#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ymr s GLU 2 N 0.00 4.22 0.68 -1.58 2.12 -1.26 -5.00 118.70 117.88 1ymr s GLU 2 Ca 0.00 2.37 -0.12 0.00 0.36 0.00 0.00 54.97 57.58 1ymr s GLU 2 Cb 0.00 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1ymr s GLU 2 CO 0.00 -0.57 1.06 0.95 -0.54 0.00 0.00 175.26 176.16 1ymr s THR 3 N 0.83 3.87 0.42 -1.70 -4.23 -1.26 -4.82 115.64 108.74 1ymr s THR 3 Ca 0.67 0.68 0.08 0.00 -1.18 0.00 0.00 61.69 61.95 1ymr s THR 3 Cb -0.44 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.34 1ymr s THR 3 CO 0.35 -0.72 2.07 0.00 -0.54 0.00 0.00 174.62 175.78 1ymr h ALA 4 N -0.45 1.74 -0.43 3.99 0.00 -1.94 0.42 119.26 122.59 1ymr h ALA 4 Ca -0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1ymr h ALA 4 Cb 1.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ymr h ALA 4 CO 0.56 0.24 0.02 0.00 0.00 0.00 0.00 179.25 180.06 1ymr h ALA 5 N 1.77 0.58 -0.46 0.00 0.00 -1.89 -1.47 119.26 117.79 1ymr h ALA 5 Ca 0.14 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1ymr h ALA 5 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ymr h ALA 5 CO -0.03 0.36 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 1ymr h ALA 6 N 0.91 0.63 -0.68 0.00 0.00 -1.68 -2.22 119.26 116.22 1ymr h ALA 6 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ymr h ALA 6 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ymr h ALA 6 CO 0.02 0.57 0.39 -0.22 0.00 0.00 0.00 179.25 180.00 1ymr h LYS 7 N 0.75 0.94 -0.66 0.00 3.64 -0.81 -0.08 116.57 120.35 1ymr h LYS 7 Ca 0.11 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1ymr h LYS 7 Cb 0.72 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1ymr h LYS 7 CO 0.05 0.70 0.40 0.35 -2.27 0.00 0.00 179.45 178.68 1ymr h PHE 8 N 0.93 0.74 -0.14 1.91 3.04 -1.10 0.17 116.94 122.50 1ymr h PHE 8 Ca 0.24 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 1ymr h PHE 8 Cb 0.02 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1ymr h PHE 8 CO -0.01 0.40 0.05 0.93 -2.02 0.00 0.00 178.31 177.67 1ymr h GLU 9 N 0.77 0.22 -0.76 1.11 5.08 -0.76 0.24 114.58 120.47 1ymr h GLU 9 Ca 0.28 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1ymr h GLU 9 Cb 0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1ymr h GLU 9 CO -0.13 0.33 0.36 -0.09 -1.00 0.00 0.00 179.01 178.48 1ymr h ARG 10 N 0.06 1.09 0.00 2.33 2.43 -0.73 -1.31 114.38 118.25 1ymr h ARG 10 Ca 0.05 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1ymr h ARG 10 Cb 0.20 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ymr h ARG 10 CO -0.00 0.84 -0.70 1.96 -1.51 0.00 0.00 179.97 180.56 1ymr h GLN 11 N 1.08 0.00 0.00 0.20 4.20 -0.44 -3.42 115.11 116.73 1ymr h GLN 11 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1ymr h GLN 11 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1ymr h GLN 11 CO -0.03 0.13 -0.18 0.72 -0.67 0.00 0.00 178.83 178.79 1ymr n HIS 12 N -2.92 0.00 -3.71 2.96 8.25 0.82 -4.74 115.22 115.88 1ymr n HIS 12 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1ymr n HIS 12 Cb 0.62 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.67 1ymr n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ymr s MET 13 N -0.63 3.80 -0.38 -0.41 -1.94 -0.50 -0.16 119.30 119.08 1ymr s MET 13 Ca 0.00 0.02 0.11 0.00 -1.71 0.00 0.00 55.69 54.11 1ymr s MET 13 Cb 0.00 -3.27 0.34 0.00 2.01 0.00 0.00 34.83 33.91 1ymr s MET 13 CO 0.00 0.60 0.75 -3.47 -0.01 0.00 0.00 175.02 172.89 1ymr n ASP 14 N 2.44 0.58 0.25 3.03 2.03 0.28 -4.83 116.55 120.33 1ymr n ASP 14 Ca -0.17 -3.05 0.09 0.00 0.52 0.00 0.00 54.79 52.19 1ymr n ASP 14 Cb 0.53 -0.44 0.63 0.00 -0.72 0.00 0.00 41.12 41.13 1ymr n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ymr h SER 15 N 3.04 0.00 0.56 1.67 0.02 -1.73 -3.07 113.55 114.04 1ymr h SER 15 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ymr h SER 15 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1ymr h SER 15 CO 0.47 0.13 0.00 -1.20 -1.14 0.00 0.00 176.83 175.09 1ymr n SER 16 N -4.08 0.00 -4.19 3.07 7.64 -1.26 -4.71 113.62 110.10 1ymr n SER 16 Ca -0.02 0.49 -0.21 0.00 1.01 0.00 0.00 58.87 60.13 1ymr n SER 16 Cb 0.21 -0.49 -0.13 0.00 -1.01 0.00 0.00 64.21 62.78 1ymr n SER 16 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ymr s THR 17 N -2.99 1.29 -0.45 0.44 -4.23 -1.16 -5.04 115.64 103.50 1ymr s THR 17 Ca 0.08 -1.17 0.23 0.00 -1.18 0.00 0.00 61.69 59.65 1ymr s THR 17 Cb 0.11 -1.17 0.34 0.00 1.34 0.00 0.00 72.50 73.11 1ymr s THR 17 CO 0.30 -0.02 1.61 0.77 -0.54 0.00 0.00 174.62 176.74 1ymr h SER 18 N 4.67 0.00 -5.87 3.99 4.64 -1.85 -3.44 113.55 115.70 1ymr h SER 18 Ca -0.41 -0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.27 1ymr h SER 18 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 1ymr h SER 18 CO 0.42 0.00 0.91 0.00 -0.87 0.00 0.00 176.83 177.29 1ymr s ALA 19 N -3.21 -2.44 0.63 5.18 0.00 -1.26 -4.84 121.76 115.83 1ymr s ALA 19 Ca 0.07 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 1ymr s ALA 19 Cb 0.05 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1ymr s ALA 19 CO 0.67 -1.10 1.15 0.00 0.00 0.00 0.00 175.76 176.48 1ymr s ALA 20 N -2.15 2.47 -0.03 0.00 0.00 -1.26 -4.98 121.76 115.81 1ymr s ALA 20 Ca 0.21 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1ymr s ALA 20 Cb 0.03 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1ymr s ALA 20 CO -0.03 -1.25 1.02 -1.13 0.00 0.00 0.00 175.76 174.37 1ymr n SER 21 N -2.03 2.07 -3.61 0.00 3.41 -1.26 -5.06 113.62 107.14 1ymr n SER 21 Ca 0.12 -2.14 -0.01 0.00 -0.26 0.00 0.00 58.87 56.58 1ymr n SER 21 Cb 0.51 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1ymr n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ymr s SER 22 N -1.24 -0.09 0.10 4.04 1.04 -1.26 -5.00 113.70 111.29 1ymr s SER 22 Ca 0.05 -0.08 0.16 0.00 0.48 0.00 0.00 55.95 56.55 1ymr s SER 22 Cb 0.04 0.15 0.68 0.00 0.10 0.00 0.00 66.02 66.99 1ymr s SER 22 CO 0.01 -0.27 1.49 -1.54 0.98 0.00 0.00 173.24 173.91 1ymr n SER 23 N -0.32 0.23 -1.03 7.02 3.41 -1.26 -2.30 113.62 119.37 1ymr n SER 23 Ca -0.05 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1ymr n SER 23 Cb 0.61 -0.61 0.27 0.00 -0.26 0.00 0.00 64.21 64.21 1ymr n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ymr n ASN 24 N -1.76 3.03 -0.16 4.04 3.02 -1.26 -4.32 115.26 117.86 1ymr n ASN 24 Ca 0.02 -1.94 -0.02 0.00 -0.03 0.00 0.00 54.58 52.61 1ymr n ASN 24 Cb 0.16 -0.28 0.06 0.00 -0.61 0.00 0.00 39.78 39.10 1ymr n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ymr h TYR 25 N 3.68 -0.03 -0.40 3.10 3.20 -1.86 -1.83 116.97 122.84 1ymr h TYR 25 Ca 0.00 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1ymr h TYR 25 Cb 0.82 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1ymr h TYR 25 CO 0.28 -0.11 -0.10 0.00 -1.64 0.00 0.00 178.16 176.59 1ymr h ASN 27 N 0.59 0.66 0.06 0.00 2.35 -1.72 -1.13 115.58 116.39 1ymr h ASN 27 Ca 0.10 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1ymr h ASN 27 Cb 0.63 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1ymr h ASN 27 CO 0.04 0.42 -0.03 1.56 -1.65 0.00 0.00 177.43 177.78 1ymr h GLN 28 N 0.79 -0.08 -0.31 0.81 4.20 -0.99 -3.06 115.11 116.48 1ymr h GLN 28 Ca 0.33 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.99 1ymr h GLN 28 Cb 0.18 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1ymr h GLN 28 CO -0.18 0.26 0.00 0.52 -0.67 0.00 0.00 178.83 178.76 1ymr h MET 29 N -0.42 0.54 -0.78 1.46 2.86 -0.70 -1.41 114.93 116.48 1ymr h MET 29 Ca -0.01 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1ymr h MET 29 Cb 0.37 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1ymr h MET 29 CO 0.01 0.68 0.52 0.52 1.06 0.00 0.00 176.91 179.70 1ymr h MET 30 N 0.34 0.91 -0.00 1.72 2.86 -1.32 -0.02 114.93 119.41 1ymr h MET 30 Ca 0.09 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ymr h MET 30 Cb 0.44 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ymr h MET 30 CO 0.02 0.61 -0.01 -0.22 1.06 0.00 0.00 176.91 178.36 1ymr h LYS 31 N 0.94 0.01 0.00 1.72 3.64 -1.42 -0.37 116.57 121.09 1ymr h LYS 31 Ca 0.32 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1ymr h LYS 31 Cb 0.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ymr h LYS 31 CO -0.10 0.67 -0.12 0.66 -2.27 0.00 0.00 179.45 178.30 1ymr h SER 32 N -0.65 0.00 -0.43 4.20 4.64 -1.08 -2.45 113.55 117.78 1ymr h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ymr h SER 32 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1ymr h SER 32 CO 0.00 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 1ymr n ARG 33 N -3.30 2.05 -3.05 4.77 5.12 -0.04 -4.93 116.66 117.28 1ymr n ARG 33 Ca -0.00 -1.62 -0.20 0.00 -1.93 0.00 0.00 57.85 54.10 1ymr n ARG 33 Cb 0.34 -1.36 0.04 0.00 -1.16 0.00 0.00 32.46 30.32 1ymr n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ymr n ASN 34 N 0.82 -5.68 -1.49 0.55 3.02 -0.92 -4.85 115.26 106.70 1ymr n ASN 34 Ca 0.15 -0.30 0.08 0.00 -0.03 0.00 0.00 54.58 54.48 1ymr n ASN 34 Cb 0.39 -4.46 0.32 0.00 -0.61 0.00 0.00 39.78 35.42 1ymr n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ymr n LEU 35 N -3.79 4.42 0.00 3.41 4.77 -0.15 -4.27 117.00 121.39 1ymr n LEU 35 Ca -0.08 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1ymr n LEU 35 Cb 0.60 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ymr n LEU 35 CO 0.45 0.69 0.30 0.35 -1.33 0.00 0.00 177.39 177.85 1ymr n THR 36 N 0.88 0.32 0.00 -5.08 -2.24 -1.24 -2.74 114.28 104.18 1ymr n THR 36 Ca 0.23 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ymr n THR 36 Cb 0.86 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 1ymr n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ymr n LYS 37 N -0.16 0.00 0.02 -0.78 4.76 -1.26 -3.91 118.16 116.83 1ymr n LYS 37 Ca 0.00 0.73 0.09 0.00 -2.87 0.00 0.00 58.31 56.26 1ymr n LYS 37 Cb 0.35 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 32.00 1ymr n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ymr n ASP 38 N -2.34 0.32 -3.63 4.39 8.00 -1.26 -4.60 116.55 117.43 1ymr n ASP 38 Ca 0.00 0.13 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1ymr n ASP 38 Cb 0.00 1.34 -0.07 0.00 -0.02 0.00 0.00 41.12 42.37 1ymr n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ymr s ARG 39 N -3.38 0.81 -0.49 -1.24 3.00 -1.25 -4.89 118.95 111.50 1ymr s ARG 39 Ca -0.05 0.74 -0.28 0.00 -1.00 0.00 0.00 55.73 55.13 1ymr s ARG 39 Cb 0.12 0.39 0.00 0.00 0.00 0.00 0.00 34.95 35.46 1ymr s ARG 39 CO 0.86 -0.14 1.54 0.00 0.00 0.00 0.00 175.30 177.56 1ymr n LYS 41 N 8.55 2.53 -0.34 0.00 4.81 -1.11 -4.87 118.16 127.73 1ymr n LYS 41 Ca 0.16 0.92 -0.01 0.00 -0.87 0.00 0.00 58.31 58.50 1ymr n LYS 41 Cb 0.49 -2.75 0.11 0.00 0.02 0.00 0.00 35.03 32.90 1ymr n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1ymr h PRO 42 N 7.25 1.15 -3.17 1.64 0.11 -1.93 -3.41 132.00 133.65 1ymr h PRO 42 Ca -0.45 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1ymr h PRO 42 Cb 1.23 -0.26 -0.22 0.00 0.11 0.00 0.00 31.00 31.86 1ymr h PRO 42 CO 0.93 0.76 -0.37 0.54 -0.21 0.00 0.00 178.00 179.66 1ymr s VAL 43 N -6.10 0.05 -0.26 3.15 0.11 -1.26 -0.58 120.40 115.50 1ymr s VAL 43 Ca -0.13 -0.40 -0.25 0.00 -2.93 0.00 0.00 61.98 58.27 1ymr s VAL 43 Cb 0.18 -0.50 0.09 0.00 -1.53 0.00 0.00 36.38 34.61 1ymr s VAL 43 CO 0.80 -0.22 0.84 0.21 -3.33 0.00 0.00 175.10 173.40 1ymr s ASN 44 N -0.92 -0.63 -0.03 3.54 2.47 -0.37 -5.01 114.94 113.99 1ymr s ASN 44 Ca -0.10 1.19 0.07 0.00 0.42 0.00 0.00 52.86 54.44 1ymr s ASN 44 Cb -0.05 1.19 -0.02 0.00 -1.45 0.00 0.00 41.25 40.92 1ymr s ASN 44 CO 0.02 -0.23 -0.24 -0.89 -3.72 0.00 0.00 177.10 172.04 1ymr s THR 45 N 0.23 2.17 -0.09 -5.21 2.01 -1.26 -0.69 115.64 112.79 1ymr s THR 45 Ca 0.01 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1ymr s THR 45 Cb -0.05 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1ymr s THR 45 CO -0.01 0.58 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.04 1ymr s PHE 46 N -0.53 2.86 -0.22 4.92 0.08 -0.66 -4.46 117.98 119.97 1ymr s PHE 46 Ca 0.07 -0.20 -0.07 0.00 0.12 0.00 0.00 56.93 56.85 1ymr s PHE 46 Cb -0.11 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1ymr s PHE 46 CO 0.00 0.13 0.07 0.08 -0.10 0.00 0.00 175.22 175.40 1ymr s VAL 47 N -0.39 4.58 -1.04 -0.44 1.01 0.77 -0.86 120.40 124.03 1ymr s VAL 47 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ymr s VAL 47 Cb -0.12 -3.10 0.32 0.00 0.00 0.00 0.00 36.38 33.47 1ymr s VAL 47 CO 0.02 0.39 1.80 1.41 0.00 0.00 0.00 175.10 178.73 1ymr n HIS 48 N 4.24 2.72 -4.16 5.22 8.25 0.22 -0.55 115.22 131.15 1ymr n HIS 48 Ca -0.16 -2.56 -0.10 0.00 -0.26 0.00 0.00 57.72 54.63 1ymr n HIS 48 Cb 0.52 -1.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.32 1ymr n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ymr s GLU 49 N -4.18 0.95 0.73 -0.41 0.41 -1.26 -4.50 118.70 110.43 1ymr s GLU 49 Ca 0.38 -1.45 -0.14 0.00 -0.41 0.00 0.00 54.97 53.36 1ymr s GLU 49 Cb 0.18 0.14 0.04 0.00 -1.78 0.00 0.00 34.13 32.71 1ymr s GLU 49 CO -0.11 -0.23 1.15 -1.54 -0.49 0.00 0.00 175.26 174.04 1ymr s SER 50 N -3.07 4.43 0.31 -0.19 1.04 -1.26 -4.19 113.70 110.77 1ymr s SER 50 Ca 0.23 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1ymr s SER 50 Cb 0.07 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 64.12 1ymr s SER 50 CO 0.02 -2.09 1.88 0.25 0.98 0.00 0.00 173.24 174.27 1ymr h LEU 51 N -0.44 0.72 -0.49 2.42 5.85 -1.97 -1.84 115.31 119.55 1ymr h LEU 51 Ca -0.46 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.17 1ymr h LEU 51 Cb 1.27 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1ymr h LEU 51 CO 0.51 0.67 0.32 0.00 -0.34 0.00 0.00 178.44 179.60 1ymr h ALA 52 N 1.43 0.63 -0.53 1.25 0.00 -1.99 0.34 119.26 120.38 1ymr h ALA 52 Ca 0.18 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ymr h ALA 52 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ymr h ALA 52 CO -0.01 0.05 0.07 -0.44 0.00 0.00 0.00 179.25 178.91 1ymr h ASP 53 N 0.64 0.86 -0.48 0.00 5.19 -1.79 -2.13 116.42 118.71 1ymr h ASP 53 Ca 0.19 -0.27 -0.12 0.00 -0.62 0.00 0.00 57.03 56.20 1ymr h ASP 53 Cb -0.05 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 1ymr h ASP 53 CO -0.05 0.92 -0.18 0.58 -3.12 0.00 0.00 179.24 177.39 1ymr h VAL 54 N 0.77 1.27 -0.53 -1.35 2.07 -1.00 -2.84 116.25 114.64 1ymr h VAL 54 Ca 0.16 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1ymr h VAL 54 Cb 0.44 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1ymr h VAL 54 CO 0.01 0.46 0.18 1.56 0.02 0.00 0.00 177.57 179.81 1ymr h GLN 55 N 0.86 0.77 0.00 1.57 4.20 -0.86 -2.34 115.11 119.31 1ymr h GLN 55 Ca 0.12 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ymr h GLN 55 Cb 0.74 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1ymr h GLN 55 CO 0.06 0.66 -0.00 0.00 -0.67 0.00 0.00 178.83 178.87 1ymr h ALA 56 N 1.44 1.49 -0.06 3.87 0.00 -1.13 -2.16 119.26 122.71 1ymr h ALA 56 Ca 0.18 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ymr h ALA 56 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ymr h ALA 56 CO -0.01 0.00 0.10 0.28 0.00 0.00 0.00 179.25 179.62 1ymr h VAL 57 N 0.00 0.35 0.00 0.00 2.07 -1.41 -2.32 116.25 114.94 1ymr h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ymr h VAL 57 Cb 0.01 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1ymr h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1ymr n SER 59 N -1.85 2.45 -1.42 0.00 3.41 -0.87 -4.98 113.62 110.36 1ymr n SER 59 Ca 0.03 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1ymr n SER 59 Cb 0.19 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1ymr n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ymr n GLN 60 N -0.53 2.90 -1.65 4.33 6.02 -0.50 -4.96 117.38 123.00 1ymr n GLN 60 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 1ymr n GLN 60 Cb 0.44 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 1ymr n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1ymr s LYS 61 N 1.89 2.95 -0.11 -1.09 2.20 -1.21 -4.85 119.74 119.51 1ymr s LYS 61 Ca 0.00 1.82 -0.30 0.00 -0.36 0.00 0.00 55.97 57.14 1ymr s LYS 61 Cb 0.00 -4.40 -0.03 0.00 -1.51 0.00 0.00 37.83 31.90 1ymr s LYS 61 CO 0.00 -2.31 1.28 1.21 -0.36 0.00 0.00 175.35 175.17 1ymr s ASN 62 N 8.79 6.95 0.26 1.43 3.04 -1.26 -0.37 114.94 133.78 1ymr s ASN 62 Ca 0.97 1.80 0.01 0.00 0.04 0.00 0.00 52.86 55.69 1ymr s ASN 62 Cb -0.29 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 36.83 1ymr s ASN 62 CO 0.33 -0.71 0.09 0.68 -3.04 0.00 0.00 177.10 174.45 1ymr s VAL 63 N 3.04 0.58 0.07 -5.21 -7.23 0.12 -4.95 120.40 106.82 1ymr s VAL 63 Ca 0.57 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.52 1ymr s VAL 63 Cb -0.24 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 1ymr s VAL 63 CO 0.19 -0.01 0.68 0.00 -0.31 0.00 0.00 175.10 175.65 1ymr s ALA 64 N -3.74 3.47 0.99 1.32 0.00 -1.26 -2.26 121.76 120.29 1ymr s ALA 64 Ca 0.38 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1ymr s ALA 64 Cb 0.08 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 20.55 1ymr s ALA 64 CO 0.14 0.23 1.09 0.00 0.00 0.00 0.00 175.76 177.21 1ymr h LYS 66 N -1.90 0.00 -0.01 0.00 2.10 -1.92 -0.94 116.57 113.90 1ymr h LYS 66 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1ymr h LYS 66 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1ymr h LYS 66 CO 0.56 0.05 -0.13 0.27 -2.00 0.00 0.00 179.45 178.20 1ymr n ASN 67 N -3.28 0.79 0.00 7.07 0.23 -1.26 -4.93 115.26 113.88 1ymr n ASN 67 Ca -0.01 -0.85 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1ymr n ASN 67 Cb 0.23 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 1ymr n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ymr n GLY 68 N 1.27 2.21 3.61 4.83 0.00 -0.36 -5.06 105.19 111.69 1ymr n GLY 68 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1ymr n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ymr n GLN 69 N -1.74 1.48 0.00 1.61 6.02 -1.26 -4.55 117.38 118.93 1ymr n GLN 69 Ca 0.00 0.52 0.14 0.00 -0.01 0.00 0.00 57.00 57.65 1ymr n GLN 69 Cb 0.00 -1.95 0.57 0.00 1.02 0.00 0.00 30.24 29.87 1ymr n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ymr n THR 70 N 0.12 0.00 -1.19 5.09 -2.24 -1.26 -0.59 114.28 114.21 1ymr n THR 70 Ca 0.09 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1ymr n THR 70 Cb 0.34 -0.22 0.09 0.00 -2.10 0.00 0.00 70.33 68.44 1ymr n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ymr n ASN 71 N -1.28 6.71 -4.90 3.42 6.94 -1.26 -4.64 115.26 120.24 1ymr n ASN 71 Ca 0.10 -3.60 -0.28 0.00 -0.02 0.00 0.00 54.58 50.79 1ymr n ASN 71 Cb 0.30 -0.96 -0.04 0.00 -2.36 0.00 0.00 39.78 36.73 1ymr n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ymr s TYR 73 N -1.64 0.09 -0.10 0.00 1.51 0.46 0.11 117.35 117.78 1ymr s TYR 73 Ca 0.34 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1ymr s TYR 73 Cb -0.12 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 1ymr s TYR 73 CO 0.27 -0.02 0.03 -1.14 -1.11 0.00 0.00 175.55 173.57 1ymr s GLN 74 N 0.22 3.17 0.29 -0.62 0.74 0.50 -1.63 119.66 122.33 1ymr s GLN 74 Ca -0.02 -0.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 1ymr s GLN 74 Cb -0.03 -2.90 -0.10 0.00 1.10 0.00 0.00 33.01 31.09 1ymr s GLN 74 CO -0.01 0.66 1.10 -1.54 -0.55 0.00 0.00 175.29 174.95 1ymr s SER 75 N -0.74 7.22 0.12 6.67 1.04 -0.17 -3.31 113.70 124.52 1ymr s SER 75 Ca 0.12 2.26 -0.12 0.00 0.48 0.00 0.00 55.95 58.69 1ymr s SER 75 Cb -0.12 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.29 1ymr s SER 75 CO 0.02 -0.17 1.40 1.88 0.98 0.00 0.00 173.24 177.35 1ymr h TYR 76 N 3.72 1.08 -2.85 5.02 0.05 -1.96 -3.43 116.97 118.60 1ymr h TYR 76 Ca -0.47 -0.38 -0.50 0.00 0.05 0.00 0.00 58.73 57.44 1ymr h TYR 76 Cb 1.21 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1ymr h TYR 76 CO 0.59 1.20 -0.23 -1.12 -1.05 0.00 0.00 178.16 177.55 1ymr s SER 77 N -6.90 6.35 0.82 3.88 0.01 -1.26 -5.05 113.70 111.55 1ymr s SER 77 Ca -0.11 0.46 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 1ymr s SER 77 Cb 0.10 -2.04 0.09 0.00 0.21 0.00 0.00 66.02 64.38 1ymr s SER 77 CO 0.88 -0.20 1.14 0.42 0.41 0.00 0.00 173.24 175.89 1ymr s THR 78 N -2.14 2.45 0.02 1.44 -4.23 -1.26 -4.54 115.64 107.38 1ymr s THR 78 Ca 0.40 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1ymr s THR 78 Cb -0.10 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1ymr s THR 78 CO 0.33 -0.19 -0.00 -0.04 -0.54 0.00 0.00 174.62 174.18 1ymr s MET 79 N -5.36 0.37 -0.06 3.99 -1.94 0.10 -4.88 119.30 111.53 1ymr s MET 79 Ca 0.62 -0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 53.66 1ymr s MET 79 Cb -0.13 0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.81 1ymr s MET 79 CO 0.52 -0.07 1.29 0.45 -0.01 0.00 0.00 175.02 177.20 1ymr s SER 80 N -1.59 6.96 0.11 3.03 0.15 -1.26 -1.57 113.70 119.53 1ymr s SER 80 Ca -0.14 1.90 -0.01 0.00 0.70 0.00 0.00 55.95 58.40 1ymr s SER 80 Cb -0.08 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1ymr s SER 80 CO -0.01 -0.66 0.02 0.27 1.20 0.00 0.00 173.24 174.05 1ymr s ILE 81 N 2.53 0.18 -0.09 6.45 -4.36 -0.17 -0.61 121.20 125.13 1ymr s ILE 81 Ca 0.59 -1.88 -0.00 0.00 -0.26 0.00 0.00 60.65 59.09 1ymr s ILE 81 Cb -0.26 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1ymr s ILE 81 CO 0.22 -0.64 -0.06 -0.89 0.24 0.00 0.00 174.94 173.81 1ymr s THR 82 N -3.98 0.85 -0.04 8.37 2.01 -0.04 -1.05 115.64 121.76 1ymr s THR 82 Ca 0.18 -0.20 -0.19 0.00 0.31 0.00 0.00 61.69 61.80 1ymr s THR 82 Cb 0.08 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1ymr s THR 82 CO -0.02 0.33 0.53 -1.81 -0.69 0.00 0.00 174.62 172.96 1ymr s ASP 83 N 1.60 6.85 -0.16 3.53 1.01 0.38 -1.66 116.67 128.23 1ymr s ASP 83 Ca 0.02 1.02 0.01 0.00 0.71 0.00 0.00 52.55 54.30 1ymr s ASP 83 Cb -0.13 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.49 1ymr s ASP 83 CO -0.06 0.10 -0.18 0.00 0.21 0.00 0.00 175.17 175.24 1ymr s ARG 85 N 0.91 2.26 0.32 0.00 6.06 -0.81 -1.24 118.95 126.45 1ymr s ARG 85 Ca -0.04 -0.57 -0.29 0.00 -2.50 0.00 0.00 55.73 52.34 1ymr s ARG 85 Cb -0.15 -2.11 -0.10 0.00 0.06 0.00 0.00 34.95 32.65 1ymr s ARG 85 CO -0.03 -0.25 1.27 -2.00 -2.50 0.00 0.00 175.30 171.79 1ymr s GLU 86 N 1.49 4.41 0.00 5.12 -6.30 0.26 -0.33 118.70 123.34 1ymr s GLU 86 Ca 0.05 2.13 0.00 0.00 -2.50 0.00 0.00 54.97 54.65 1ymr s GLU 86 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.90 1ymr s GLU 86 CO -0.11 -0.11 0.00 0.25 0.02 0.00 0.00 175.26 175.31 1ymr n THR 87 N 0.95 0.00 0.00 -1.70 -2.24 -0.20 -4.88 114.28 106.21 1ymr n THR 87 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ymr n THR 87 Cb 0.42 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1ymr n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ymr n GLY 88 N 5.00 1.49 0.00 3.38 0.00 -1.26 -4.85 105.19 108.96 1ymr n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ymr n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ymr n SER 89 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.77 113.62 116.84 1ymr n SER 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ymr n SER 89 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ymr n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ymr n SER 90 N 0.00 0.00 -3.75 6.43 3.41 -1.26 -5.03 113.62 113.42 1ymr n SER 90 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1ymr n SER 90 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1ymr n SER 90 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ymr s LYS 91 N 0.00 0.13 0.28 4.33 -0.14 -1.18 -4.90 119.74 118.27 1ymr s LYS 91 Ca 0.00 0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.55 1ymr s LYS 91 Cb 0.00 -0.52 -0.15 0.00 -1.68 0.00 0.00 37.83 35.48 1ymr s LYS 91 CO 0.00 -0.24 0.83 0.00 -0.76 0.00 0.00 175.35 175.18 1ymr n ALA 92 N 4.74 -1.11 0.02 5.17 0.00 -1.26 -0.65 120.51 127.42 1ymr n ALA 92 Ca -0.15 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1ymr n ALA 92 Cb 0.50 -1.88 0.16 0.00 0.00 0.00 0.00 19.45 18.23 1ymr n ALA 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ymr n PRO 93 N 0.78 2.41 -2.66 0.00 -0.04 -1.26 -4.97 135.00 129.27 1ymr n PRO 93 Ca 0.12 -1.50 -0.40 0.00 -0.04 0.00 0.00 63.50 61.68 1ymr n PRO 93 Cb 0.31 -1.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 1ymr n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ymr n ASN 94 N 0.08 7.11 -4.81 3.54 4.13 0.18 -5.01 115.26 120.47 1ymr n ASN 94 Ca 0.19 -3.69 -0.31 0.00 1.68 0.00 0.00 54.58 52.45 1ymr n ASN 94 Cb 0.85 -1.11 0.05 0.00 -1.54 0.00 0.00 39.78 38.03 1ymr n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ymr s ALA 96 N -2.95 -0.47 0.04 0.00 0.00 -1.26 -4.97 121.76 112.15 1ymr s ALA 96 Ca 0.59 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.36 1ymr s ALA 96 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1ymr s ALA 96 CO 0.53 -0.14 -0.18 0.71 0.00 0.00 0.00 175.76 176.67 1ymr s TYR 97 N 0.73 1.59 -0.16 0.00 1.51 -1.26 -1.03 117.35 118.72 1ymr s TYR 97 Ca -0.05 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.49 1ymr s TYR 97 Cb -0.07 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1ymr s TYR 97 CO -0.04 0.07 0.36 0.21 -1.11 0.00 0.00 175.55 175.04 1ymr s LYS 98 N -1.13 4.25 -0.19 -0.62 2.47 0.55 -4.61 119.74 120.46 1ymr s LYS 98 Ca 0.05 0.20 -0.10 0.00 -1.56 0.00 0.00 55.97 54.56 1ymr s LYS 98 Cb -0.08 -3.46 -0.05 0.00 -1.46 0.00 0.00 37.83 32.78 1ymr s LYS 98 CO 0.01 0.14 0.15 0.99 0.16 0.00 0.00 175.35 176.81 1ymr s THR 99 N 0.74 5.40 -0.23 3.43 2.01 -1.26 -1.92 115.64 123.81 1ymr s THR 99 Ca 0.19 0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 1ymr s THR 99 Cb -0.14 -3.49 0.07 0.00 0.01 0.00 0.00 72.50 68.95 1ymr s THR 99 CO 0.06 0.44 0.06 -0.89 -0.69 0.00 0.00 174.62 173.61 1ymr s THR 100 N 0.35 0.44 0.16 -0.82 2.01 -0.07 -4.98 115.64 112.74 1ymr s THR 100 Ca 0.09 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 1ymr s THR 100 Cb -0.11 -1.09 -0.08 0.00 0.01 0.00 0.00 72.50 71.23 1ymr s THR 100 CO -0.01 -0.37 0.87 -1.58 -0.69 0.00 0.00 174.62 172.83 1ymr s GLN 101 N 1.88 4.68 0.38 4.92 2.00 -1.26 -0.47 119.66 131.79 1ymr s GLN 101 Ca 0.03 1.31 -0.15 0.00 -2.00 0.00 0.00 55.36 54.55 1ymr s GLN 101 Cb -0.17 -3.31 0.05 0.00 0.80 0.00 0.00 33.01 30.39 1ymr s GLN 101 CO -0.15 0.44 0.78 0.00 -0.50 0.00 0.00 175.29 175.86 1ymr s ALA 102 N -0.77 -0.71 -0.25 1.58 0.00 -0.21 -4.98 121.76 116.41 1ymr s ALA 102 Ca 0.40 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1ymr s ALA 102 Cb -0.24 0.69 0.08 0.00 0.00 0.00 0.00 23.12 23.65 1ymr s ALA 102 CO 0.28 -0.98 0.05 -0.80 0.00 0.00 0.00 175.76 174.31 1ymr s ASN 103 N -3.07 3.59 0.17 0.00 0.01 -1.26 -1.00 114.94 113.38 1ymr s ASN 103 Ca 0.16 -1.26 -0.05 0.00 -0.71 0.00 0.00 52.86 51.00 1ymr s ASN 103 Cb -0.05 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.76 1ymr s ASN 103 CO 0.12 -0.34 0.19 -0.54 -1.51 0.00 0.00 177.10 175.01 1ymr s LYS 104 N 1.66 1.13 0.42 -0.60 1.02 -0.61 -4.77 119.74 118.00 1ymr s LYS 104 Ca 0.03 -1.38 -0.23 0.00 0.02 0.00 0.00 55.97 54.42 1ymr s LYS 104 Cb -0.17 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.36 1ymr s LYS 104 CO -0.15 -0.38 1.01 -1.01 -0.92 0.00 0.00 175.35 173.89 1ymr s HIS 105 N -4.05 3.27 0.16 3.18 3.76 -0.58 0.01 115.29 121.03 1ymr s HIS 105 Ca 0.25 1.64 0.08 0.00 -0.15 0.00 0.00 55.06 56.88 1ymr s HIS 105 Cb 0.05 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 1ymr s HIS 105 CO 0.04 -0.43 -0.10 0.96 -0.85 0.00 0.00 174.74 174.37 1ymr s ILE 106 N -1.87 3.25 -0.12 0.60 -4.36 -1.26 -0.24 121.20 117.20 1ymr s ILE 106 Ca 0.60 -1.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.48 1ymr s ILE 106 Cb -0.17 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1ymr s ILE 106 CO 0.21 -0.04 -0.16 -0.63 0.24 0.00 0.00 174.94 174.56 1ymr s ILE 107 N -1.54 1.62 0.09 8.37 1.01 0.36 -1.00 121.20 130.11 1ymr s ILE 107 Ca 0.24 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1ymr s ILE 107 Cb -0.10 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1ymr s ILE 107 CO 0.15 0.47 -0.10 0.68 0.00 0.00 0.00 174.94 176.13 1ymr s VAL 108 N 1.01 0.92 0.00 2.92 -7.23 -0.64 -0.15 120.40 117.24 1ymr s VAL 108 Ca -0.05 -1.58 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1ymr s VAL 108 Cb -0.15 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 1ymr s VAL 108 CO -0.03 -0.52 0.32 0.00 -0.31 0.00 0.00 175.10 174.56 1ymr s ALA 109 N -2.28 3.78 0.14 1.32 0.00 -0.03 -0.40 121.76 124.29 1ymr s ALA 109 Ca 0.04 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.63 1ymr s ALA 109 Cb -0.04 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1ymr s ALA 109 CO 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 175.76 176.17 1ymr s GLU 111 N -2.57 0.53 0.14 0.00 -1.05 -0.72 -4.89 118.70 110.14 1ymr s GLU 111 Ca 0.12 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1ymr s GLU 111 Cb -0.06 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1ymr s GLU 111 CO 0.05 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.43 1ymr n GLY 112 N -0.49 -2.90 2.68 -3.83 0.00 -1.26 -2.23 105.19 97.17 1ymr n GLY 112 Ca -0.08 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 1ymr n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ymr s ASN 113 N -2.09 2.88 0.76 1.61 2.47 -1.26 -2.20 114.94 117.12 1ymr s ASN 113 Ca 0.00 -0.86 -0.14 0.00 0.42 0.00 0.00 52.86 52.28 1ymr s ASN 113 Cb 0.00 -0.49 0.06 0.00 -1.45 0.00 0.00 41.25 39.37 1ymr s ASN 113 CO 0.00 -0.34 1.20 -2.16 -3.72 0.00 0.00 177.10 172.08 1ymr s PRO 114 N 1.94 1.95 -0.70 0.43 0.04 -1.26 -5.07 135.00 132.33 1ymr s PRO 114 Ca 0.02 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 1ymr s PRO 114 Cb -0.17 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1ymr s PRO 114 CO -0.12 -1.97 1.12 -0.47 0.04 0.00 0.00 177.00 175.59 1ymr s TYR 115 N -2.09 2.49 0.27 0.56 5.04 -0.93 -4.86 117.35 117.83 1ymr s TYR 115 Ca 0.73 -0.32 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 1ymr s TYR 115 Cb -0.28 -4.45 -0.06 0.00 0.35 0.00 0.00 41.96 37.52 1ymr s TYR 115 CO 0.48 -1.85 0.04 0.14 -1.34 0.00 0.00 175.55 173.02 1ymr s VAL 116 N 4.85 0.98 0.29 3.14 -7.23 -0.95 -4.80 120.40 116.69 1ymr s VAL 116 Ca 0.28 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1ymr s VAL 116 Cb -0.13 -2.59 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 1ymr s VAL 116 CO 0.12 -0.12 1.48 -2.84 -0.31 0.00 0.00 175.10 173.43 1ymr s PRO 117 N -3.92 4.21 0.00 4.82 0.02 -1.26 -1.76 135.00 137.11 1ymr s PRO 117 Ca 0.34 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.77 1ymr s PRO 117 Cb 0.07 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1ymr s PRO 117 CO 0.13 -0.47 0.10 1.33 -0.33 0.00 0.00 177.00 177.75 1ymr n VAL 118 N 1.85 0.00 -3.68 3.83 0.24 0.12 -4.48 118.33 116.21 1ymr n VAL 118 Ca 0.06 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 1ymr n VAL 118 Cb 0.39 1.21 -0.09 0.00 -1.47 0.00 0.00 33.84 33.88 1ymr n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1ymr s HIS 119 N -0.29 -0.70 -0.31 6.34 5.65 -1.19 -4.67 115.29 120.12 1ymr s HIS 119 Ca 0.00 1.56 -0.16 0.00 0.25 0.00 0.00 55.06 56.72 1ymr s HIS 119 Cb 0.00 0.31 -0.02 0.00 -1.18 0.00 0.00 32.58 31.68 1ymr s HIS 119 CO 0.00 -0.35 0.39 0.12 -0.65 0.00 0.00 174.74 174.25 1ymr s PHE 120 N 0.82 3.22 -0.20 3.88 5.36 -1.26 -0.85 117.98 128.95 1ymr s PHE 120 Ca -0.04 0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 55.97 1ymr s PHE 120 Cb -0.05 -2.68 -0.20 0.00 -0.34 0.00 0.00 43.02 39.75 1ymr s PHE 120 CO -0.07 -0.37 0.16 -3.47 -1.46 0.00 0.00 175.22 170.02 1ymr n ASP 121 N 5.43 1.95 -3.75 6.13 2.03 0.79 -4.97 116.55 124.15 1ymr n ASP 121 Ca -0.08 0.33 0.02 0.00 0.52 0.00 0.00 54.79 55.58 1ymr n ASP 121 Cb 0.50 -0.89 0.01 0.00 -0.72 0.00 0.00 41.12 40.01 1ymr n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ymr s ALA 122 N -2.44 -2.41 0.02 -1.67 0.00 -0.97 -4.94 121.76 109.36 1ymr s ALA 122 Ca -0.29 0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1ymr s ALA 122 Cb 0.07 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1ymr s ALA 122 CO 0.63 -1.12 -0.18 -1.54 0.00 0.00 0.00 175.76 173.54 1ymr s SER 123 N -3.54 2.18 0.00 0.00 1.04 -1.26 -0.49 113.70 111.63 1ymr s SER 123 Ca 0.25 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1ymr s SER 123 Cb 0.01 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1ymr s SER 123 CO -0.02 0.17 0.40 0.52 0.98 0.00 0.00 173.24 175.29