#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2y s VAL 2 N 0.00 2.08 0.41 3.15 1.01 -1.26 -1.06 120.40 124.73 1a2y s VAL 2 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 1a2y s VAL 2 Cb 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1a2y s VAL 2 CO 0.00 0.31 0.81 -0.36 0.00 0.00 0.00 175.10 175.86 1a2y s PHE 3 N 1.23 3.44 0.32 5.22 0.40 -0.60 -5.01 117.98 122.98 1a2y s PHE 3 Ca -0.00 1.17 0.01 0.00 -0.60 0.00 0.00 56.93 57.51 1a2y s PHE 3 Cb -0.16 -2.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.80 1a2y s PHE 3 CO -0.10 -0.12 0.52 0.20 0.70 0.00 0.00 175.22 176.42 1a2y s GLY 4 N -2.96 1.35 0.17 4.36 0.00 -1.26 -4.83 107.32 104.15 1a2y s GLY 4 Ca 0.53 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 1a2y s GLY 4 CO 0.28 -0.89 1.80 0.07 0.00 0.00 0.00 173.10 174.37 1a2y h ARG 5 N 0.89 0.53 -0.12 2.90 0.11 -1.98 -2.32 114.38 114.38 1a2y h ARG 5 Ca -0.50 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.44 1a2y h ARG 5 Cb 1.22 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1a2y h ARG 5 CO 0.62 0.35 -0.42 0.00 0.10 0.00 0.00 179.97 180.62 1a2y h GLU 7 N 0.22 0.83 -0.36 0.00 3.07 -1.92 -2.22 114.58 114.21 1a2y h GLU 7 Ca 0.02 -0.34 -0.16 0.00 -0.50 0.00 0.00 59.36 58.39 1a2y h GLU 7 Cb 0.83 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1a2y h GLU 7 CO 0.07 0.97 -0.39 1.25 -1.40 0.00 0.00 179.01 179.51 1a2y h LEU 8 N 0.65 0.96 -0.45 1.33 5.85 -1.30 -2.79 115.31 119.56 1a2y h LEU 8 Ca 0.10 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1a2y h LEU 8 Cb 0.68 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1a2y h LEU 8 CO 0.05 1.24 0.20 0.00 -0.34 0.00 0.00 178.44 179.59 1a2y h ALA 9 N 0.75 0.55 -0.50 1.25 0.00 -1.20 -0.17 119.26 119.94 1a2y h ALA 9 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a2y h ALA 9 Cb 0.98 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1a2y h ALA 9 CO 0.09 -0.16 0.30 0.00 0.00 0.00 0.00 179.25 179.48 1a2y h ALA 10 N 1.26 0.64 -0.23 0.00 0.00 -1.39 -1.14 119.26 118.40 1a2y h ALA 10 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a2y h ALA 10 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1a2y h ALA 10 CO -0.16 0.12 0.07 0.00 0.00 0.00 0.00 179.25 179.28 1a2y h ALA 11 N 1.15 0.30 -0.97 0.00 0.00 -1.18 -1.89 119.26 116.67 1a2y h ALA 11 Ca 0.18 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a2y h ALA 11 Cb -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1a2y h ALA 11 CO -0.03 -0.07 0.64 0.52 0.00 0.00 0.00 179.25 180.31 1a2y h MET 12 N 0.20 1.23 0.09 0.00 2.86 -0.87 -1.52 114.93 116.92 1a2y h MET 12 Ca 0.07 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1a2y h MET 12 Cb 0.24 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1a2y h MET 12 CO -0.00 0.81 -0.04 -0.22 1.06 0.00 0.00 176.91 178.52 1a2y h LYS 13 N 1.27 -0.12 -0.40 1.72 3.64 -1.02 -2.06 116.57 119.60 1a2y h LYS 13 Ca 0.37 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.88 1a2y h LYS 13 Cb -0.06 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1a2y h LYS 13 CO -0.10 0.03 0.29 0.00 -2.27 0.00 0.00 179.45 177.40 1a2y h ARG 14 N -0.24 0.00 -0.60 1.90 3.08 -0.92 0.21 114.38 117.82 1a2y h ARG 14 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a2y h ARG 14 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1a2y h ARG 14 CO 0.02 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.64 1a2y n HIS 15 N -4.38 0.70 -2.54 3.04 8.25 -0.61 -4.94 115.22 114.74 1a2y n HIS 15 Ca 0.07 -0.27 -0.10 0.00 -0.26 0.00 0.00 57.72 57.15 1a2y n HIS 15 Cb 0.48 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.45 1a2y n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a2y n GLY 16 N 0.61 0.09 0.06 -1.41 0.00 0.06 -4.98 105.19 99.62 1a2y n GLY 16 Ca 0.12 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1a2y n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a2y n LEU 17 N -1.93 0.53 -4.63 0.99 4.77 -0.95 -4.54 117.00 111.24 1a2y n LEU 17 Ca -0.07 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1a2y n LEU 17 Cb 0.56 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1a2y n LEU 17 CO 0.21 -0.07 1.61 0.00 -1.33 0.00 0.00 177.39 177.81 1a2y s ALA 18 N -3.37 3.14 -0.25 -1.18 0.00 -1.26 -1.77 121.76 117.06 1a2y s ALA 18 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1a2y s ALA 18 Cb 0.12 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1a2y s ALA 18 CO 0.83 -2.18 0.00 -1.71 0.00 0.00 0.00 175.76 172.70 1a2y n ASN 19 N 9.45 -4.27 -4.67 0.00 5.15 0.81 -4.91 115.26 116.82 1a2y n ASN 19 Ca 0.23 0.06 -0.44 0.00 -0.60 0.00 0.00 54.58 53.83 1a2y n ASN 19 Cb 0.44 -1.98 -0.04 0.00 -0.53 0.00 0.00 39.78 37.68 1a2y n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1a2y n TYR 20 N -2.60 2.46 -3.34 1.20 9.36 -0.73 -0.56 117.16 122.96 1a2y n TYR 20 Ca -0.02 -0.24 -0.24 0.00 3.32 0.00 0.00 57.90 60.71 1a2y n TYR 20 Cb 0.24 -2.76 0.02 0.00 -0.63 0.00 0.00 39.34 36.21 1a2y n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1a2y n ARG 21 N 7.09 -4.41 -0.88 2.98 1.74 -1.26 -1.72 116.66 120.21 1a2y n ARG 21 Ca 0.21 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1a2y n ARG 21 Cb 0.37 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 1a2y n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a2y n GLY 22 N -1.41 0.92 3.61 -0.13 0.00 0.28 -4.27 105.19 104.20 1a2y n GLY 22 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1a2y n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2y s TYR 23 N -3.68 3.24 0.66 1.61 2.02 -0.70 -4.88 117.35 115.62 1a2y s TYR 23 Ca 0.00 0.63 -0.17 0.00 -0.37 0.00 0.00 57.07 57.16 1a2y s TYR 23 Cb 0.00 -2.86 -0.00 0.00 -0.40 0.00 0.00 41.96 38.70 1a2y s TYR 23 CO 0.00 -0.38 1.19 -1.54 -1.57 0.00 0.00 175.55 173.25 1a2y s SER 24 N 1.58 4.79 0.28 2.29 1.04 -1.26 -0.13 113.70 122.29 1a2y s SER 24 Ca 0.24 2.31 0.01 0.00 0.48 0.00 0.00 55.95 58.99 1a2y s SER 24 Cb -0.15 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 64.04 1a2y s SER 24 CO 0.10 -1.86 1.69 0.25 0.98 0.00 0.00 173.24 174.41 1a2y h LEU 25 N 0.29 0.22 -2.08 2.42 5.85 -1.91 -2.21 115.31 117.89 1a2y h LEU 25 Ca -0.49 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.46 1a2y h LEU 25 Cb 1.29 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1a2y h LEU 25 CO 0.53 -0.02 0.21 1.23 -0.34 0.00 0.00 178.44 180.05 1a2y h GLY 26 N 0.35 0.00 0.83 3.75 0.00 -1.92 -2.13 103.07 103.95 1a2y h GLY 26 Ca 0.52 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.89 1a2y h GLY 26 CO -0.53 0.00 0.45 3.43 0.00 0.00 0.00 176.54 179.89 1a2y h ASN 27 N 0.00 0.74 -0.26 0.19 2.35 -1.64 -0.22 115.58 116.73 1a2y h ASN 27 Ca 0.12 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 1a2y h ASN 27 Cb 0.54 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1a2y h ASN 27 CO -0.00 0.50 -0.46 -0.50 -1.65 0.00 0.00 177.43 175.32 1a2y h TRP 28 N 0.87 1.01 -0.35 1.19 4.06 -1.55 -1.49 115.95 119.70 1a2y h TRP 28 Ca 0.30 -0.33 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 1a2y h TRP 28 Cb 0.06 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.00 1a2y h TRP 28 CO -0.04 1.13 -0.10 0.28 -3.56 0.00 0.00 178.44 176.15 1a2y h VAL 29 N 0.66 1.28 -0.63 1.49 2.07 -1.36 -2.49 116.25 117.27 1a2y h VAL 29 Ca 0.04 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1a2y h VAL 29 Cb 1.04 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1a2y h VAL 29 CO 0.10 0.38 0.38 0.00 0.02 0.00 0.00 177.57 178.45 1a2y h ALA 31 N 1.19 0.56 -0.89 0.00 0.00 -1.20 -2.50 119.26 116.42 1a2y h ALA 31 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a2y h ALA 31 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1a2y h ALA 31 CO -0.04 -0.02 0.51 0.00 0.00 0.00 0.00 179.25 179.70 1a2y h ALA 32 N 1.18 1.21 0.30 0.00 0.00 -1.16 -0.61 119.26 120.18 1a2y h ALA 32 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a2y h ALA 32 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1a2y h ALA 32 CO -0.05 0.65 -0.22 -0.22 0.00 0.00 0.00 179.25 179.40 1a2y h LYS 33 N 1.25 -0.51 0.00 0.00 1.63 -1.00 -1.09 116.57 116.85 1a2y h LYS 33 Ca 0.32 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 1a2y h LYS 33 Cb -0.00 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1a2y h LYS 33 CO -0.05 -0.34 -0.14 0.74 -3.45 0.00 0.00 179.45 176.20 1a2y h PHE 34 N -0.53 0.00 0.05 1.91 0.04 -1.30 -0.73 116.94 116.39 1a2y h PHE 34 Ca -0.02 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 1a2y h PHE 34 Cb 0.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1a2y h PHE 34 CO -0.12 0.14 -1.15 0.93 -0.60 0.00 0.00 178.31 177.51 1a2y h GLU 35 N 0.00 0.11 0.00 1.51 4.39 -1.00 -3.44 114.58 116.16 1a2y h GLU 35 Ca -0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1a2y h GLU 35 Cb 0.86 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1a2y h GLU 35 CO 0.02 1.09 0.00 -1.13 -1.16 0.00 0.00 179.01 177.83 1a2y n SER 36 N -4.21 0.61 -3.79 1.42 3.41 -0.46 -4.89 113.62 105.71 1a2y n SER 36 Ca -0.26 -1.06 -0.28 0.00 -0.26 0.00 0.00 58.87 57.02 1a2y n SER 36 Cb 0.76 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.75 1a2y n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a2y n ASN 37 N -0.03 -5.30 -0.58 4.04 4.05 -0.28 -1.61 115.26 115.56 1a2y n ASN 37 Ca 0.00 -0.69 -0.08 0.00 0.45 0.00 0.00 54.58 54.26 1a2y n ASN 37 Cb 0.14 -4.31 -0.03 0.00 1.23 0.00 0.00 39.78 36.80 1a2y n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1a2y n PHE 38 N -4.80 0.00 -3.26 1.20 3.72 -1.22 -4.85 117.46 108.26 1a2y n PHE 38 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1a2y n PHE 38 Cb 0.54 -2.07 -0.08 0.00 -0.94 0.00 0.00 39.48 36.93 1a2y n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1a2y s ASN 39 N -2.41 6.27 0.00 4.37 3.84 -0.63 -1.56 114.94 124.82 1a2y s ASN 39 Ca 0.00 -0.28 0.07 0.00 0.21 0.00 0.00 52.86 52.86 1a2y s ASN 39 Cb 0.00 -2.26 0.37 0.00 -0.55 0.00 0.00 41.25 38.81 1a2y s ASN 39 CO 0.00 -0.54 1.06 0.35 -2.79 0.00 0.00 177.10 175.18 1a2y n THR 40 N 5.48 0.76 -0.77 -5.21 -2.24 -0.22 -2.46 114.28 109.62 1a2y n THR 40 Ca -0.05 0.19 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 1a2y n THR 40 Cb 0.48 -1.07 0.06 0.00 -2.10 0.00 0.00 70.33 67.70 1a2y n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a2y n GLN 41 N -1.25 1.65 -1.96 -0.78 6.02 -1.26 -4.23 117.38 115.57 1a2y n GLN 41 Ca 0.04 -1.79 -0.38 0.00 -0.01 0.00 0.00 57.00 54.86 1a2y n GLN 41 Cb 0.05 -1.10 0.02 0.00 1.02 0.00 0.00 30.24 30.24 1a2y n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a2y s ALA 42 N -1.56 2.83 0.04 -1.58 0.00 -1.03 -4.78 121.76 115.69 1a2y s ALA 42 Ca 0.13 1.17 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 1a2y s ALA 42 Cb 0.12 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1a2y s ALA 42 CO 0.01 -1.12 0.10 0.95 0.00 0.00 0.00 175.76 175.70 1a2y s THR 43 N -1.41 0.13 -0.28 0.00 -4.23 -1.26 -1.24 115.64 107.36 1a2y s THR 43 Ca 0.70 -1.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.03 1a2y s THR 43 Cb -0.35 -0.95 0.14 0.00 1.34 0.00 0.00 72.50 72.68 1a2y s THR 43 CO 0.42 -0.61 0.58 0.21 -0.54 0.00 0.00 174.62 174.67 1a2y s ASN 44 N -2.20 -0.97 -0.29 3.99 2.47 -0.88 -4.94 114.94 112.12 1a2y s ASN 44 Ca -0.04 1.19 -0.23 0.00 0.42 0.00 0.00 52.86 54.20 1a2y s ASN 44 Cb -0.00 2.03 -0.00 0.00 -1.45 0.00 0.00 41.25 41.82 1a2y s ASN 44 CO -0.05 -0.24 0.76 -0.60 -3.72 0.00 0.00 177.10 173.25 1a2y s ARG 45 N 2.82 4.02 0.35 0.43 3.52 -1.26 -0.98 118.95 127.84 1a2y s ARG 45 Ca 0.04 0.63 -0.24 0.00 -0.13 0.00 0.00 55.73 56.03 1a2y s ARG 45 Cb -0.13 -3.70 -0.10 0.00 -1.56 0.00 0.00 34.95 29.46 1a2y s ARG 45 CO -0.18 -0.60 0.93 -0.80 -0.81 0.00 0.00 175.30 173.83 1a2y s ASN 46 N 1.55 7.19 0.33 -2.12 0.01 0.90 -4.95 114.94 117.85 1a2y s ASN 46 Ca 0.31 1.75 0.09 0.00 -0.71 0.00 0.00 52.86 54.31 1a2y s ASN 46 Cb -0.15 -2.55 0.84 0.00 0.41 0.00 0.00 41.25 39.80 1a2y s ASN 46 CO 0.11 -0.15 1.79 0.74 -1.51 0.00 0.00 177.10 178.08 1a2y h THR 47 N 2.40 0.68 0.00 1.60 2.02 -1.96 0.17 112.91 117.82 1a2y h THR 47 Ca -0.47 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1a2y h THR 47 Cb 1.19 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1a2y h THR 47 CO 0.64 0.12 0.00 -0.90 0.37 0.00 0.00 175.52 175.75 1a2y n ASP 48 N -4.71 0.00 0.00 4.18 5.68 -1.26 -4.83 116.55 115.61 1a2y n ASP 48 Ca 0.23 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1a2y n ASP 48 Cb 0.63 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1a2y n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a2y n GLY 49 N -0.52 1.52 3.96 6.12 0.00 0.59 -5.03 105.19 111.82 1a2y n GLY 49 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1a2y n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a2y s SER 50 N -1.59 5.50 0.01 1.61 1.04 -1.25 -4.79 113.70 114.23 1a2y s SER 50 Ca 0.00 0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1a2y s SER 50 Cb 0.00 -1.25 -0.02 0.00 0.10 0.00 0.00 66.02 64.86 1a2y s SER 50 CO 0.00 -0.99 -0.15 -0.89 0.98 0.00 0.00 173.24 172.19 1a2y s THR 51 N -2.74 1.22 -0.17 2.02 2.01 -1.26 -0.07 115.64 116.64 1a2y s THR 51 Ca 0.54 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 1a2y s THR 51 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1a2y s THR 51 CO 0.39 0.22 0.08 -1.81 -0.69 0.00 0.00 174.62 172.81 1a2y s ASP 52 N -0.69 5.80 -0.04 3.53 1.01 -0.15 -2.14 116.67 123.99 1a2y s ASP 52 Ca 0.05 0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.53 1a2y s ASP 52 Cb -0.07 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1a2y s ASP 52 CO 0.00 0.22 -0.23 -0.31 0.21 0.00 0.00 175.17 175.06 1a2y s TYR 53 N 0.11 2.44 0.02 4.23 1.51 -0.47 -2.08 117.35 123.12 1a2y s TYR 53 Ca 0.06 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1a2y s TYR 53 Cb -0.12 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 1a2y s TYR 53 CO 0.00 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 1a2y n GLY 54 N 2.55 -1.98 0.40 0.71 0.00 -0.37 -0.84 105.19 105.65 1a2y n GLY 54 Ca -0.17 -1.38 0.20 0.00 0.00 0.00 0.00 46.02 44.67 1a2y n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a2y h ILE 55 N -0.10 0.61 -0.28 -0.61 6.09 -1.73 -1.11 117.51 120.38 1a2y h ILE 55 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1a2y h ILE 55 Cb 0.09 0.11 0.00 0.00 0.47 0.00 0.00 36.82 37.49 1a2y h ILE 55 CO 0.00 0.08 0.00 0.18 -3.07 0.00 0.00 178.15 175.35 1a2y n LEU 56 N -4.60 3.44 -3.88 2.19 4.77 -1.26 -4.23 117.00 113.42 1a2y n LEU 56 Ca 0.23 -2.61 -0.39 0.00 -0.03 0.00 0.00 56.01 53.21 1a2y n LEU 56 Cb 0.76 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1a2y n LEU 56 CO 0.27 0.69 -0.12 0.00 -1.33 0.00 0.00 177.39 176.90 1a2y n GLN 57 N -0.15 -0.73 -2.24 3.23 1.13 -0.42 -4.91 117.38 113.30 1a2y n GLN 57 Ca 0.17 0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 55.09 1a2y n GLN 57 Cb 0.69 -3.28 -0.03 0.00 0.11 0.00 0.00 30.24 27.74 1a2y n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1a2y s ILE 58 N -3.48 3.50 0.19 5.09 -1.09 -0.02 -4.31 121.20 121.09 1a2y s ILE 58 Ca 0.47 1.08 -0.30 0.00 -2.23 0.00 0.00 60.65 59.67 1a2y s ILE 58 Cb -0.22 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1a2y s ILE 58 CO 0.92 0.08 1.00 0.21 -1.23 0.00 0.00 174.94 175.92 1a2y s ASN 59 N 1.09 7.47 0.00 3.58 3.84 -1.26 -1.37 114.94 128.29 1a2y s ASN 59 Ca 0.63 1.97 0.29 0.00 0.21 0.00 0.00 52.86 55.97 1a2y s ASN 59 Cb -0.35 -2.60 1.35 0.00 -0.55 0.00 0.00 41.25 39.10 1a2y s ASN 59 CO 0.30 -0.03 1.97 -1.54 -2.79 0.00 0.00 177.10 175.01 1a2y n SER 60 N 2.04 0.05 -0.03 -4.21 3.41 -0.91 -1.38 113.62 112.59 1a2y n SER 60 Ca 0.00 0.09 -0.01 0.00 -0.26 0.00 0.00 58.87 58.69 1a2y n SER 60 Cb 0.47 -0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 1a2y n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1a2y n ARG 61 N -1.36 0.66 -0.02 4.33 0.63 -1.26 -4.52 116.66 115.11 1a2y n ARG 61 Ca 0.11 0.04 -0.02 0.00 -0.92 0.00 0.00 57.85 57.06 1a2y n ARG 61 Cb 0.29 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.54 1a2y n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1a2y n TRP 62 N -2.70 0.00 -0.09 -0.14 7.02 -1.24 -0.79 117.44 119.51 1a2y n TRP 62 Ca -0.17 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.18 1a2y n TRP 62 Cb 0.90 -0.14 -0.08 0.00 -2.42 0.00 0.00 31.31 29.57 1a2y n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1a2y n TRP 63 N -2.44 0.00 -4.39 -5.99 7.02 -0.48 -0.72 117.44 110.44 1a2y n TRP 63 Ca -0.06 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.22 1a2y n TRP 63 Cb 0.58 -0.67 -0.10 0.00 -2.42 0.00 0.00 31.31 28.69 1a2y n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1a2y s ASN 65 N -3.39 4.67 0.00 0.00 3.84 -0.58 -4.19 114.94 115.28 1a2y s ASN 65 Ca 0.27 -0.22 0.09 0.00 0.21 0.00 0.00 52.86 53.21 1a2y s ASN 65 Cb 0.03 -1.78 0.23 0.00 -0.55 0.00 0.00 41.25 39.18 1a2y s ASN 65 CO 0.10 0.09 1.16 -0.90 -2.79 0.00 0.00 177.10 174.76 1a2y n ASP 66 N 4.07 2.64 -4.09 -4.21 5.75 -1.26 -1.49 116.55 117.97 1a2y n ASP 66 Ca -0.17 -1.92 -0.34 0.00 -0.01 0.00 0.00 54.79 52.35 1a2y n ASP 66 Cb 0.52 -0.17 -0.01 0.00 -1.03 0.00 0.00 41.12 40.43 1a2y n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a2y n GLY 67 N 0.37 -0.47 0.04 6.12 0.00 -1.26 -4.72 105.19 105.27 1a2y n GLY 67 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1a2y n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2y n ARG 68 N -4.44 0.00 -4.42 1.61 1.74 -1.26 -5.11 116.66 104.79 1a2y n ARG 68 Ca 0.07 -0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.80 1a2y n ARG 68 Cb 0.50 -0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.76 1a2y n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1a2y s THR 69 N 0.00 2.03 0.23 0.55 2.01 -1.26 -4.99 115.64 114.20 1a2y s THR 69 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 1a2y s THR 69 Cb 0.00 -1.81 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 1a2y s THR 69 CO 0.00 0.54 1.47 -2.84 -0.69 0.00 0.00 174.62 173.10 1a2y s PRO 70 N 1.04 4.25 0.00 4.92 0.02 -1.26 -2.99 135.00 140.98 1a2y s PRO 70 Ca -0.02 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1a2y s PRO 70 Cb -0.14 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1a2y s PRO 70 CO -0.07 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1a2y n GLY 71 N 2.57 0.43 3.67 0.52 0.00 -1.26 -4.98 105.19 106.15 1a2y n GLY 71 Ca 0.08 -0.79 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 1a2y n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a2y n SER 72 N 1.44 3.20 -0.09 1.61 2.88 -1.16 -4.84 113.62 116.67 1a2y n SER 72 Ca 0.00 1.06 -0.10 0.00 -1.33 0.00 0.00 58.87 58.51 1a2y n SER 72 Cb 0.00 -1.43 -0.14 0.00 -0.75 0.00 0.00 64.21 61.90 1a2y n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a2y n ARG 73 N 4.03 1.04 -3.95 -1.46 5.12 0.03 -5.00 116.66 116.47 1a2y n ARG 73 Ca 0.18 0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.83 1a2y n ARG 73 Cb 0.29 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.12 1a2y n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1a2y n ASN 74 N -2.71 -0.91 0.29 0.55 5.15 -1.13 -4.88 115.26 111.62 1a2y n ASN 74 Ca -0.30 -1.04 0.14 0.00 -0.60 0.00 0.00 54.58 52.78 1a2y n ASN 74 Cb 1.06 -2.93 0.88 0.00 -0.53 0.00 0.00 39.78 38.26 1a2y n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1a2y h LEU 75 N -1.87 0.00 0.00 1.20 4.07 -0.91 -1.22 115.31 116.59 1a2y h LEU 75 Ca -0.64 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1a2y h LEU 75 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1a2y h LEU 75 CO 0.61 0.02 -0.30 0.00 -1.08 0.00 0.00 178.44 177.69 1a2y n ASN 77 N -1.61 -6.92 -3.60 0.00 5.15 -0.46 -5.01 115.26 102.80 1a2y n ASN 77 Ca 0.06 -0.42 -0.12 0.00 -0.60 0.00 0.00 54.58 53.50 1a2y n ASN 77 Cb 0.35 -4.60 -0.06 0.00 -0.53 0.00 0.00 39.78 34.94 1a2y n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1a2y s ILE 78 N -3.12 0.00 0.26 -1.44 1.10 -1.26 -5.09 121.20 111.64 1a2y s ILE 78 Ca 0.14 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 59.99 1a2y s ILE 78 Cb -0.03 -1.00 -0.09 0.00 0.15 0.00 0.00 42.46 41.49 1a2y s ILE 78 CO 0.78 0.00 1.09 -2.16 -2.11 0.00 0.00 174.94 172.54 1a2y s PRO 79 N -0.24 4.64 0.58 3.50 0.04 -1.26 -1.53 135.00 140.73 1a2y s PRO 79 Ca -0.01 1.77 0.27 0.00 0.04 0.00 0.00 61.00 63.07 1a2y s PRO 79 Cb -0.03 -3.21 1.70 0.00 0.04 0.00 0.00 34.50 32.99 1a2y s PRO 79 CO 0.00 0.20 2.21 0.00 0.04 0.00 0.00 177.00 179.45 1a2y h SER 81 N 0.00 0.31 0.11 0.00 4.64 -1.92 -2.90 113.55 113.79 1a2y h SER 81 Ca 0.02 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1a2y h SER 81 Cb 0.11 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1a2y h SER 81 CO -0.00 0.63 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 1a2y n ALA 82 N -2.48 2.00 -0.22 5.18 0.00 -0.67 -2.75 120.51 121.57 1a2y n ALA 82 Ca -0.01 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1a2y n ALA 82 Cb 0.43 -1.25 0.25 0.00 0.00 0.00 0.00 19.45 18.88 1a2y n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a2y n LEU 83 N -1.11 3.55 -1.58 0.00 4.77 -1.10 -4.48 117.00 117.05 1a2y n LEU 83 Ca 0.10 -1.92 0.08 0.00 -0.03 0.00 0.00 56.01 54.24 1a2y n LEU 83 Cb 0.08 -0.37 0.36 0.00 -2.33 0.00 0.00 43.42 41.16 1a2y n LEU 83 CO 0.10 0.87 0.82 0.18 -1.33 0.00 0.00 177.39 178.03 1a2y n LEU 84 N 1.28 5.08 -4.77 2.23 4.77 -1.11 -4.35 117.00 120.12 1a2y n LEU 84 Ca 0.20 -2.83 -0.29 0.00 -0.03 0.00 0.00 56.01 53.06 1a2y n LEU 84 Cb 0.55 -0.62 0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1a2y n LEU 84 CO 0.14 0.68 0.72 -0.55 -1.33 0.00 0.00 177.39 177.04 1a2y s SER 85 N -1.07 3.06 0.27 -1.43 0.15 -1.26 -4.52 113.70 108.90 1a2y s SER 85 Ca 0.50 0.85 0.22 0.00 0.70 0.00 0.00 55.95 58.23 1a2y s SER 85 Cb 0.38 -1.33 0.10 0.00 -1.71 0.00 0.00 66.02 63.45 1a2y s SER 85 CO 0.16 -2.82 1.21 0.28 1.20 0.00 0.00 173.24 173.27 1a2y h SER 86 N -1.69 0.00 -3.54 5.45 0.02 -1.95 -3.44 113.55 108.41 1a2y h SER 86 Ca -0.49 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.85 1a2y h SER 86 Cb 1.32 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.74 1a2y h SER 86 CO 0.55 0.03 -0.06 -0.62 -1.14 0.00 0.00 176.83 175.60 1a2y s ASP 87 N -5.66 6.46 0.00 3.07 2.15 -1.26 -4.99 116.67 116.45 1a2y s ASP 87 Ca 0.02 0.55 0.27 0.00 0.43 0.00 0.00 52.55 53.82 1a2y s ASP 87 Cb 0.08 -2.27 1.58 0.00 -0.30 0.00 0.00 42.92 42.01 1a2y s ASP 87 CO 0.75 -0.22 2.02 2.30 -0.17 0.00 0.00 175.17 179.86 1a2y n ILE 88 N 4.86 0.01 -0.18 4.11 -5.35 -1.26 -4.48 119.36 117.06 1a2y n ILE 88 Ca -0.05 -0.02 -0.07 0.00 -0.27 0.00 0.00 62.75 62.33 1a2y n ILE 88 Cb 0.50 -0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 38.02 1a2y n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1a2y h THR 89 N 0.18 0.13 -0.26 7.28 2.02 -1.97 -0.95 112.91 119.35 1a2y h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1a2y h THR 89 Cb 0.04 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1a2y h THR 89 CO 0.00 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.02 1a2y h ALA 90 N 0.73 0.31 -0.64 6.16 0.00 -1.90 -0.96 119.26 122.97 1a2y h ALA 90 Ca 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1a2y h ALA 90 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1a2y h ALA 90 CO -0.65 -0.27 0.24 0.77 0.00 0.00 0.00 179.25 179.34 1a2y h SER 91 N 0.27 0.86 -0.51 0.00 0.02 -1.78 -2.29 113.55 110.13 1a2y h SER 91 Ca 0.11 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1a2y h SER 91 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1a2y h SER 91 CO -0.08 0.78 -0.16 0.58 -1.14 0.00 0.00 176.83 176.82 1a2y h VAL 92 N 0.92 1.27 -0.77 2.27 2.07 -0.83 -1.49 116.25 119.68 1a2y h VAL 92 Ca 0.21 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1a2y h VAL 92 Cb 0.20 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1a2y h VAL 92 CO -0.02 0.46 0.31 0.78 0.02 0.00 0.00 177.57 179.12 1a2y h ASN 93 N 0.87 1.05 -0.21 0.57 -0.26 -0.87 -1.66 115.58 115.08 1a2y h ASN 93 Ca 0.13 -0.16 -0.18 0.00 -0.56 0.00 0.00 56.30 55.52 1a2y h ASN 93 Cb 0.73 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1a2y h ASN 93 CO 0.06 0.93 -0.57 0.00 -1.06 0.00 0.00 177.43 176.79 1a2y h ALA 95 N 0.74 1.28 0.00 0.00 0.00 -0.94 -1.23 119.26 119.10 1a2y h ALA 95 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1a2y h ALA 95 Cb 1.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1a2y h ALA 95 CO 0.12 0.50 -0.24 0.87 0.00 0.00 0.00 179.25 180.50 1a2y h LYS 96 N 1.20 0.00 -0.01 0.00 1.57 -1.25 -1.95 116.57 116.14 1a2y h LYS 96 Ca 0.39 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.91 1a2y h LYS 96 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.34 1a2y h LYS 96 CO -0.13 0.24 -1.01 0.87 -0.57 0.00 0.00 179.45 178.85 1a2y h LYS 97 N 0.00 0.65 -0.51 3.15 1.57 -1.12 -3.31 116.57 117.00 1a2y h LYS 97 Ca -0.00 -0.69 -0.02 0.00 -1.87 0.00 0.00 60.65 58.06 1a2y h LYS 97 Cb 0.46 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1a2y h LYS 97 CO 0.03 1.28 0.23 0.82 -0.57 0.00 0.00 179.45 181.24 1a2y h ILE 98 N 0.37 1.20 -2.52 1.86 2.04 -1.06 -3.36 117.51 116.04 1a2y h ILE 98 Ca -0.12 -0.60 -0.71 0.00 1.00 0.00 0.00 64.86 64.43 1a2y h ILE 98 Cb 1.66 0.66 -0.19 0.00 -0.74 0.00 0.00 36.82 38.21 1a2y h ILE 98 CO 0.20 0.23 0.84 -0.69 0.00 0.00 0.00 178.15 178.72 1a2y s VAL 99 N -5.63 4.87 -0.73 1.67 1.01 -0.76 -4.82 120.40 116.02 1a2y s VAL 99 Ca -0.13 -1.84 0.24 0.00 0.00 0.00 0.00 61.98 60.26 1a2y s VAL 99 Cb 0.12 -4.77 0.04 0.00 0.00 0.00 0.00 36.38 31.77 1a2y s VAL 99 CO 0.77 -1.48 1.35 -1.54 0.00 0.00 0.00 175.10 174.20 1a2y n SER 100 N 6.12 0.63 -3.97 3.32 3.41 -1.26 -4.86 113.62 117.01 1a2y n SER 100 Ca 0.25 0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.79 1a2y n SER 100 Cb 0.48 0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 1a2y n SER 100 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1a2y s ASP 101 N -3.90 0.10 0.00 4.04 1.47 -1.26 -5.04 116.67 112.08 1a2y s ASP 101 Ca 0.07 -1.13 0.00 0.00 1.18 0.00 0.00 52.55 52.67 1a2y s ASP 101 Cb 0.14 0.53 0.00 0.00 -0.34 0.00 0.00 42.92 43.26 1a2y s ASP 101 CO 0.71 -1.07 0.76 0.61 0.68 0.00 0.00 175.17 176.87 1a2y n GLY 102 N -0.37 -0.29 0.48 2.12 0.00 -1.26 -0.96 105.19 104.91 1a2y n GLY 102 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1a2y n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a2y n ASN 103 N -1.26 2.58 0.31 1.61 3.02 -1.26 -4.82 115.26 115.43 1a2y n ASN 103 Ca 0.00 -1.91 0.20 0.00 -0.03 0.00 0.00 54.58 52.84 1a2y n ASN 103 Cb 0.13 -0.16 0.95 0.00 -0.61 0.00 0.00 39.78 40.09 1a2y n ASN 103 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1a2y h GLY 104 N 1.61 0.00 1.57 7.41 0.00 -1.41 -3.14 103.07 109.11 1a2y h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a2y h GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 1a2y n MET 105 N -3.07 0.16 0.05 4.80 2.81 -1.26 -1.91 117.12 118.70 1a2y n MET 105 Ca -0.01 0.18 0.06 0.00 -1.81 0.00 0.00 57.70 56.11 1a2y n MET 105 Cb 0.19 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.48 1a2y n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1a2y n ASN 106 N -1.28 0.20 0.28 7.83 3.02 -1.19 -1.95 115.26 122.17 1a2y n ASN 106 Ca 0.05 0.57 0.15 0.00 -0.03 0.00 0.00 54.58 55.32 1a2y n ASN 106 Cb 0.09 -0.60 0.82 0.00 -0.61 0.00 0.00 39.78 39.48 1a2y n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a2y h ALA 107 N 2.22 1.30 -2.91 5.41 0.00 -1.67 -3.38 119.26 120.22 1a2y h ALA 107 Ca 0.00 -0.07 -0.71 0.00 0.00 0.00 0.00 54.91 54.14 1a2y h ALA 107 Cb 0.15 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.66 1a2y h ALA 107 CO 0.00 0.09 -0.53 -1.58 0.00 0.00 0.00 179.25 177.23 1a2y s TRP 108 N -4.27 3.28 0.26 0.00 0.51 -0.82 -4.99 118.94 112.91 1a2y s TRP 108 Ca -0.03 -1.29 -0.04 0.00 -2.12 0.00 0.00 56.10 52.62 1a2y s TRP 108 Cb 0.13 -2.55 0.37 0.00 -0.81 0.00 0.00 33.47 30.61 1a2y s TRP 108 CO 0.56 -0.74 1.88 0.28 -0.51 0.00 0.00 176.95 178.42 1a2y h VAL 109 N 6.03 1.10 -0.51 4.03 2.07 -1.86 -1.55 116.25 125.56 1a2y h VAL 109 Ca -0.24 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1a2y h VAL 109 Cb 1.09 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1a2y h VAL 109 CO 0.68 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.77 1a2y h ALA 110 N 1.43 1.55 -0.12 1.67 0.00 -1.94 -0.61 119.26 121.23 1a2y h ALA 110 Ca 0.41 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1a2y h ALA 110 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a2y h ALA 110 CO -0.16 0.39 -0.08 2.35 0.00 0.00 0.00 179.25 181.75 1a2y h TRP 111 N 0.71 0.32 -0.48 0.00 7.01 -1.62 0.59 115.95 122.47 1a2y h TRP 111 Ca 0.18 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1a2y h TRP 111 Cb 0.00 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 1a2y h TRP 111 CO 0.00 0.63 0.28 -0.09 -2.79 0.00 0.00 178.44 176.47 1a2y h ARG 112 N -0.09 0.54 0.13 2.65 2.43 -1.03 0.15 114.38 119.16 1a2y h ARG 112 Ca 0.03 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1a2y h ARG 112 Cb 0.55 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1a2y h ARG 112 CO 0.02 0.35 -1.49 -0.91 -1.51 0.00 0.00 179.97 176.44 1a2y h ASN 113 N 0.55 0.45 0.00 -3.80 -0.26 -1.16 -3.37 115.58 107.99 1a2y h ASN 113 Ca 0.20 -0.58 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 1a2y h ASN 113 Cb 0.04 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1a2y h ASN 113 CO -0.10 1.47 -0.50 0.54 -1.06 0.00 0.00 177.43 177.79 1a2y n ARG 114 N -3.50 3.88 -0.05 0.81 1.74 0.20 -4.81 116.66 114.93 1a2y n ARG 114 Ca -0.15 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.81 1a2y n ARG 114 Cb 1.05 -0.91 -0.04 0.00 -1.02 0.00 0.00 32.46 31.53 1a2y n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a2y n LYS 116 N -3.29 2.55 -0.31 0.00 4.81 0.37 -1.73 118.16 120.57 1a2y n LYS 116 Ca -0.20 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1a2y n LYS 116 Cb 0.66 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1a2y n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a2y n GLY 117 N 3.88 0.68 3.68 3.14 0.00 -1.26 -4.89 105.19 110.42 1a2y n GLY 117 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1a2y n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a2y s THR 118 N -2.54 2.14 -1.32 2.61 -4.23 -0.70 -5.04 115.64 106.55 1a2y s THR 118 Ca 0.00 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1a2y s THR 118 Cb 0.00 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1a2y s THR 118 CO 0.00 0.00 1.83 -0.67 -0.54 0.00 0.00 174.62 175.24 1a2y n ASP 119 N -1.11 4.68 0.27 3.99 2.03 -1.26 -4.78 116.55 120.37 1a2y n ASP 119 Ca -0.03 -2.90 0.11 0.00 0.52 0.00 0.00 54.79 52.49 1a2y n ASP 119 Cb 0.66 -1.73 0.72 0.00 -0.72 0.00 0.00 41.12 40.05 1a2y n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1a2y h VAL 120 N 5.30 0.80 0.00 5.18 -1.51 -1.91 -1.74 116.25 122.38 1a2y h VAL 120 Ca 0.46 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.72 1a2y h VAL 120 Cb 0.83 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1a2y h VAL 120 CO 1.53 0.05 -0.03 -0.61 -1.23 0.00 0.00 177.57 177.29 1a2y h GLN 121 N 0.00 0.00 0.00 5.19 4.15 -1.87 -2.37 115.11 120.20 1a2y h GLN 121 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1a2y h GLN 121 Cb 0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1a2y h GLN 121 CO 0.01 0.03 -0.03 0.00 -1.93 0.00 0.00 178.83 176.91 1a2y h ALA 122 N 1.97 1.62 0.00 3.38 0.00 -1.72 -1.43 119.26 123.08 1a2y h ALA 122 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a2y h ALA 122 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a2y h ALA 122 CO 0.00 0.04 0.00 0.91 0.00 0.00 0.00 179.25 180.20 1a2y n TRP 123 N -4.02 0.42 -0.03 0.00 7.02 -0.89 -3.80 117.44 116.15 1a2y n TRP 123 Ca -0.03 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 1a2y n TRP 123 Cb 0.11 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.26 1a2y n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1a2y n ILE 124 N -1.87 0.00 -2.17 -0.99 -5.35 -0.57 -4.77 119.36 103.64 1a2y n ILE 124 Ca 0.04 -0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 1a2y n ILE 124 Cb 0.26 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 1a2y n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1a2y s ARG 125 N -0.64 4.35 0.00 6.28 0.52 -1.04 -2.23 118.95 126.18 1a2y s ARG 125 Ca 0.00 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 57.31 1a2y s ARG 125 Cb 0.00 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1a2y s ARG 125 CO 0.00 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.39 1a2y n GLY 126 N 2.77 0.85 3.67 -3.53 0.00 -1.26 -5.03 105.19 102.65 1a2y n GLY 126 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1a2y n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2y s ARG 128 N 1.67 2.47 0.00 0.00 3.00 -1.26 -5.11 118.95 119.72 1a2y s ARG 128 Ca 0.28 -0.61 0.23 0.00 0.00 0.00 0.00 55.73 55.63 1a2y s ARG 128 Cb -0.16 -5.12 0.18 0.00 0.00 0.00 0.00 34.95 29.85 1a2y s ARG 128 CO 0.11 -3.70 1.23 1.28 0.00 0.00 0.00 175.30 174.22