1.33 0.00 0.00 177.39 177.29 1lys h GLY 26 N 0.00 0.17 0.97 -0.72 0.00 -1.92 -0.89 103.07 100.68 1lys h GLY 26 Ca 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1lys h GLY 26 CO -0.90 0.03 0.22 3.43 0.00 0.00 0.00 176.54 179.32 1lys h ASN 27 N 0.12 0.66 -0.33 0.19 2.35 -1.43 -0.30 115.58 116.84 1lys h ASN 27 Ca 0.19 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 1lys h ASN 27 Cb 0.60 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1lys h ASN 27 CO -0.02 0.62 -0.29 -0.50 -1.65 0.00 0.00 177.43 175.59 1lys h TRP 28 N 0.65 0.92 -0.37 1.19 4.06 -1.26 -0.77 115.95 120.37 1lys h TRP 28 Ca 0.17 -0.27 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 1lys h TRP 28 Cb 0.15 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 1lys h TRP 28 CO -0.00 1.04 0.01 0.28 -3.56 0.00 0.00 178.44 176.20 1lys h VAL 29 N 0.55 1.26 -0.88 1.49 2.07 -1.30 -1.86 116.25 117.57 1lys h VAL 29 Ca 0.06 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.63 1lys h VAL 29 Cb 0.87 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1lys h VAL 29 CO 0.07 0.32 0.57 0.00 0.02 0.00 0.00 177.57 178.56 1lys h ALA 31 N 1.35 -0.12 -0.90 0.00 0.00 -0.96 -2.35 119.26 116.30 1lys h ALA 31 Ca 0.34 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1lys h ALA 31 Cb -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1lys h ALA 31 CO -0.11 -0.52 0.59 0.00 0.00 0.00 0.00 179.25 179.21 1lys h ALA 32 N 0.69 1.46 0.02 0.00 0.00 -1.06 0.29 119.26 120.66 1lys h ALA 32 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lys h ALA 32 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1lys h ALA 32 CO 0.02 0.44 -0.04 -0.22 0.00 0.00 0.00 179.25 179.44 1lys h LYS 33 N 1.09 -0.08 0.00 0.00 1.63 -0.85 -1.64 116.57 116.71 1lys h LYS 33 Ca 0.37 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1lys h LYS 33 Cb 0.08 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1lys h LYS 33 CO -0.12 -0.06 -0.74 0.74 -3.45 0.00 0.00 179.45 175.82 1lys h PHE 34 N -0.09 0.00 -0.01 1.91 0.04 -1.15 0.86 116.94 118.51 1lys h PHE 34 Ca 0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1lys h PHE 34 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1lys h PHE 34 CO -0.11 0.00 -0.15 0.93 -0.60 0.00 0.00 178.31 178.38 1lys h GLU 35 N 0.00 0.11 0.00 1.51 4.39 -0.97 -3.42 114.58 116.20 1lys h GLU 35 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1lys h GLU 35 Cb 0.80 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1lys h GLU 35 CO 0.00 0.84 0.00 -1.13 -1.16 0.00 0.00 179.01 177.56 1lys n SER 36 N -4.60 0.27 -3.55 1.42 3.41 -0.64 -4.91 113.62 105.03 1lys n SER 36 Ca -0.09 -0.60 -0.25 0.00 -0.26 0.00 0.00 58.87 57.66 1lys n SER 36 Cb 0.44 0.47 0.05 0.00 -0.26 0.00 0.00 64.21 64.92 1lys n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lys n ASN 37 N -0.47 -5.83 -1.31 4.04 4.05 0.30 -2.83 115.26 113.21 1lys n ASN 37 Ca 0.00 -0.54 -0.17 0.00 0.45 0.00 0.00 54.58 54.32 1lys n ASN 37 Cb 0.02 -4.63 -0.07 0.00 1.23 0.00 0.00 39.78 36.33 1lys n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1lys n PHE 38 N -4.78 -0.05 -3.50 1.20 3.72 -1.19 -4.85 117.46 108.00 1lys n PHE 38 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1lys n PHE 38 Cb 0.56 -2.90 -0.10 0.00 -0.94 0.00 0.00 39.48 36.10 1lys n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lys s ASN 39 N -2.79 6.08 0.66 4.37 3.84 -1.13 -1.26 114.94 124.72 1lys s ASN 39 Ca 0.00 -0.59 0.44 0.00 0.21 0.00 0.00 52.86 52.92 1lys s ASN 39 Cb 0.00 -2.15 2.34 0.00 -0.55 0.00 0.00 41.25 40.90 1lys s ASN 39 CO 0.00 -0.31 2.34 0.71 -2.79 0.00 0.00 177.10 177.05 1lys h THR 40 N 5.54 0.01 -0.54 -5.21 1.35 -1.25 -2.76 112.91 110.04 1lys h THR 40 Ca -0.30 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1lys h THR 40 Cb 1.14 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1lys h THR 40 CO 0.67 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 1lys n GLN 41 N -3.09 2.43 -1.75 4.72 6.02 -1.26 -4.07 117.38 120.38 1lys n GLN 41 Ca -0.03 -2.20 -0.42 0.00 -0.01 0.00 0.00 57.00 54.35 1lys n GLN 41 Cb 0.09 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 1lys n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lys s ALA 42 N -1.28 3.84 0.06 -1.58 0.00 -1.04 -4.78 121.76 116.98 1lys s ALA 42 Ca 0.41 1.59 0.05 0.00 0.00 0.00 0.00 51.96 54.00 1lys s ALA 42 Cb 0.22 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1lys s ALA 42 CO 0.29 -0.96 -0.13 0.99 0.00 0.00 0.00 175.76 175.95 1lys s THR 43 N 0.54 1.03 -0.12 0.00 2.01 -1.26 -0.61 115.64 117.22 1lys s THR 43 Ca 0.69 -1.24 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1lys s THR 43 Cb -0.49 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.08 1lys s THR 43 CO 0.41 -0.23 0.24 0.21 -0.69 0.00 0.00 174.62 174.56 1lys s ASN 44 N -1.66 0.46 0.05 3.53 3.04 -0.53 -4.96 114.94 114.87 1lys s ASN 44 Ca -0.03 0.52 -0.25 0.00 0.04 0.00 0.00 52.86 53.15 1lys s ASN 44 Cb -0.10 0.60 -0.06 0.00 -1.54 0.00 0.00 41.25 40.15 1lys s ASN 44 CO 0.02 -0.24 0.75 -0.60 -3.04 0.00 0.00 177.10 173.99 1lys s ARG 45 N 2.39 4.48 0.23 0.43 3.00 -1.26 -0.41 118.95 127.81 1lys s ARG 45 Ca 0.02 1.04 -0.02 0.00 -1.00 0.00 0.00 55.73 55.77 1lys s ARG 45 Cb -0.12 -3.35 -0.05 0.00 0.00 0.00 0.00 34.95 31.43 1lys s ARG 45 CO -0.08 0.32 0.44 -0.80 0.00 0.00 0.00 175.30 175.18 1lys s ASN 46 N -0.16 6.41 0.50 -2.12 -0.87 0.73 -4.97 114.94 114.46 1lys s ASN 46 Ca 0.38 0.51 0.28 0.00 -1.57 0.00 0.00 52.86 52.45 1lys s ASN 46 Cb -0.20 -2.06 1.37 0.00 -0.02 0.00 0.00 41.25 40.34 1lys s ASN 46 CO 0.23 -0.09 1.87 0.71 -2.57 0.00 0.00 177.10 177.25 1lys h THR 47 N 1.49 0.58 -0.04 1.60 1.35 -1.97 -1.22 112.91 114.71 1lys h THR 47 Ca -0.48 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1lys h THR 47 Cb 1.19 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1lys h THR 47 CO 0.67 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1lys n ASP 48 N -4.35 0.25 0.00 5.36 5.75 -1.26 -4.88 116.55 117.42 1lys n ASP 48 Ca 0.19 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1lys n ASP 48 Cb 0.90 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1lys n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lys n GLY 49 N 0.70 0.90 3.95 6.12 0.00 -0.46 -4.99 105.19 111.41 1lys n GLY 49 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1lys n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lys s SER 50 N -2.72 5.94 0.03 1.61 1.04 -1.26 -4.73 113.70 113.61 1lys s SER 50 Ca 0.00 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1lys s SER 50 Cb 0.00 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 1lys s SER 50 CO 0.00 -0.62 -0.05 0.28 0.98 0.00 0.00 173.24 173.83 1lys s THR 51 N -2.51 0.32 0.08 2.02 -1.32 -1.26 -0.19 115.64 112.77 1lys s THR 51 Ca 0.47 -0.83 -0.20 0.00 -1.21 0.00 0.00 61.69 59.92 1lys s THR 51 Cb -0.10 -0.40 -0.07 0.00 -1.51 0.00 0.00 72.50 70.43 1lys s THR 51 CO 0.38 -0.34 0.59 -1.81 -2.21 0.00 0.00 174.62 171.22 1lys s ASP 52 N -1.24 7.08 -0.03 8.08 1.01 0.45 -1.36 116.67 130.66 1lys s ASP 52 Ca -0.10 1.29 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1lys s ASP 52 Cb -0.08 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.49 1lys s ASP 52 CO -0.00 0.26 -0.08 -0.31 0.21 0.00 0.00 175.17 175.25 1lys s TYR 53 N -1.06 0.94 0.00 4.23 1.51 -0.15 -1.45 117.35 121.38 1lys s TYR 53 Ca 0.30 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1lys s TYR 53 Cb -0.20 -0.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1lys s TYR 53 CO 0.19 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1lys n GLY 54 N 3.55 -1.97 0.29 0.71 0.00 0.21 -1.69 105.19 106.28 1lys n GLY 54 Ca -0.21 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.32 1lys n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lys h ILE 55 N 0.00 0.11 -0.09 -0.61 2.10 -1.72 -1.08 117.51 116.22 1lys h ILE 55 Ca 0.00 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1lys h ILE 55 Cb 0.00 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1lys h ILE 55 CO 0.00 0.03 0.00 0.18 -1.08 0.00 0.00 178.15 177.28 1lys n LEU 56 N -3.17 2.62 -4.05 2.19 4.32 -1.26 -4.08 117.00 113.56 1lys n LEU 56 Ca -0.01 -2.67 -0.42 0.00 -0.02 0.00 0.00 56.01 52.89 1lys n LEU 56 Cb 0.26 -0.32 0.01 0.00 -1.62 0.00 0.00 43.42 41.75 1lys n LEU 56 CO 0.26 0.65 -0.19 0.00 -1.22 0.00 0.00 177.39 176.89 1lys n GLN 57 N -0.79 -0.55 -2.88 3.23 1.13 -0.41 -4.91 117.38 112.19 1lys n GLN 57 Ca 0.12 0.13 -0.40 0.00 -1.94 0.00 0.00 57.00 54.92 1lys n GLN 57 Cb 0.56 -2.92 -0.05 0.00 0.11 0.00 0.00 30.24 27.94 1lys n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lys s ILE 58 N -3.64 4.58 0.06 5.09 1.01 -0.68 -4.42 121.20 123.19 1lys s ILE 58 Ca 0.42 1.81 -0.20 0.00 0.00 0.00 0.00 60.65 62.68 1lys s ILE 58 Cb -0.22 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1lys s ILE 58 CO 0.96 0.37 0.58 0.21 0.00 0.00 0.00 174.94 177.06 1lys s ASN 59 N -0.21 7.05 0.14 3.58 3.84 -1.26 -0.97 114.94 127.11 1lys s ASN 59 Ca 0.41 1.25 0.25 0.00 0.21 0.00 0.00 52.86 54.98 1lys s ASN 59 Cb -0.22 -2.36 0.93 0.00 -0.55 0.00 0.00 41.25 39.05 1lys s ASN 59 CO 0.26 0.23 1.77 -1.54 -2.79 0.00 0.00 177.10 175.03 1lys n SER 60 N 1.97 0.49 0.11 -4.21 3.41 -0.46 -1.97 113.62 112.96 1lys n SER 60 Ca -0.09 0.57 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 1lys n SER 60 Cb 0.51 -0.69 0.44 0.00 -0.26 0.00 0.00 64.21 64.21 1lys n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lys h ARG 61 N 0.00 0.29 0.00 4.33 9.65 -1.85 -3.37 114.38 123.43 1lys h ARG 61 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1lys h ARG 61 Cb 0.55 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1lys h ARG 61 CO 0.00 0.31 -0.82 0.91 2.80 0.00 0.00 179.97 183.17 1lys n TRP 62 N -4.38 0.00 -0.03 2.20 7.02 -1.23 -0.97 117.44 120.05 1lys n TRP 62 Ca -0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.48 1lys n TRP 62 Cb 0.18 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.96 1lys n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lys n TRP 63 N -1.68 0.00 -4.10 -5.99 7.02 -0.83 -0.80 117.44 111.06 1lys n TRP 63 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1lys n TRP 63 Cb 0.37 -0.48 -0.08 0.00 -2.42 0.00 0.00 31.31 28.70 1lys n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lys s ASN 65 N -3.08 5.53 0.00 0.00 2.47 -0.35 -4.63 114.94 114.89 1lys s ASN 65 Ca 0.30 -0.50 0.13 0.00 0.42 0.00 0.00 52.86 53.20 1lys s ASN 65 Cb 0.04 -2.00 0.13 0.00 -1.45 0.00 0.00 41.25 37.98 1lys s ASN 65 CO 0.09 -0.18 0.96 -0.90 -3.72 0.00 0.00 177.10 173.34 1lys n ASP 66 N 4.98 2.19 0.00 -4.21 5.68 -1.26 -0.38 116.55 123.55 1lys n ASP 66 Ca -0.14 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1lys n ASP 66 Cb 0.49 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1lys n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lys n GLY 67 N 0.70 1.57 0.74 6.12 0.00 -1.26 -4.85 105.19 108.21 1lys n GLY 67 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1lys n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lys n ARG 68 N -2.00 1.84 -3.94 1.61 5.12 -1.26 -5.08 116.66 112.96 1lys n ARG 68 Ca 0.00 -3.04 -0.10 0.00 -1.93 0.00 0.00 57.85 52.79 1lys n ARG 68 Cb 0.00 -1.70 -0.10 0.00 -1.16 0.00 0.00 32.46 29.49 1lys n ARG 68 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1lys s THR 69 N -3.10 0.11 0.00 0.55 2.01 -1.26 -4.92 115.64 109.03 1lys s THR 69 Ca 0.40 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1lys s THR 69 Cb 0.36 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.45 1lys s THR 69 CO 0.00 -0.48 0.00 -0.81 -0.69 0.00 0.00 174.62 172.64 1lys n PRO 70 N 1.42 0.00 -3.10 4.92 -0.04 -1.26 -3.30 135.00 133.63 1lys n PRO 70 Ca -0.23 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.87 1lys n PRO 70 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 1lys n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lys n GLY 71 N 0.00 5.19 3.68 0.55 0.00 -1.26 -5.08 105.19 108.27 1lys n GLY 71 Ca 0.00 -2.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.02 1lys n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lys s SER 72 N -2.11 1.75 0.50 1.61 1.04 -1.21 -5.09 113.70 110.19 1lys s SER 72 Ca 0.36 0.69 0.07 0.00 0.48 0.00 0.00 55.95 57.55 1lys s SER 72 Cb 0.11 -1.00 0.03 0.00 0.10 0.00 0.00 66.02 65.26 1lys s SER 72 CO 0.03 -3.62 0.50 -0.13 0.98 0.00 0.00 173.24 171.00 1lys s ARG 73 N -5.40 2.41 -0.38 4.02 3.00 -0.14 -4.99 118.95 117.45 1lys s ARG 73 Ca 0.70 -1.71 0.11 0.00 0.00 0.00 0.00 55.73 54.84 1lys s ARG 73 Cb -0.11 -2.37 0.35 0.00 0.00 0.00 0.00 34.95 32.82 1lys s ARG 73 CO 0.56 -0.50 0.78 -1.71 0.00 0.00 0.00 175.30 174.42 1lys n ASN 74 N -1.81 0.43 0.30 0.23 4.05 -1.14 -3.76 115.26 113.56 1lys n ASN 74 Ca 0.05 -3.10 0.18 0.00 0.45 0.00 0.00 54.58 52.16 1lys n ASN 74 Cb 0.62 -0.30 0.93 0.00 1.23 0.00 0.00 39.78 42.27 1lys n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1lys h LEU 75 N 3.00 0.00 -0.89 1.20 4.07 -1.02 -1.10 115.31 120.57 1lys h LEU 75 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1lys h LEU 75 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1lys h LEU 75 CO 0.45 0.04 -0.11 0.00 -1.08 0.00 0.00 178.44 177.74 1lys n ASN 77 N -0.01 -2.60 -3.90 0.00 3.02 -0.42 -4.99 115.26 106.36 1lys n ASN 77 Ca 0.16 -0.56 -0.11 0.00 -0.03 0.00 0.00 54.58 54.04 1lys n ASN 77 Cb 0.38 -4.76 -0.11 0.00 -0.61 0.00 0.00 39.78 34.68 1lys n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1lys s ILE 78 N -3.33 0.07 0.30 2.41 1.10 -1.26 -5.08 121.20 115.42 1lys s ILE 78 Ca 0.08 -0.60 -0.29 0.00 -0.51 0.00 0.00 60.65 59.32 1lys s ILE 78 Cb -0.03 -0.32 -0.10 0.00 0.15 0.00 0.00 42.46 42.16 1lys s ILE 78 CO 0.67 -0.33 1.36 -2.16 -2.11 0.00 0.00 174.94 172.37 1lys s PRO 79 N -1.08 4.31 0.56 3.50 0.04 -1.26 -1.20 135.00 139.87 1lys s PRO 79 Ca -0.12 2.26 0.25 0.00 0.04 0.00 0.00 61.00 63.43 1lys s PRO 79 Cb -0.07 -3.08 1.59 0.00 0.04 0.00 0.00 34.50 32.98 1lys s PRO 79 CO 0.00 -0.29 2.17 0.00 0.04 0.00 0.00 177.00 178.93 1lys h SER 81 N 0.00 0.00 0.65 0.00 4.64 -1.92 -2.70 113.55 114.22 1lys h SER 81 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1lys h SER 81 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1lys h SER 81 CO -0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 1lys h ALA 82 N 1.89 1.10 0.00 5.18 0.00 -1.68 -1.00 119.26 124.74 1lys h ALA 82 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1lys h ALA 82 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1lys h ALA 82 CO -0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1lys n LEU 83 N -3.34 0.55 -1.35 0.00 4.32 -1.02 -3.18 117.00 112.99 1lys n LEU 83 Ca -0.01 0.59 0.11 0.00 -0.02 0.00 0.00 56.01 56.68 1lys n LEU 83 Cb 0.28 -0.46 0.32 0.00 -1.62 0.00 0.00 43.42 41.95 1lys n LEU 83 CO 0.29 -0.30 0.77 0.18 -1.22 0.00 0.00 177.39 177.11 1lys n LEU 84 N -2.06 4.02 -4.78 2.23 4.77 -0.38 -4.22 117.00 116.59 1lys n LEU 84 Ca 0.04 -2.06 -0.36 0.00 -0.03 0.00 0.00 56.01 53.61 1lys n LEU 84 Cb 0.32 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1lys n LEU 84 CO 0.24 0.96 0.78 -0.55 -1.33 0.00 0.00 177.39 177.49 1lys s SER 85 N -0.99 6.10 0.56 -1.43 0.15 -1.19 -4.37 113.70 112.52 1lys s SER 85 Ca 0.48 2.16 0.31 0.00 0.70 0.00 0.00 55.95 59.60 1lys s SER 85 Cb 0.26 -2.58 1.65 0.00 -1.71 0.00 0.00 66.02 63.63 1lys s SER 85 CO 0.31 -0.96 2.14 0.28 1.20 0.00 0.00 173.24 176.22 1lys h SER 86 N 1.69 0.00 -3.51 5.45 0.02 -1.93 -3.42 113.55 111.85 1lys h SER 86 Ca -0.50 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.93 1lys h SER 86 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1lys h SER 86 CO 0.59 0.07 0.21 -0.62 -1.14 0.00 0.00 176.83 175.94 1lys s ASP 87 N -6.00 7.36 0.00 3.07 2.15 -1.26 -4.91 116.67 117.09 1lys s ASP 87 Ca -0.03 1.62 0.18 0.00 0.43 0.00 0.00 52.55 54.75 1lys s ASP 87 Cb 0.13 -2.51 0.51 0.00 -0.30 0.00 0.00 42.92 40.75 1lys s ASP 87 CO 0.55 0.10 1.42 2.30 -0.17 0.00 0.00 175.17 179.37 1lys n ILE 88 N 2.19 0.56 -0.14 4.11 -5.35 -1.26 -4.57 119.36 114.90 1lys n ILE 88 Ca -0.03 -0.63 -0.04 0.00 -0.27 0.00 0.00 62.75 61.78 1lys n ILE 88 Cb 0.49 0.46 0.02 0.00 -1.74 0.00 0.00 39.64 38.87 1lys n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lys h THR 89 N 3.11 0.50 -0.69 7.28 2.02 -1.94 -0.96 112.91 122.22 1lys h THR 89 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1lys h THR 89 Cb 0.70 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1lys h THR 89 CO 0.00 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.09 1lys h ALA 90 N 1.37 0.91 -0.47 6.16 0.00 -1.80 -2.03 119.26 123.39 1lys h ALA 90 Ca 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1lys h ALA 90 Cb 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1lys h ALA 90 CO -0.48 0.60 0.16 0.77 0.00 0.00 0.00 179.25 180.30 1lys h SER 91 N 1.02 0.68 -0.40 0.00 0.02 -1.65 -1.86 113.55 111.37 1lys h SER 91 Ca 0.22 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1lys h SER 91 Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1lys h SER 91 CO -0.00 0.69 -0.01 0.58 -1.14 0.00 0.00 176.83 176.95 1lys h VAL 92 N 0.63 1.26 -0.42 2.27 2.07 -1.07 -0.28 116.25 120.71 1lys h VAL 92 Ca 0.15 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1lys h VAL 92 Cb 0.25 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1lys h VAL 92 CO -0.01 0.35 -0.05 0.78 0.02 0.00 0.00 177.57 178.66 1lys h ASN 93 N 0.54 0.68 0.26 0.57 2.35 -1.27 -1.96 115.58 116.76 1lys h ASN 93 Ca 0.11 -0.17 -0.27 0.00 -0.55 0.00 0.00 56.30 55.42 1lys h ASN 93 Cb 0.49 -0.18 0.02 0.00 0.05 0.00 0.00 38.32 38.70 1lys h ASN 93 CO 0.02 0.78 -1.14 0.00 -1.65 0.00 0.00 177.43 175.45 1lys h ALA 95 N 0.48 1.36 -0.48 0.00 0.00 -0.87 0.52 119.26 120.28 1lys h ALA 95 Ca -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1lys h ALA 95 Cb 1.81 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1lys h ALA 95 CO 0.21 0.56 0.11 0.87 0.00 0.00 0.00 179.25 180.99 1lys h LYS 96 N 1.24 0.72 -0.31 0.00 1.57 -1.33 0.20 116.57 118.67 1lys h LYS 96 Ca 0.38 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1lys h LYS 96 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1lys h LYS 96 CO -0.11 0.66 -0.35 0.87 -0.57 0.00 0.00 179.45 179.96 1lys h LYS 97 N 0.70 0.69 0.00 3.15 1.57 -1.11 -2.88 116.57 118.69 1lys h LYS 97 Ca 0.16 -0.33 -0.20 0.00 -1.87 0.00 0.00 60.65 58.40 1lys h LYS 97 Cb 0.27 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1lys h LYS 97 CO -0.00 0.94 -1.08 -0.84 -0.57 0.00 0.00 179.45 177.90 1lys h ILE 98 N 0.58 1.33 0.00 1.86 3.07 0.13 -3.05 117.51 121.43 1lys h ILE 98 Ca 0.06 -3.00 -0.04 0.00 1.55 0.00 0.00 64.86 63.43 1lys h ILE 98 Cb 0.87 2.64 -0.01 0.00 -0.27 0.00 0.00 36.82 40.06 1lys h ILE 98 CO 0.08 0.76 -0.18 1.62 -1.05 0.00 0.00 178.15 179.37 1lys h VAL 99 N 0.00 0.55 -0.13 0.16 3.04 -0.69 -1.28 116.25 117.89 1lys h VAL 99 Ca -0.07 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1lys h VAL 99 Cb 1.74 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1lys h VAL 99 CO 0.10 0.18 0.00 -1.20 -1.01 0.00 0.00 177.57 175.64 1lys n SER 100 N -3.47 0.80 -0.35 3.17 7.64 -1.09 -3.50 113.62 116.82 1lys n SER 100 Ca -0.01 -1.89 0.13 0.00 1.01 0.00 0.00 58.87 58.12 1lys n SER 100 Cb 0.35 -0.09 0.43 0.00 -1.01 0.00 0.00 64.21 63.90 1lys n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1lys n ASP 101 N -0.11 1.24 0.00 6.43 2.03 -0.48 -4.93 116.55 120.72 1lys n ASP 101 Ca 0.08 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.24 1lys n ASP 101 Cb 0.14 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1lys n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lys n GLY 102 N 1.27 1.34 0.64 0.27 0.00 -1.26 -4.97 105.19 102.49 1lys n GLY 102 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1lys n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lys n ASN 103 N 0.00 2.77 0.00 1.61 4.05 -1.26 -5.08 115.26 117.35 1lys n ASN 103 Ca 0.00 -1.89 0.00 0.00 0.45 0.00 0.00 54.58 53.14 1lys n ASN 103 Cb 0.00 -0.19 0.00 0.00 1.23 0.00 0.00 39.78 40.82 1lys n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lys n GLY 104 N 0.61 2.68 0.13 8.20 0.00 -1.23 -1.84 105.19 113.73 1lys n GLY 104 Ca 0.11 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.90 1lys n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lys n MET 105 N 13.38 1.17 0.00 1.61 2.81 -1.26 -3.28 117.12 131.55 1lys n MET 105 Ca 0.00 -0.25 0.10 0.00 -1.81 0.00 0.00 57.70 55.74 1lys n MET 105 Cb 0.00 -1.40 0.52 0.00 -0.71 0.00 0.00 33.22 31.62 1lys n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1lys n ASN 106 N -0.61 0.00 0.28 7.83 3.02 -0.77 -1.64 115.26 123.37 1lys n ASN 106 Ca 0.19 0.07 0.18 0.00 -0.03 0.00 0.00 54.58 54.99 1lys n ASN 106 Cb 0.15 -0.32 0.84 0.00 -0.61 0.00 0.00 39.78 39.83 1lys n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lys h ALA 107 N 2.95 1.00 -2.74 5.41 0.00 -1.67 -3.40 119.26 120.81 1lys h ALA 107 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1lys h ALA 107 Cb 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.79 1lys h ALA 107 CO 0.00 0.00 -0.50 -1.58 0.00 0.00 0.00 179.25 177.17 1lys s TRP 108 N -3.79 3.22 0.21 0.00 0.51 -0.65 -4.97 118.94 113.47 1lys s TRP 108 Ca -0.01 -0.67 -0.10 0.00 -2.12 0.00 0.00 56.10 53.20 1lys s TRP 108 Cb 0.10 -2.46 0.25 0.00 -0.81 0.00 0.00 33.47 30.55 1lys s TRP 108 CO 0.48 -0.54 1.78 0.28 -0.51 0.00 0.00 176.95 178.43 1lys h VAL 109 N 5.71 0.89 -0.49 4.03 2.07 -1.85 -1.97 116.25 124.65 1lys h VAL 109 Ca -0.28 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1lys h VAL 109 Cb 1.13 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1lys h VAL 109 CO 0.66 0.10 0.07 0.00 0.02 0.00 0.00 177.57 178.42 1lys h ALA 110 N 1.36 1.21 -0.15 1.67 0.00 -1.93 -1.68 119.26 119.75 1lys h ALA 110 Ca 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lys h ALA 110 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1lys h ALA 110 CO -0.23 0.53 0.03 2.35 0.00 0.00 0.00 179.25 181.94 1lys h TRP 111 N 0.73 0.26 0.00 0.00 7.01 -1.75 0.11 115.95 122.31 1lys h TRP 111 Ca 0.15 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1lys h TRP 111 Cb 0.35 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 1lys h TRP 111 CO 0.02 0.41 0.00 0.07 -2.79 0.00 0.00 178.44 176.14 1lys h ARG 112 N 0.05 0.00 0.00 2.65 0.11 -1.14 0.12 114.38 116.17 1lys h ARG 112 Ca 0.05 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.87 1lys h ARG 112 Cb 0.28 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.31 1lys h ARG 112 CO 0.00 0.00 -1.96 0.09 0.10 0.00 0.00 179.97 178.21 1lys n ASN 113 N -2.94 0.40 0.00 0.08 3.02 -0.65 -4.43 115.26 110.74 1lys n ASN 113 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1lys n ASN 113 Cb 0.37 0.68 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1lys n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1lys n ARG 114 N -2.79 2.19 -0.05 3.52 1.74 0.36 -4.87 116.66 116.76 1lys n ARG 114 Ca -0.20 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.82 1lys n ARG 114 Cb 0.99 -0.80 -0.06 0.00 -1.02 0.00 0.00 32.46 31.56 1lys n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lys n LYS 116 N -2.53 2.54 -0.83 0.00 4.81 0.19 -1.98 118.16 120.35 1lys n LYS 116 Ca -0.16 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1lys n LYS 116 Cb 0.75 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1lys n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lys n GLY 117 N 3.93 0.72 3.99 3.14 0.00 -1.26 -4.96 105.19 110.75 1lys n GLY 117 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1lys n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lys s THR 118 N -2.67 3.05 -1.12 2.61 2.01 -0.84 -5.00 115.64 113.68 1lys s THR 118 Ca 0.00 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 1lys s THR 118 Cb 0.00 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1lys s THR 118 CO 0.00 -0.02 2.25 -0.90 -0.69 0.00 0.00 174.62 175.27 1lys n ASP 119 N -1.78 4.86 0.23 3.53 5.68 -1.26 -4.77 116.55 123.04 1lys n ASP 119 Ca 0.07 -2.56 0.11 0.00 -0.50 0.00 0.00 54.79 51.91 1lys n ASP 119 Cb 0.59 -1.29 0.70 0.00 -1.14 0.00 0.00 41.12 39.98 1lys n ASP 119 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1lys h VAL 120 N 3.73 0.87 -0.40 2.12 2.07 -1.91 -0.82 116.25 121.91 1lys h VAL 120 Ca 0.57 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.20 1lys h VAL 120 Cb 0.40 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1lys h VAL 120 CO 1.73 0.00 0.29 0.06 0.02 0.00 0.00 177.57 179.67 1lys h GLN 121 N 0.00 0.00 -0.02 1.57 -0.00 -1.89 -2.56 115.11 112.21 1lys h GLN 121 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.69 1lys h GLN 121 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.63 1lys h GLN 121 CO -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 178.83 178.85 1lys h ALA 122 N 1.79 1.84 0.00 0.06 0.00 -1.55 -1.75 119.26 119.65 1lys h ALA 122 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1lys h ALA 122 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1lys h ALA 122 CO -0.00 -0.03 0.00 0.91 0.00 0.00 0.00 179.25 180.13 1lys n TRP 123 N -4.27 0.15 -0.83 0.00 7.02 -0.96 -2.28 117.44 116.26 1lys n TRP 123 Ca -0.03 0.06 0.08 0.00 -1.02 0.00 0.00 57.50 56.59 1lys n TRP 123 Cb 0.11 -0.60 0.12 0.00 -2.42 0.00 0.00 31.31 28.52 1lys n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1lys n ILE 124 N -1.64 1.71 -1.96 -0.99 -5.35 -0.66 -4.80 119.36 105.68 1lys n ILE 124 Ca 0.03 -1.97 -0.42 0.00 -0.27 0.00 0.00 62.75 60.12 1lys n ILE 124 Cb 0.14 -0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 37.94 1lys n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1lys s ARG 125 N -2.46 4.23 0.00 6.28 3.52 -0.97 -2.20 118.95 127.36 1lys s ARG 125 Ca 0.26 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1lys s ARG 125 Cb 0.22 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1lys s ARG 125 CO 0.03 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.44 1lys n GLY 126 N 2.49 1.28 3.95 8.12 0.00 -1.26 -5.00 105.19 114.77 1lys n GLY 126 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1lys n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lys n ARG 128 N -2.19 0.00 -0.26 0.00 1.74 -1.26 -5.12 116.66 109.57 1lys n ARG 128 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1lys n ARG 128 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 1lys n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39