#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tij s VAL 10 N 0.00 0.17 -0.39 4.08 0.11 -1.26 -1.07 120.40 122.03 1tij s VAL 10 Ca 0.00 -1.44 0.06 0.00 -2.93 0.00 0.00 61.98 57.67 1tij s VAL 10 Cb 0.00 -1.43 0.18 0.00 -1.53 0.00 0.00 36.38 33.60 1tij s VAL 10 CO 0.00 -0.77 0.67 -0.83 -3.33 0.00 0.00 175.10 170.85 1tij s GLY 11 N -2.89 -1.30 0.22 6.54 0.00 -0.92 -5.00 107.32 103.97 1tij s GLY 11 Ca 0.06 0.42 -0.06 0.00 0.00 0.00 0.00 44.72 45.14 1tij s GLY 11 CO -0.10 3.74 -0.12 0.61 0.00 0.00 0.00 173.10 177.24 1tij n GLY 12 N 4.43 -1.19 3.49 0.20 0.00 -1.26 -3.44 105.19 107.42 1tij n GLY 12 Ca 0.10 -0.13 -0.54 0.00 0.00 0.00 0.00 46.02 45.45 1tij n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tij n PRO 13 N 0.59 0.28 -3.98 1.61 -0.02 -1.26 -4.76 135.00 127.46 1tij n PRO 13 Ca 0.01 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1tij n PRO 13 Cb 0.16 -1.49 -0.11 0.00 -0.02 0.00 0.00 33.50 32.04 1tij n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tij s MET 14 N -0.28 0.31 0.47 -0.52 0.23 -0.21 -4.93 119.30 114.37 1tij s MET 14 Ca 0.81 -0.59 -0.24 0.00 -1.03 0.00 0.00 55.69 54.64 1tij s MET 14 Cb -1.09 0.07 -0.07 0.00 -1.53 0.00 0.00 34.83 32.21 1tij s MET 14 CO 0.55 -0.04 1.30 -0.51 -2.03 0.00 0.00 175.02 174.29 1tij s ASP 15 N -1.39 5.86 0.20 -1.18 1.01 -1.26 -0.94 116.67 118.97 1tij s ASP 15 Ca -0.15 2.62 0.11 0.00 0.71 0.00 0.00 52.55 55.85 1tij s ASP 15 Cb -0.09 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1tij s ASP 15 CO -0.01 -1.15 -0.22 0.00 0.21 0.00 0.00 175.17 174.00 1tij s ALA 16 N -1.35 2.60 0.25 5.23 0.00 0.84 -4.79 121.76 124.53 1tij s ALA 16 Ca 0.64 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.66 1tij s ALA 16 Cb -0.37 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.29 1tij s ALA 16 CO 0.45 0.42 1.00 0.45 0.00 0.00 0.00 175.76 178.08 1tij s SER 17 N -2.76 7.51 0.00 0.00 0.15 -1.26 -4.71 113.70 112.62 1tij s SER 17 Ca 0.22 2.05 0.11 0.00 0.70 0.00 0.00 55.95 59.03 1tij s SER 17 Cb -0.08 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 62.17 1tij s SER 17 CO 0.11 0.04 1.20 1.33 1.20 0.00 0.00 173.24 177.11 1tij n VAL 18 N 1.48 0.59 0.10 4.45 0.24 -1.26 -1.77 118.33 122.16 1tij n VAL 18 Ca -0.01 0.15 0.08 0.00 -2.04 0.00 0.00 64.34 62.52 1tij n VAL 18 Cb 0.46 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 1tij n VAL 18 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1tij h GLU 19 N 0.00 0.00 -6.30 7.34 5.08 -2.00 -3.42 114.58 115.28 1tij h GLU 19 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1tij h GLU 19 Cb 0.08 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.38 1tij h GLU 19 CO 0.00 0.10 0.54 0.39 -1.00 0.00 0.00 179.01 179.05 1tij n GLU 20 N -2.82 1.31 -0.25 2.33 1.02 -0.73 -4.80 120.64 116.70 1tij n GLU 20 Ca -0.02 0.47 0.01 0.00 -0.02 0.00 0.00 57.16 57.60 1tij n GLU 20 Cb 0.63 -2.14 0.13 0.00 -0.02 0.00 0.00 31.44 30.04 1tij n GLU 20 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1tij h GLU 21 N 5.01 0.63 -0.98 3.49 4.81 -1.90 -1.01 114.58 124.63 1tij h GLU 21 Ca -0.47 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 58.87 1tij h GLU 21 Cb 1.32 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 1tij h GLU 21 CO 0.81 0.42 0.60 0.78 -0.73 0.00 0.00 179.01 180.88 1tij h GLY 22 N 0.65 1.67 1.17 1.92 0.00 -1.97 0.70 103.07 107.21 1tij h GLY 22 Ca 0.34 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 1tij h GLY 22 CO -0.24 0.05 -0.60 -2.08 0.00 0.00 0.00 176.54 173.67 1tij h VAL 23 N 0.87 1.27 -0.23 4.60 2.07 -1.55 0.93 116.25 124.21 1tij h VAL 23 Ca 0.52 -1.78 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1tij h VAL 23 Cb 0.66 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1tij h VAL 23 CO -0.32 0.58 0.09 0.03 0.02 0.00 0.00 177.57 177.97 1tij h ARG 24 N 0.64 0.20 -0.38 1.57 3.08 0.04 0.32 114.38 119.84 1tij h ARG 24 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1tij h ARG 24 Cb 1.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1tij h ARG 24 CO 0.13 0.13 0.19 0.00 -1.07 0.00 0.00 179.97 179.35 1tij h ARG 25 N 0.21 0.55 -0.74 0.04 3.08 0.41 -1.90 114.38 116.02 1tij h ARG 25 Ca 0.10 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1tij h ARG 25 Cb 0.05 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1tij h ARG 25 CO -0.09 0.47 0.49 0.00 -1.07 0.00 0.00 179.97 179.77 1tij h ALA 26 N 1.04 0.95 -0.00 0.04 0.00 -0.40 -1.97 119.26 118.93 1tij h ALA 26 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1tij h ALA 26 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1tij h ALA 26 CO -0.02 0.34 -0.09 1.25 0.00 0.00 0.00 179.25 180.74 1tij h LEU 27 N 0.99 -0.25 0.01 0.00 5.85 0.05 -1.17 115.31 120.80 1tij h LEU 27 Ca 0.28 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1tij h LEU 27 Cb -0.09 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1tij h LEU 27 CO -0.07 -0.13 -0.17 0.44 -0.34 0.00 0.00 178.44 178.17 1tij h ASP 28 N -0.15 -0.50 -0.66 1.25 3.45 -1.18 0.43 116.42 119.06 1tij h ASP 28 Ca 0.03 0.07 0.13 0.00 0.43 0.00 0.00 57.03 57.69 1tij h ASP 28 Cb 0.19 0.21 -0.09 0.00 -0.56 0.00 0.00 39.33 39.08 1tij h ASP 28 CO -0.09 -0.24 0.18 0.15 -1.57 0.00 0.00 179.24 177.67 1tij h PHE 29 N -0.29 0.29 -0.21 4.55 3.57 -1.22 0.37 116.94 124.00 1tij h PHE 29 Ca 0.05 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 1tij h PHE 29 Cb 0.35 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tij h PHE 29 CO -0.22 -0.01 -0.50 0.00 -2.23 0.00 0.00 178.31 175.35 1tij h ALA 30 N 1.51 0.34 0.00 2.41 0.00 -0.46 0.20 119.26 123.26 1tij h ALA 30 Ca 0.35 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tij h ALA 30 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tij h ALA 30 CO -0.42 0.52 0.00 0.28 0.00 0.00 0.00 179.25 179.64 1tij n VAL 31 N -4.13 1.16 -0.06 0.00 0.31 0.14 -0.60 118.33 115.15 1tij n VAL 31 Ca -0.06 0.41 -0.08 0.00 -0.01 0.00 0.00 64.34 64.61 1tij n VAL 31 Cb 0.60 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 32.13 1tij n VAL 31 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1tij h GLY 32 N 1.30 0.00 0.74 2.92 0.00 0.12 -2.92 103.07 105.22 1tij h GLY 32 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.50 1tij h GLY 32 CO 0.00 0.00 0.46 0.83 0.00 0.00 0.00 176.54 177.83 1tij h GLU 33 N -1.00 0.16 0.19 4.80 3.07 -0.33 -1.69 114.58 119.78 1tij h GLU 33 Ca -0.03 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1tij h GLU 33 Cb 0.56 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1tij h GLU 33 CO -0.02 0.10 -0.09 -0.92 -1.40 0.00 0.00 179.01 176.68 1tij h TYR 34 N 0.16 -0.24 0.00 4.33 3.20 -0.90 -2.86 116.97 120.66 1tij h TYR 34 Ca 0.32 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1tij h TYR 34 Cb 1.05 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 1tij h TYR 34 CO -0.00 0.11 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.66 1tij h ASN 35 N -0.62 0.00 0.85 -2.11 2.35 -1.13 0.39 115.58 115.31 1tij h ASN 35 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1tij h ASN 35 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1tij h ASN 35 CO 0.04 0.06 -0.15 0.50 -1.65 0.00 0.00 177.43 176.24 1tij h LYS 36 N 0.00 0.00 0.00 0.81 3.64 -1.15 -3.26 116.57 116.61 1tij h LYS 36 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1tij h LYS 36 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1tij h LYS 36 CO 0.01 0.15 0.00 0.00 -2.27 0.00 0.00 179.45 177.33 1tij n ALA 37 N -2.19 1.74 -1.76 5.00 0.00 -0.26 -5.05 120.51 117.99 1tij n ALA 37 Ca -0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1tij n ALA 37 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 1tij n ALA 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1tij s SER 38 N -0.62 5.72 -1.19 0.00 1.04 0.12 -4.90 113.70 113.88 1tij s SER 38 Ca 0.00 2.90 -0.11 0.00 0.48 0.00 0.00 55.95 59.22 1tij s SER 38 Cb 0.00 -2.65 0.21 0.00 0.10 0.00 0.00 66.02 63.68 1tij s SER 38 CO 0.00 -1.28 1.39 -3.20 0.98 0.00 0.00 173.24 171.13 1tij n ASN 39 N -0.40 5.36 -3.49 7.02 2.85 -1.26 -4.87 115.26 120.47 1tij n ASN 39 Ca 0.06 -3.03 -0.15 0.00 -0.11 0.00 0.00 54.58 51.36 1tij n ASN 39 Cb 0.42 -1.49 -0.04 0.00 1.24 0.00 0.00 39.78 39.91 1tij n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1tij s ASP 40 N 1.96 -0.58 0.21 1.20 -1.08 -1.26 -5.05 116.67 112.07 1tij s ASP 40 Ca 0.39 0.39 0.20 0.00 -0.52 0.00 0.00 52.55 53.00 1tij s ASP 40 Cb -0.03 0.53 0.02 0.00 -1.46 0.00 0.00 42.92 41.98 1tij s ASP 40 CO -0.02 -0.72 1.12 0.24 0.52 0.00 0.00 175.17 176.32 1tij h MET 41 N 2.54 0.00 -6.00 4.34 2.86 -2.00 -3.47 114.93 113.21 1tij h MET 41 Ca -0.28 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.76 1tij h MET 41 Cb 1.21 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 1tij h MET 41 CO 0.37 0.15 -0.17 0.71 1.06 0.00 0.00 176.91 179.03 1tij s TYR 42 N -3.16 3.71 0.12 -0.22 2.02 -1.26 -5.08 117.35 113.48 1tij s TYR 42 Ca 0.01 1.01 -0.30 0.00 -0.37 0.00 0.00 57.07 57.41 1tij s TYR 42 Cb 0.08 -2.35 -0.07 0.00 -0.40 0.00 0.00 41.96 39.22 1tij s TYR 42 CO 0.77 0.57 1.19 -1.58 -1.57 0.00 0.00 175.55 174.93 1tij s HIS 43 N -0.84 3.46 0.13 2.71 5.65 -1.26 -5.04 115.29 120.09 1tij s HIS 43 Ca 0.25 1.38 0.05 0.00 0.25 0.00 0.00 55.06 56.99 1tij s HIS 43 Cb -0.17 -3.40 -0.04 0.00 -1.18 0.00 0.00 32.58 27.79 1tij s HIS 43 CO 0.14 -1.16 0.04 -1.12 -0.65 0.00 0.00 174.74 171.98 1tij s SER 44 N 0.56 5.14 0.20 9.88 0.01 -1.26 -5.14 113.70 123.08 1tij s SER 44 Ca 0.55 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.64 1tij s SER 44 Cb -0.31 -1.24 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 1tij s SER 44 CO 0.33 0.13 -0.01 -0.13 0.41 0.00 0.00 173.24 173.96 1tij s ARG 45 N -2.65 1.21 0.00 12.44 0.52 -1.26 -4.85 118.95 124.36 1tij s ARG 45 Ca 0.28 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.59 1tij s ARG 45 Cb -0.11 -0.48 -0.06 0.00 0.52 0.00 0.00 34.95 34.83 1tij s ARG 45 CO 0.20 -0.09 1.42 0.00 0.02 0.00 0.00 175.30 176.85 1tij s ALA 46 N -3.50 3.59 -0.05 2.13 0.00 -1.26 -4.86 121.76 117.81 1tij s ALA 46 Ca 0.25 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.13 1tij s ALA 46 Cb 0.05 -3.60 -0.25 0.00 0.00 0.00 0.00 23.12 19.32 1tij s ALA 46 CO 0.06 -0.93 0.66 1.25 0.00 0.00 0.00 175.76 176.79 1tij h LEU 47 N 8.40 0.24 -7.00 0.00 6.46 -2.05 -3.48 115.31 117.88 1tij h LEU 47 Ca -0.38 -0.44 0.13 0.00 -0.12 0.00 0.00 57.88 57.07 1tij h LEU 47 Cb 1.18 -0.08 -0.29 0.00 -0.73 0.00 0.00 40.66 40.75 1tij h LEU 47 CO 0.91 1.38 0.51 -1.58 -0.62 0.00 0.00 178.44 179.04 1tij s GLN 48 N -2.60 0.31 -0.49 1.25 0.74 -1.26 -5.11 119.66 112.50 1tij s GLN 48 Ca -0.11 0.49 -0.22 0.00 0.05 0.00 0.00 55.36 55.57 1tij s GLN 48 Cb 0.07 0.09 0.04 0.00 1.10 0.00 0.00 33.01 34.31 1tij s GLN 48 CO 0.82 -0.06 0.78 0.08 -0.55 0.00 0.00 175.29 176.36 1tij s VAL 49 N 0.98 4.64 0.11 1.34 1.01 -1.26 -4.92 120.40 122.30 1tij s VAL 49 Ca -0.05 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1tij s VAL 49 Cb -0.04 -4.37 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 1tij s VAL 49 CO -0.13 -0.84 1.24 -0.37 0.00 0.00 0.00 175.10 175.00 1tij h VAL 50 N 5.96 1.66 -3.12 2.92 -1.51 -2.05 -3.45 116.25 116.66 1tij h VAL 50 Ca -0.26 -3.36 -0.17 0.00 -1.23 0.00 0.00 66.70 61.68 1tij h VAL 50 Cb 1.08 2.84 -0.27 0.00 -2.13 0.00 0.00 31.29 32.82 1tij h VAL 50 CO 0.99 0.95 -0.45 -0.60 -1.23 0.00 0.00 177.57 177.23 1tij s ARG 51 N -2.70 0.26 -0.25 5.19 3.52 -1.26 -5.13 118.95 118.58 1tij s ARG 51 Ca 0.00 0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.96 1tij s ARG 51 Cb 0.10 0.07 0.08 0.00 -1.56 0.00 0.00 34.95 33.64 1tij s ARG 51 CO 0.83 -0.07 0.08 0.00 -0.81 0.00 0.00 175.30 175.33 1tij s ALA 52 N 0.43 1.01 0.18 6.12 0.00 -1.26 -5.10 121.76 123.13 1tij s ALA 52 Ca -0.03 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.95 1tij s ALA 52 Cb -0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1tij s ALA 52 CO -0.02 -1.45 0.01 1.03 0.00 0.00 0.00 175.76 175.33 1tij s ARG 53 N 1.88 2.43 0.06 0.00 0.52 -1.26 -0.11 118.95 122.46 1tij s ARG 53 Ca 0.05 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1tij s ARG 53 Cb -0.17 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 1tij s ARG 53 CO -0.21 0.45 -0.07 -1.59 0.02 0.00 0.00 175.30 173.90 1tij s LYS 54 N -3.01 0.62 -0.02 3.54 -2.85 -0.11 -4.88 119.74 113.02 1tij s LYS 54 Ca 0.28 -0.97 -0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1tij s LYS 54 Cb -0.09 -0.19 0.03 0.00 -2.06 0.00 0.00 37.83 35.51 1tij s LYS 54 CO 0.19 0.01 0.03 -1.14 0.10 0.00 0.00 175.35 174.54 1tij s GLN 55 N -2.49 -0.02 -0.31 1.78 0.74 -1.26 -1.05 119.66 117.06 1tij s GLN 55 Ca -0.02 0.17 -0.09 0.00 0.05 0.00 0.00 55.36 55.47 1tij s GLN 55 Cb -0.04 -0.20 -0.01 0.00 1.10 0.00 0.00 33.01 33.87 1tij s GLN 55 CO -0.02 -0.14 0.14 0.42 -0.55 0.00 0.00 175.29 175.14 1tij s ILE 56 N 0.90 4.53 -0.16 -2.34 1.01 -1.22 -5.00 121.20 118.91 1tij s ILE 56 Ca -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1tij s ILE 56 Cb -0.11 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1tij s ILE 56 CO -0.03 0.08 -0.03 0.68 0.00 0.00 0.00 174.94 175.65 1tij s VAL 57 N 1.60 3.96 0.31 2.92 -7.23 -1.26 -2.17 120.40 118.53 1tij s VAL 57 Ca 0.04 -0.33 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 1tij s VAL 57 Cb -0.17 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 33.97 1tij s VAL 57 CO 0.06 0.48 0.06 0.00 -0.31 0.00 0.00 175.10 175.39 1tij s ALA 58 N 0.43 2.22 0.09 1.32 0.00 -0.24 -5.02 121.76 120.57 1tij s ALA 58 Ca -0.03 -2.01 -0.07 0.00 0.00 0.00 0.00 51.96 49.85 1tij s ALA 58 Cb -0.14 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1tij s ALA 58 CO 0.03 -0.33 0.14 0.20 0.00 0.00 0.00 175.76 175.80 1tij s GLY 59 N -3.45 0.22 -0.09 0.00 0.00 -1.26 -4.51 107.32 98.24 1tij s GLY 59 Ca 0.36 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.33 1tij s GLY 59 CO 0.15 -0.94 -0.22 0.14 0.00 0.00 0.00 173.10 172.23 1tij s VAL 60 N -3.89 1.87 -0.22 1.40 1.01 -0.10 -4.93 120.40 115.54 1tij s VAL 60 Ca 0.07 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1tij s VAL 60 Cb 0.06 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1tij s VAL 60 CO -0.10 0.52 0.09 0.20 0.00 0.00 0.00 175.10 175.81 1tij s ASN 61 N 0.32 5.52 -0.13 3.32 0.01 -1.26 -0.50 114.94 122.22 1tij s ASN 61 Ca -0.16 -0.04 -0.04 0.00 -0.71 0.00 0.00 52.86 51.91 1tij s ASN 61 Cb -0.17 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 1tij s ASN 61 CO 0.07 0.06 0.00 -0.31 -1.51 0.00 0.00 177.10 175.41 1tij s TYR 62 N 1.07 3.14 -0.30 2.20 1.51 0.22 -4.93 117.35 120.27 1tij s TYR 62 Ca 0.05 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1tij s TYR 62 Cb -0.14 -1.91 0.08 0.00 -0.11 0.00 0.00 41.96 39.88 1tij s TYR 62 CO 0.04 0.23 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.63 1tij s PHE 63 N -0.19 3.39 -0.16 2.71 0.40 -1.26 0.66 117.98 123.53 1tij s PHE 63 Ca 0.05 -2.59 -0.00 0.00 -0.60 0.00 0.00 56.93 53.79 1tij s PHE 63 Cb -0.12 -2.38 -0.00 0.00 0.51 0.00 0.00 43.02 41.02 1tij s PHE 63 CO 0.02 -0.91 -0.14 -0.51 0.70 0.00 0.00 175.22 174.38 1tij s LEU 64 N 1.04 2.53 -0.25 -0.37 1.43 -0.88 -4.97 118.68 117.21 1tij s LEU 64 Ca 0.02 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1tij s LEU 64 Cb -0.19 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1tij s LEU 64 CO -0.07 0.08 0.48 -1.81 0.23 0.00 0.00 176.35 175.25 1tij s ASP 65 N 0.87 6.42 0.05 2.29 -0.00 -1.26 -1.61 116.67 123.42 1tij s ASP 65 Ca -0.04 0.50 0.05 0.00 -0.00 0.00 0.00 52.55 53.06 1tij s ASP 65 Cb -0.15 -2.26 -0.03 0.00 -0.00 0.00 0.00 42.92 40.48 1tij s ASP 65 CO -0.01 -0.23 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.08 1tij s VAL 66 N 2.08 1.23 -0.21 -1.27 1.01 0.26 -4.96 120.40 118.54 1tij s VAL 66 Ca 0.20 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1tij s VAL 66 Cb -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1tij s VAL 66 CO 0.09 -0.05 0.08 -0.70 0.00 0.00 0.00 175.10 174.53 1tij s GLU 67 N -1.38 3.90 0.11 2.72 2.12 -1.26 0.00 118.70 124.91 1tij s GLU 67 Ca 0.02 -0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.05 1tij s GLU 67 Cb -0.09 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1tij s GLU 67 CO 0.02 0.10 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.24 1tij s LEU 68 N 0.85 3.07 0.19 2.70 1.02 0.23 -4.97 118.68 121.79 1tij s LEU 68 Ca 0.04 -0.39 0.09 0.00 0.02 0.00 0.00 54.13 53.90 1tij s LEU 68 Cb -0.13 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 1tij s LEU 68 CO 0.03 0.17 -0.11 -0.83 0.02 0.00 0.00 176.35 175.62 1tij s GLY 69 N -2.30 1.73 0.10 -3.19 0.00 -1.26 -2.21 107.32 100.19 1tij s GLY 69 Ca 0.22 -1.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.18 1tij s GLY 69 CO 0.14 -1.56 0.72 -1.60 0.00 0.00 0.00 173.10 170.81 1tij s ARG 70 N -2.92 4.46 0.00 2.90 3.52 -0.95 -5.01 118.95 120.96 1tij s ARG 70 Ca 0.25 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.88 1tij s ARG 70 Cb -0.08 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1tij s ARG 70 CO 0.15 0.47 0.00 0.25 -0.81 0.00 0.00 175.30 175.36 1tij n THR 71 N 2.12 0.00 -0.05 4.11 -2.24 -1.26 -2.97 114.28 113.99 1tij n THR 71 Ca -0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1tij n THR 71 Cb 0.50 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 1tij n THR 71 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1tij n THR 72 N -0.31 0.64 -0.88 4.28 -1.04 -0.98 -4.65 114.28 111.34 1tij n THR 72 Ca 0.00 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.05 61.06 1tij n THR 72 Cb 0.00 -0.22 0.15 0.00 -1.82 0.00 0.00 70.33 68.45 1tij n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tij s THR 74 N -2.72 3.51 -0.82 0.00 2.01 -1.26 -5.00 115.64 111.36 1tij s THR 74 Ca 0.65 -1.53 0.19 0.00 0.31 0.00 0.00 61.69 61.31 1tij s THR 74 Cb -0.21 -2.76 0.18 0.00 0.01 0.00 0.00 72.50 69.72 1tij s THR 74 CO 0.58 -0.12 1.60 0.29 -0.69 0.00 0.00 174.62 176.28 1tij n LYS 75 N -0.09 0.07 -0.06 4.92 5.02 -1.26 -3.06 118.16 123.71 1tij n LYS 75 Ca -0.10 0.28 -0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1tij n LYS 75 Cb 0.55 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1tij n LYS 75 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1tij h THR 76 N 0.00 0.50 -2.56 -0.18 1.35 -2.03 -3.47 112.91 106.53 1tij h THR 76 Ca 0.00 -1.38 -0.58 0.00 -0.55 0.00 0.00 66.41 63.90 1tij h THR 76 Cb 0.33 0.95 0.07 0.00 -1.73 0.00 0.00 68.15 67.78 1tij h THR 76 CO 0.00 0.17 0.69 0.00 -0.25 0.00 0.00 175.52 176.13 1tij n GLN 77 N -4.73 2.10 0.08 4.72 10.64 -1.17 -4.94 117.38 124.09 1tij n GLN 77 Ca -0.03 0.75 -0.08 0.00 -1.83 0.00 0.00 57.00 55.81 1tij n GLN 77 Cb 0.14 -2.45 -0.04 0.00 -0.86 0.00 0.00 30.24 27.02 1tij n GLN 77 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 1tij h PRO 78 N 4.84 0.10 -5.32 2.61 0.11 -1.91 -3.42 132.00 129.01 1tij h PRO 78 Ca -0.45 -0.13 -0.19 0.00 0.11 0.00 0.00 66.00 65.33 1tij h PRO 78 Cb 1.27 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1tij h PRO 78 CO 0.80 0.95 0.62 1.21 -0.21 0.00 0.00 178.00 181.38 1tij s ASN 79 N -6.86 4.34 -0.51 -2.05 3.84 -1.26 -4.72 114.94 107.72 1tij s ASN 79 Ca -0.01 -1.33 0.00 0.00 0.21 0.00 0.00 52.86 51.74 1tij s ASN 79 Cb 0.10 -2.59 0.47 0.00 -0.55 0.00 0.00 41.25 38.68 1tij s ASN 79 CO 0.82 -3.80 1.94 0.18 -2.79 0.00 0.00 177.10 173.45 1tij n LEU 80 N 16.69 6.96 0.00 3.21 4.77 -1.26 -4.58 117.00 142.79 1tij n LEU 80 Ca 0.43 -3.77 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 1tij n LEU 80 Cb 0.47 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1tij n LEU 80 CO 0.64 1.24 0.48 0.47 -1.33 0.00 0.00 177.39 178.88 1tij n ASP 81 N -0.75 0.00 -3.77 -1.43 9.92 -1.26 -4.77 116.55 114.48 1tij n ASP 81 Ca 0.54 0.95 -0.14 0.00 -0.53 0.00 0.00 54.79 55.62 1tij n ASP 81 Cb 1.01 -0.45 -0.15 0.00 -0.64 0.00 0.00 41.12 40.89 1tij n ASP 81 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1tij s ASN 82 N -2.01 -0.04 -0.42 -2.24 3.84 -1.26 -5.09 114.94 107.72 1tij s ASN 82 Ca 0.00 0.18 0.02 0.00 0.21 0.00 0.00 52.86 53.28 1tij s ASN 82 Cb 0.00 0.09 0.12 0.00 -0.55 0.00 0.00 41.25 40.91 1tij s ASN 82 CO 0.00 -0.12 0.18 0.00 -2.79 0.00 0.00 177.10 174.37 1tij s PRO 84 N 0.53 1.40 0.96 0.00 0.02 -1.26 -4.47 135.00 132.18 1tij s PRO 84 Ca 0.15 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 62.72 1tij s PRO 84 Cb -0.23 -1.76 0.17 0.00 0.02 0.00 0.00 34.50 32.70 1tij s PRO 84 CO -0.06 -2.38 1.12 -0.06 -0.33 0.00 0.00 177.00 175.30 1tij s PHE 85 N -2.35 2.28 0.67 6.54 0.08 -1.26 -2.31 117.98 121.62 1tij s PHE 85 Ca 0.71 0.88 -0.17 0.00 0.12 0.00 0.00 56.93 58.47 1tij s PHE 85 Cb -0.26 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.83 1tij s PHE 85 CO 0.53 -2.64 1.20 -1.01 -0.10 0.00 0.00 175.22 173.21 1tij s HIS 86 N -3.16 2.24 0.00 0.36 3.76 -1.16 -4.79 115.29 112.54 1tij s HIS 86 Ca 0.65 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 57.11 1tij s HIS 86 Cb -0.16 -3.46 0.00 0.00 1.11 0.00 0.00 32.58 30.07 1tij s HIS 86 CO 0.55 -2.39 0.00 -0.25 -0.85 0.00 0.00 174.74 171.80 1tij n ASP 87 N -2.22 0.00 -4.68 1.40 8.00 -1.26 -4.85 116.55 112.93 1tij n ASP 87 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 1tij n ASP 87 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 1tij n ASP 87 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1tij s GLN 88 N 0.00 4.25 0.22 -1.24 -0.21 -1.26 -4.91 119.66 116.51 1tij s GLN 88 Ca 0.00 2.03 0.00 0.00 0.02 0.00 0.00 55.36 57.41 1tij s GLN 88 Cb 0.00 -3.65 0.00 0.00 1.00 0.00 0.00 33.01 30.36 1tij s GLN 88 CO 0.00 -0.65 0.52 -2.30 -2.12 0.00 0.00 175.29 170.74 1tij n PRO 89 N 5.73 0.01 -0.00 2.91 -0.02 -1.26 0.07 135.00 142.44 1tij n PRO 89 Ca 0.14 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1tij n PRO 89 Cb 0.43 -1.61 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 1tij n PRO 89 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1tij n HIS 90 N -1.27 0.00 0.38 6.00 1.44 -1.26 -4.45 115.22 116.06 1tij n HIS 90 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 1tij n HIS 90 Cb 0.52 -0.16 -0.14 0.00 0.12 0.00 0.00 29.99 30.33 1tij n HIS 90 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1tij n LEU 91 N -1.68 0.38 -4.70 2.39 4.77 0.11 -4.93 117.00 113.34 1tij n LEU 91 Ca 0.01 -0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 1tij n LEU 91 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1tij n LEU 91 CO 0.34 0.10 0.88 -1.59 -1.33 0.00 0.00 177.39 175.78 1tij s LYS 92 N -3.20 4.42 0.11 3.23 -2.85 -1.20 -4.91 119.74 115.34 1tij s LYS 92 Ca -0.01 1.67 0.07 0.00 -1.00 0.00 0.00 55.97 56.69 1tij s LYS 92 Cb 0.14 -3.45 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 1tij s LYS 92 CO 0.84 -0.31 -0.16 0.50 0.10 0.00 0.00 175.35 176.32 1tij s ARG 93 N 1.55 1.03 -0.13 1.78 3.52 -1.26 -5.01 118.95 120.42 1tij s ARG 93 Ca 0.56 -1.17 -0.07 0.00 -0.13 0.00 0.00 55.73 54.93 1tij s ARG 93 Cb -0.26 -1.07 0.05 0.00 -1.56 0.00 0.00 34.95 32.12 1tij s ARG 93 CO 0.26 0.23 0.32 0.21 -0.81 0.00 0.00 175.30 175.50 1tij s LYS 94 N -2.24 0.29 0.11 5.12 2.20 -1.26 -2.24 119.74 121.72 1tij s LYS 94 Ca 0.06 0.65 0.08 0.00 -0.36 0.00 0.00 55.97 56.40 1tij s LYS 94 Cb -0.08 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 1tij s LYS 94 CO 0.04 -0.16 -0.21 0.00 -0.36 0.00 0.00 175.35 174.66 1tij s ALA 95 N 1.33 1.81 -0.10 3.13 0.00 -0.94 -1.40 121.76 125.60 1tij s ALA 95 Ca -0.09 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1tij s ALA 95 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1tij s ALA 95 CO -0.10 0.35 -0.12 -0.06 0.00 0.00 0.00 175.76 175.82 1tij s PHE 96 N -1.22 2.80 0.02 0.00 0.40 -0.33 0.78 117.98 120.42 1tij s PHE 96 Ca 0.07 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1tij s PHE 96 Cb -0.10 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1tij s PHE 96 CO 0.04 -0.03 -0.03 0.00 0.70 0.00 0.00 175.22 175.90 1tij s SER 98 N -1.34 5.36 0.38 0.00 0.01 0.92 0.90 113.70 119.93 1tij s SER 98 Ca -0.15 -1.77 -0.03 0.00 1.31 0.00 0.00 55.95 55.31 1tij s SER 98 Cb -0.09 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1tij s SER 98 CO -0.01 -0.52 0.64 -0.36 0.41 0.00 0.00 173.24 173.40 1tij s PHE 99 N 1.26 3.51 -0.14 2.43 0.08 -0.64 -1.01 117.98 123.47 1tij s PHE 99 Ca 0.05 0.62 -0.04 0.00 0.12 0.00 0.00 56.93 57.67 1tij s PHE 99 Cb -0.23 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.16 1tij s PHE 99 CO -0.02 -0.00 0.08 -1.14 -0.10 0.00 0.00 175.22 174.04 1tij s GLN 100 N -4.22 0.05 -0.13 0.44 0.74 0.39 -2.08 119.66 114.86 1tij s GLN 100 Ca 0.44 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.89 1tij s GLN 100 Cb -0.10 -1.50 -0.01 0.00 1.10 0.00 0.00 33.01 32.50 1tij s GLN 100 CO 0.37 -0.58 -0.17 0.42 -0.55 0.00 0.00 175.29 174.78 1tij s ILE 101 N 2.14 2.63 -0.45 -2.34 1.09 0.21 -1.52 121.20 122.96 1tij s ILE 101 Ca 0.03 -0.80 -0.17 0.00 -1.10 0.00 0.00 60.65 58.60 1tij s ILE 101 Cb -0.15 -2.08 0.04 0.00 -1.06 0.00 0.00 42.46 39.21 1tij s ILE 101 CO -0.07 0.53 0.46 -0.47 -0.10 0.00 0.00 174.94 175.28 1tij s TYR 102 N 0.51 3.17 0.33 3.97 5.04 0.97 0.70 117.35 132.04 1tij s TYR 102 Ca -0.11 -0.52 0.08 0.00 -2.44 0.00 0.00 57.07 54.08 1tij s TYR 102 Cb -0.16 -3.04 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 1tij s TYR 102 CO 0.05 -0.77 0.11 0.00 -1.34 0.00 0.00 175.55 173.59 1tij s ALA 103 N 2.11 3.43 -0.48 3.97 0.00 0.35 -1.35 121.76 129.78 1tij s ALA 103 Ca 0.11 -1.80 0.06 0.00 0.00 0.00 0.00 51.96 50.33 1tij s ALA 103 Cb -0.19 -0.72 0.21 0.00 0.00 0.00 0.00 23.12 22.42 1tij s ALA 103 CO 0.12 0.08 0.73 1.55 0.00 0.00 0.00 175.76 178.24 1tij n VAL 104 N -1.10 -0.19 0.00 0.00 3.14 -1.01 -0.92 118.33 118.25 1tij n VAL 104 Ca -0.04 -1.73 0.00 0.00 -2.96 0.00 0.00 64.34 59.61 1tij n VAL 104 Cb 0.61 0.64 0.00 0.00 -1.06 0.00 0.00 33.84 34.03 1tij n VAL 104 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1tij n PRO 105 N 2.28 0.00 -0.37 1.45 -0.02 -1.26 -1.27 135.00 135.81 1tij n PRO 105 Ca 0.16 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.92 1tij n PRO 105 Cb 0.58 0.00 0.56 0.00 -0.02 0.00 0.00 33.50 34.62 1tij n PRO 105 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1tij h TRP 106 N 0.00 0.60 0.00 6.00 5.08 -1.95 4.30 115.95 129.98 1tij h TRP 106 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1tij h TRP 106 Cb 0.00 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 26.00 1tij h TRP 106 CO 0.00 -0.05 0.00 0.94 -1.28 0.00 0.00 178.44 178.05 1tij n GLN 107 N -4.65 0.25 -2.49 0.12 7.27 -0.40 -4.87 117.38 112.61 1tij n GLN 107 Ca 0.30 0.11 -0.21 0.00 0.07 0.00 0.00 57.00 57.27 1tij n GLN 107 Cb 1.09 -1.50 -0.00 0.00 2.41 0.00 0.00 30.24 32.24 1tij n GLN 107 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tij n GLY 108 N 0.35 -0.50 3.32 1.69 0.00 1.41 -5.00 105.19 106.47 1tij n GLY 108 Ca 0.09 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1tij n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tij s THR 109 N -3.05 1.50 0.00 2.61 -4.23 -1.25 -5.01 115.64 106.22 1tij s THR 109 Ca 0.04 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1tij s THR 109 Cb -0.02 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1tij s THR 109 CO 0.05 -0.59 -0.02 -0.04 -0.54 0.00 0.00 174.62 173.48 1tij s MET 110 N -3.70 0.18 -0.03 3.99 -1.94 -1.26 -2.40 119.30 114.14 1tij s MET 110 Ca 0.22 -0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1tij s MET 110 Cb 0.01 -0.10 0.02 0.00 2.01 0.00 0.00 34.83 36.77 1tij s MET 110 CO 0.06 0.02 -0.05 0.99 -0.01 0.00 0.00 175.02 176.03 1tij s THR 111 N -0.33 0.53 -1.17 2.05 2.01 -0.45 -4.96 115.64 113.31 1tij s THR 111 Ca -0.03 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 1tij s THR 111 Cb -0.03 -0.53 0.10 0.00 0.01 0.00 0.00 72.50 72.06 1tij s THR 111 CO -0.00 0.21 1.52 -0.22 -0.69 0.00 0.00 174.62 175.43 1tij s LEU 112 N 0.65 4.27 0.25 4.42 1.98 -1.26 -0.02 118.68 128.97 1tij s LEU 112 Ca -0.09 -2.35 -0.04 0.00 -2.89 0.00 0.00 54.13 48.76 1tij s LEU 112 Cb -0.12 -2.50 0.39 0.00 0.66 0.00 0.00 46.19 44.62 1tij s LEU 112 CO 0.00 -1.10 1.84 0.28 -1.89 0.00 0.00 176.35 175.47 1tij h SER 113 N 8.05 0.81 -3.81 3.68 0.02 -1.64 -3.43 113.55 117.23 1tij h SER 113 Ca 0.33 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 1tij h SER 113 Cb 0.92 -0.13 -0.23 0.00 0.14 0.00 0.00 62.40 63.10 1tij h SER 113 CO 1.35 0.48 -0.10 -0.75 -1.14 0.00 0.00 176.83 176.68 1tij s LYS 114 N -6.04 0.61 -0.07 3.45 2.20 -1.17 -5.03 119.74 113.70 1tij s LYS 114 Ca -0.12 0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1tij s LYS 114 Cb 0.19 0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.81 1tij s LYS 114 CO 0.79 -0.09 0.02 0.45 -0.36 0.00 0.00 175.35 176.16 1tij s SER 115 N 0.47 1.54 -0.20 1.43 0.15 -1.26 -0.46 113.70 115.37 1tij s SER 115 Ca -0.01 -0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 1tij s SER 115 Cb -0.04 -0.38 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1tij s SER 115 CO -0.02 -0.21 -0.14 -0.89 1.20 0.00 0.00 173.24 173.18 1tij s THR 116 N 2.02 2.49 0.03 6.45 2.01 -0.18 -4.97 115.64 123.49 1tij s THR 116 Ca 0.05 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1tij s THR 116 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1tij s THR 116 CO -0.05 0.46 -0.14 0.00 -0.69 0.00 0.00 174.62 174.20 1tij s GLN 118 N -1.01 2.87 0.39 0.00 0.74 -0.13 -4.97 119.66 117.55 1tij s GLN 118 Ca 0.03 -0.81 -0.04 0.00 0.05 0.00 0.00 55.36 54.59 1tij s GLN 118 Cb -0.07 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.73 1tij s GLN 118 CO 0.01 0.06 0.65 -0.51 -0.55 0.00 0.00 175.29 174.95 1tij s ASP 119 N 0.64 6.34 0.00 6.67 1.11 -1.26 -1.19 116.67 128.98 1tij s ASP 119 Ca -0.12 0.74 0.00 0.00 0.18 0.00 0.00 52.55 53.35 1tij s ASP 119 Cb -0.16 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1tij s ASP 119 CO 0.03 -0.38 0.00 0.00 1.18 0.00 0.00 175.17 175.99