#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ywi n GLY 7 N 0.00 0.32 3.60 -3.96 0.00 -1.26 -5.23 105.19 98.67 2ywi n GLY 7 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 2ywi n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ywi s PRO 9 N 0.00 2.19 0.58 1.61 0.04 -1.26 -5.26 135.00 132.90 2ywi s PRO 9 Ca 0.00 -1.19 -0.15 0.00 0.04 0.00 0.00 61.00 59.70 2ywi s PRO 9 Cb 0.00 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2ywi s PRO 9 CO 0.00 0.45 1.03 0.00 0.04 0.00 0.00 177.00 178.52 2ywi s ALA 10 N -1.67 2.85 0.15 8.56 0.00 -1.26 -4.49 121.76 125.90 2ywi s ALA 10 Ca 0.25 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.55 2ywi s ALA 10 Cb -0.09 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2ywi s ALA 10 CO 0.16 -0.67 -0.14 0.14 0.00 0.00 0.00 175.76 175.25 2ywi s VAL 11 N -2.60 1.47 0.29 0.00 -7.23 -0.04 -4.93 120.40 107.35 2ywi s VAL 11 Ca 0.61 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 2ywi s VAL 11 Cb -0.14 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 2ywi s VAL 11 CO 0.38 -0.47 0.23 -1.61 -0.31 0.00 0.00 175.10 173.32 2ywi s GLU 12 N -2.98 2.81 0.58 4.82 2.02 -1.26 -1.68 118.70 123.01 2ywi s GLU 12 Ca 0.13 -1.18 -0.19 0.00 0.02 0.00 0.00 54.97 53.75 2ywi s GLU 12 Cb -0.03 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 2ywi s GLU 12 CO 0.04 0.26 0.96 0.43 0.02 0.00 0.00 175.26 176.97 2ywi n SER 13 N -1.25 0.77 -0.01 -0.19 7.64 -0.61 -4.70 113.62 115.26 2ywi n SER 13 Ca -0.05 0.82 -0.01 0.00 1.01 0.00 0.00 58.87 60.65 2ywi n SER 13 Cb 0.59 -1.38 -0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2ywi n SER 13 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2ywi h ASN 14 N 0.59 0.00 -3.81 6.43 -0.26 -1.94 -3.46 115.58 113.12 2ywi h ASN 14 Ca -0.48 0.00 -0.68 0.00 -0.56 0.00 0.00 56.30 54.58 2ywi h ASN 14 Cb 1.36 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 38.38 2ywi h ASN 14 CO 0.51 0.15 -0.76 0.12 -1.06 0.00 0.00 177.43 176.39 2ywi s PHE 16 N -1.22 2.75 0.17 1.19 5.36 -1.26 -5.17 117.98 119.80 2ywi s PHE 16 Ca -0.02 -0.27 -0.33 0.00 -0.96 0.00 0.00 56.93 55.34 2ywi s PHE 16 Cb 0.00 -1.69 -0.13 0.00 -0.34 0.00 0.00 43.02 40.86 2ywi s PHE 16 CO 0.03 0.09 1.66 -2.30 -1.46 0.00 0.00 175.22 173.24 2ywi n PRO 17 N 2.64 2.42 -2.00 10.12 -0.02 -1.26 -4.91 135.00 141.99 2ywi n PRO 17 Ca -0.17 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.78 2ywi n PRO 17 Cb 0.52 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 2ywi n PRO 17 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ywi s LEU 18 N 1.20 4.34 0.00 2.45 1.43 -1.26 -2.21 118.68 124.63 2ywi s LEU 18 Ca 0.78 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 56.68 2ywi s LEU 18 Cb -0.60 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2ywi s LEU 18 CO 0.36 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2ywi n GLY 19 N 0.66 3.02 3.77 -3.19 0.00 0.19 -4.93 105.19 104.71 2ywi n GLY 19 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2ywi n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ywi s LYS 20 N -0.64 4.36 0.29 1.61 2.20 -0.94 -4.46 119.74 122.16 2ywi s LYS 20 Ca 0.00 1.68 -0.29 0.00 -0.36 0.00 0.00 55.97 57.00 2ywi s LYS 20 Cb 0.00 -2.84 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 2ywi s LYS 20 CO 0.00 -0.01 1.26 -1.14 -0.36 0.00 0.00 175.35 175.10 2ywi s GLN 21 N -2.01 4.43 0.05 4.03 2.00 -1.26 -1.18 119.66 125.72 2ywi s GLN 21 Ca 0.52 2.09 -0.30 0.00 -2.00 0.00 0.00 55.36 55.66 2ywi s GLN 21 Cb -0.27 -3.12 -0.08 0.00 0.80 0.00 0.00 33.01 30.33 2ywi s GLN 21 CO 0.35 -0.10 1.67 0.00 -0.50 0.00 0.00 175.29 176.70 2ywi s ALA 22 N -0.89 3.67 0.60 1.58 0.00 -0.27 -4.93 121.76 121.51 2ywi s ALA 22 Ca 0.49 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 2ywi s ALA 22 Cb -0.37 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 2ywi s ALA 22 CO 0.47 -1.17 1.26 -2.14 0.00 0.00 0.00 175.76 174.18 2ywi s PRO 23 N 2.96 2.88 0.83 0.00 0.02 -1.26 -4.97 135.00 135.45 2ywi s PRO 23 Ca 0.74 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 2ywi s PRO 23 Cb -0.39 -1.97 0.09 0.00 0.02 0.00 0.00 34.50 32.26 2ywi s PRO 23 CO 0.32 -1.31 1.10 -1.25 -0.33 0.00 0.00 177.00 175.53 2ywi s PRO 24 N -3.25 1.78 -0.17 5.54 0.04 -1.26 -4.97 135.00 132.70 2ywi s PRO 24 Ca 0.78 1.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 2ywi s PRO 24 Cb -0.34 -1.84 0.09 0.00 0.04 0.00 0.00 34.50 32.44 2ywi s PRO 24 CO 0.38 -1.98 0.82 -0.59 0.04 0.00 0.00 177.00 175.66 2ywi s PHE 25 N -2.85 -0.60 -0.26 0.56 -0.12 -1.26 -4.93 117.98 108.51 2ywi s PHE 25 Ca 0.63 1.24 -0.04 0.00 -0.05 0.00 0.00 56.93 58.71 2ywi s PHE 25 Cb -0.18 0.37 0.10 0.00 -0.63 0.00 0.00 43.02 42.68 2ywi s PHE 25 CO 0.57 -0.43 0.16 0.00 -0.05 0.00 0.00 175.22 175.47 2ywi s ALA 26 N -0.51 0.33 0.07 1.99 0.00 -1.26 -1.69 121.76 120.69 2ywi s ALA 26 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2ywi s ALA 26 Cb -0.02 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2ywi s ALA 26 CO 0.03 -1.54 -0.09 -0.51 0.00 0.00 0.00 175.76 173.65 2ywi s LEU 27 N 2.17 2.35 0.05 0.00 1.43 -0.14 -4.90 118.68 119.64 2ywi s LEU 27 Ca 0.08 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2ywi s LEU 27 Cb -0.16 -0.24 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 2ywi s LEU 27 CO -0.29 -0.25 1.09 -0.89 0.23 0.00 0.00 176.35 176.24 2ywi s THR 28 N -2.10 4.38 -0.28 5.49 2.01 -1.26 0.57 115.64 124.45 2ywi s THR 28 Ca -0.00 1.74 -0.21 0.00 0.31 0.00 0.00 61.69 63.53 2ywi s THR 28 Cb -0.05 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2ywi s THR 28 CO -0.00 0.15 0.67 0.21 -0.69 0.00 0.00 174.62 174.96 2ywi s ASN 29 N 0.91 6.59 0.58 3.53 2.47 0.76 -2.29 114.94 127.48 2ywi s ASN 29 Ca 0.55 0.65 0.36 0.00 0.42 0.00 0.00 52.86 54.84 2ywi s ASN 29 Cb -0.26 -2.36 1.60 0.00 -1.45 0.00 0.00 41.25 38.78 2ywi s ASN 29 CO 0.29 -0.46 2.07 -0.37 -3.72 0.00 0.00 177.10 174.91 2ywi h VAL 30 N 5.48 0.00 -0.62 -5.21 -1.51 -1.57 0.26 116.25 113.08 2ywi h VAL 30 Ca -0.26 -0.40 -0.10 0.00 -1.23 0.00 0.00 66.70 64.71 2ywi h VAL 30 Cb 1.11 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2ywi h VAL 30 CO 0.81 0.00 0.00 0.40 -1.23 0.00 0.00 177.57 177.55 2ywi h ILE 31 N 0.00 1.27 0.00 7.19 2.04 -1.93 -3.37 117.51 122.71 2ywi h ILE 31 Ca 0.00 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2ywi h ILE 31 Cb 0.40 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2ywi h ILE 31 CO 0.00 0.42 0.00 -0.90 0.00 0.00 0.00 178.15 177.67 2ywi n ASP 32 N -4.18 0.41 0.00 1.72 5.68 -1.19 -5.03 116.55 113.96 2ywi n ASP 32 Ca 0.03 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 2ywi n ASP 32 Cb 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2ywi n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ywi n GLY 33 N -0.01 1.02 3.80 6.12 0.00 0.90 -5.03 105.19 111.99 2ywi n GLY 33 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2ywi n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ywi s ASN 34 N -3.02 6.74 -0.20 1.61 0.02 -1.24 -4.66 114.94 114.19 2ywi s ASN 34 Ca 0.00 1.88 -0.23 0.00 -1.02 0.00 0.00 52.86 53.49 2ywi s ASN 34 Cb 0.00 -2.56 -0.02 0.00 0.02 0.00 0.00 41.25 38.69 2ywi s ASN 34 CO 0.00 -0.50 0.74 -0.69 0.02 0.00 0.00 177.10 176.67 2ywi s VAL 35 N -1.91 4.94 -0.12 1.60 1.01 -1.26 -0.17 120.40 124.48 2ywi s VAL 35 Ca 0.61 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 2ywi s VAL 35 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2ywi s VAL 35 CO 0.20 0.04 -0.03 -0.69 0.00 0.00 0.00 175.10 174.62 2ywi s VAL 36 N 2.19 3.95 0.21 2.92 1.01 0.19 -4.88 120.40 126.00 2ywi s VAL 36 Ca 0.33 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.04 2ywi s VAL 36 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2ywi s VAL 36 CO 0.10 0.54 -0.02 -0.13 0.00 0.00 0.00 175.10 175.59 2ywi s ARG 37 N -0.13 2.29 0.32 2.72 0.52 -1.26 -0.97 118.95 122.44 2ywi s ARG 37 Ca 0.03 -1.25 0.07 0.00 -0.52 0.00 0.00 55.73 54.07 2ywi s ARG 37 Cb -0.13 -2.25 0.78 0.00 0.52 0.00 0.00 34.95 33.88 2ywi s ARG 37 CO 0.02 0.42 1.78 1.25 0.02 0.00 0.00 175.30 178.80 2ywi h LEU 38 N 2.48 0.74 -1.94 2.53 5.85 -1.70 0.26 115.31 123.52 2ywi h LEU 38 Ca -0.46 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2ywi h LEU 38 Cb 1.22 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2ywi h LEU 38 CO 0.58 0.26 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.49 2ywi h GLU 39 N 0.72 0.00 0.00 1.25 3.07 -1.95 -1.77 114.58 115.90 2ywi h GLU 39 Ca 0.57 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.34 2ywi h GLU 39 Cb 0.95 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2ywi h GLU 39 CO -0.36 0.12 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.49 2ywi h ASP 40 N 0.00 0.00 -0.07 1.42 3.32 -0.88 -3.24 116.42 116.96 2ywi h ASP 40 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ywi h ASP 40 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2ywi h ASP 40 CO 0.02 0.44 0.00 1.33 -1.72 0.00 0.00 179.24 179.30 2ywi n VAL 41 N -3.36 0.10 -1.68 -1.35 0.24 -0.89 -4.97 118.33 106.41 2ywi n VAL 41 Ca 0.01 -0.55 -0.45 0.00 -2.04 0.00 0.00 64.34 61.31 2ywi n VAL 41 Cb 0.62 1.27 -0.04 0.00 -1.47 0.00 0.00 33.84 34.22 2ywi n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2ywi n LYS 42 N 0.95 2.45 -3.97 7.34 4.81 -0.72 -4.70 118.16 124.32 2ywi n LYS 42 Ca 0.10 0.89 -0.25 0.00 -0.87 0.00 0.00 58.31 58.19 2ywi n LYS 42 Cb 0.43 -2.76 -0.03 0.00 0.02 0.00 0.00 35.03 32.68 2ywi n LYS 42 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ywi s SER 43 N 3.48 6.24 0.00 3.14 0.15 -1.26 -5.00 113.70 120.45 2ywi s SER 43 Ca 0.88 0.11 0.29 0.00 0.70 0.00 0.00 55.95 57.92 2ywi s SER 43 Cb -0.59 -1.84 1.30 0.00 -1.71 0.00 0.00 66.02 63.18 2ywi s SER 43 CO 0.45 0.02 1.94 0.47 1.20 0.00 0.00 173.24 177.32 2ywi n ASP 44 N -0.76 0.00 0.03 5.45 9.92 -1.26 -4.36 116.55 125.57 2ywi n ASP 44 Ca -0.08 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2ywi n ASP 44 Cb 0.55 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 2ywi n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ywi n ALA 45 N -1.42 3.00 -3.59 2.24 0.00 -1.26 -4.56 120.51 114.91 2ywi n ALA 45 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 2ywi n ALA 45 Cb 0.29 0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 2ywi n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ywi s ALA 46 N -2.00 -1.75 -0.18 0.00 0.00 -1.26 -3.72 121.76 112.85 2ywi s ALA 46 Ca 0.00 1.82 0.01 0.00 0.00 0.00 0.00 51.96 53.79 2ywi s ALA 46 Cb 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.28 2ywi s ALA 46 CO 0.00 -0.34 -0.17 0.99 0.00 0.00 0.00 175.76 176.23 2ywi s THR 47 N -0.03 1.92 -0.27 0.00 2.01 -0.30 -1.64 115.64 117.34 2ywi s THR 47 Ca -0.03 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 2ywi s THR 47 Cb -0.04 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 2ywi s THR 47 CO 0.03 0.45 0.17 -0.69 -0.69 0.00 0.00 174.62 173.90 2ywi s VAL 48 N 1.33 5.22 0.52 3.82 1.01 0.10 -1.15 120.40 131.25 2ywi s VAL 48 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2ywi s VAL 48 Cb -0.14 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2ywi s VAL 48 CO -0.12 0.28 0.33 -0.63 0.00 0.00 0.00 175.10 174.97 2ywi s ILE 49 N 1.59 1.73 -0.25 2.22 1.01 0.10 -1.01 121.20 126.59 2ywi s ILE 49 Ca 0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 2ywi s ILE 49 Cb -0.15 -2.29 0.12 0.00 0.01 0.00 0.00 42.46 40.15 2ywi s ILE 49 CO 0.09 0.00 0.51 -0.36 0.00 0.00 0.00 174.94 175.18 2ywi s PHE 51 N -2.75 -1.08 0.04 3.97 0.08 -0.31 -1.13 117.98 116.80 2ywi s PHE 51 Ca 0.32 1.71 0.01 0.00 0.12 0.00 0.00 56.93 59.09 2ywi s PHE 51 Cb -0.01 0.46 -0.00 0.00 -0.57 0.00 0.00 43.02 42.89 2ywi s PHE 51 CO 0.20 -0.62 0.03 0.44 -0.10 0.00 0.00 175.22 175.16 2ywi n ILE 52 N 5.41 0.00 -3.49 0.64 -5.35 -0.55 -1.49 119.36 114.53 2ywi n ILE 52 Ca -0.08 -0.28 -0.05 0.00 -0.27 0.00 0.00 62.75 62.07 2ywi n ILE 52 Cb 0.50 0.14 0.01 0.00 -1.74 0.00 0.00 39.64 38.54 2ywi n ILE 52 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ywi n ASN 54 N -1.42 0.25 -3.42 0.00 3.02 -1.26 -4.73 115.26 107.69 2ywi n ASN 54 Ca -0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.26 2ywi n ASN 54 Cb 0.29 1.65 -0.08 0.00 -0.61 0.00 0.00 39.78 41.03 2ywi n ASN 54 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2ywi n HIS 55 N -2.37 2.31 -3.76 3.10 8.25 -1.26 -4.95 115.22 116.54 2ywi n HIS 55 Ca -0.12 -3.97 -0.15 0.00 -0.26 0.00 0.00 57.72 53.21 2ywi n HIS 55 Cb 0.72 -0.47 -0.16 0.00 1.12 0.00 0.00 29.99 31.20 2ywi n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ywi h PRO 57 N 7.37 0.00 0.00 0.00 0.13 -1.96 -0.55 132.00 137.00 2ywi h PRO 57 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 2ywi h PRO 57 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2ywi h PRO 57 CO 0.46 0.15 -0.68 0.74 -0.23 0.00 0.00 178.00 178.43 2ywi h PHE 58 N 0.00 0.00 0.07 1.56 0.04 -1.91 -2.07 116.94 114.63 2ywi h PHE 58 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2ywi h PHE 58 Cb 0.28 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.45 2ywi h PHE 58 CO 0.00 0.68 -0.86 0.28 -0.60 0.00 0.00 178.31 177.81 2ywi h VAL 59 N 0.00 1.40 -0.39 -0.55 2.07 -1.58 -3.16 116.25 114.04 2ywi h VAL 59 Ca -0.01 -2.31 0.06 0.00 0.82 0.00 0.00 66.70 65.26 2ywi h VAL 59 Cb 1.22 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.74 2ywi h VAL 59 CO 0.09 0.68 0.27 0.11 0.02 0.00 0.00 177.57 178.73 2ywi h LYS 60 N -0.04 0.26 -0.41 1.57 1.79 -1.07 -0.10 116.57 118.58 2ywi h LYS 60 Ca -0.13 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 2ywi h LYS 60 Cb 1.59 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.16 2ywi h LYS 60 CO 0.17 0.17 0.12 1.25 -1.08 0.00 0.00 179.45 180.08 2ywi h HIS 61 N 0.27 0.60 0.00 -1.35 2.76 -1.34 -3.26 115.15 112.82 2ywi h HIS 61 Ca 0.17 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2ywi h HIS 61 Cb 0.34 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.12 2ywi h HIS 61 CO -0.00 0.50 -0.83 1.33 -1.30 0.00 0.00 177.93 177.63 2ywi n VAL 62 N -4.34 0.00 -0.29 5.26 0.24 -0.38 -4.72 118.33 114.11 2ywi n VAL 62 Ca 0.03 -0.18 0.06 0.00 -2.04 0.00 0.00 64.34 62.21 2ywi n VAL 62 Cb 0.18 0.88 0.16 0.00 -1.47 0.00 0.00 33.84 33.59 2ywi n VAL 62 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2ywi h GLN 63 N 0.00 0.04 -0.72 7.34 4.20 -1.12 -0.30 115.11 124.56 2ywi h GLN 63 Ca 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2ywi h GLN 63 Cb 0.40 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2ywi h GLN 63 CO 0.00 0.03 0.36 1.25 -0.67 0.00 0.00 178.83 179.80 2ywi h HIS 64 N 0.05 1.02 -0.04 2.96 2.76 -1.84 -2.62 115.15 117.43 2ywi h HIS 64 Ca 0.44 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.45 2ywi h HIS 64 Cb 0.76 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2ywi h HIS 64 CO -0.53 0.74 -0.50 1.49 -1.30 0.00 0.00 177.93 177.84 2ywi h GLU 65 N 1.00 0.11 -0.92 5.26 4.57 -1.43 -2.22 114.58 120.95 2ywi h GLU 65 Ca 0.25 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 2ywi h GLU 65 Cb 0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 2ywi h GLU 65 CO -0.03 0.58 0.61 -0.07 -1.18 0.00 0.00 179.01 178.92 2ywi h LEU 66 N 0.09 1.03 -0.10 1.64 3.38 -0.83 0.47 115.31 120.99 2ywi h LEU 66 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2ywi h LEU 66 Cb 0.91 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ywi h LEU 66 CO 0.07 0.73 -0.23 0.58 0.09 0.00 0.00 178.44 179.68 2ywi h VAL 67 N 1.21 1.40 -0.52 1.22 2.07 -1.35 -1.76 116.25 118.52 2ywi h VAL 67 Ca 0.35 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2ywi h VAL 67 Cb -0.06 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2ywi h VAL 67 CO -0.09 0.45 0.34 -0.09 0.02 0.00 0.00 177.57 178.19 2ywi h ARG 68 N -0.13 0.69 0.01 1.57 2.43 -0.95 -1.17 114.38 116.84 2ywi h ARG 68 Ca -0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2ywi h ARG 68 Cb 0.83 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2ywi h ARG 68 CO 0.05 0.47 -0.01 1.25 -1.51 0.00 0.00 179.97 180.22 2ywi h LEU 69 N 0.70 -0.01 -0.97 3.80 5.85 -0.10 -1.89 115.31 122.69 2ywi h LEU 69 Ca 0.19 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2ywi h LEU 69 Cb -0.07 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2ywi h LEU 69 CO -0.04 0.05 0.39 0.00 -0.34 0.00 0.00 178.44 178.50 2ywi h ALA 70 N 0.91 1.20 0.00 1.25 0.00 -1.15 -0.65 119.26 120.83 2ywi h ALA 70 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2ywi h ALA 70 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2ywi h ALA 70 CO 0.00 0.62 -0.33 -0.91 0.00 0.00 0.00 179.25 178.63 2ywi h ASN 71 N 1.12 0.00 0.31 0.00 2.35 -1.05 -3.01 115.58 115.29 2ywi h ASN 71 Ca 0.27 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.72 2ywi h ASN 71 Cb 0.09 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.49 2ywi h ASN 71 CO -0.04 0.33 -1.30 0.44 -1.65 0.00 0.00 177.43 175.21 2ywi h ASP 72 N 0.00 0.74 -2.06 5.81 3.32 -0.64 -3.40 116.42 120.19 2ywi h ASP 72 Ca -0.00 -0.73 -0.76 0.00 0.02 0.00 0.00 57.03 55.56 2ywi h ASP 72 Cb 0.74 -0.24 -0.29 0.00 0.22 0.00 0.00 39.33 39.76 2ywi h ASP 72 CO 0.04 1.56 0.81 -1.22 -1.72 0.00 0.00 179.24 178.71 2ywi n TYR 73 N -3.70 3.01 0.00 4.55 4.02 -0.31 -4.43 117.16 120.29 2ywi n TYR 73 Ca -0.13 -2.56 0.00 0.00 -0.01 0.00 0.00 57.90 55.20 2ywi n TYR 73 Cb 1.02 -1.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 2ywi n TYR 73 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2ywi n PRO 75 N -0.35 0.00 0.00 -0.72 -0.02 -1.26 -2.17 135.00 130.48 2ywi n PRO 75 Ca 0.49 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 62.12 2ywi n PRO 75 Cb 0.29 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.42 2ywi n PRO 75 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ywi n LYS 76 N 0.00 1.39 0.00 -0.52 5.02 -1.26 -4.91 118.16 117.88 2ywi n LYS 76 Ca 0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 2ywi n LYS 76 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2ywi n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ywi n GLY 77 N 1.13 0.68 3.74 0.72 0.00 -1.15 -5.02 105.19 105.29 2ywi n GLY 77 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2ywi n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ywi s VAL 78 N -2.00 4.60 0.01 1.61 1.01 -0.92 -4.50 120.40 120.20 2ywi s VAL 78 Ca 0.00 1.85 -0.08 0.00 0.00 0.00 0.00 61.98 63.75 2ywi s VAL 78 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2ywi s VAL 78 CO 0.00 0.35 0.31 -0.44 0.00 0.00 0.00 175.10 175.32 2ywi s SER 79 N -0.09 6.56 -0.01 3.32 0.01 -0.65 -4.79 113.70 118.05 2ywi s SER 79 Ca 0.42 0.66 0.04 0.00 1.31 0.00 0.00 55.95 58.39 2ywi s SER 79 Cb -0.22 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2ywi s SER 79 CO 0.27 0.26 -0.14 -0.36 0.41 0.00 0.00 173.24 173.67 2ywi s PHE 80 N -1.27 1.27 -0.08 2.43 0.08 -1.26 0.01 117.98 119.16 2ywi s PHE 80 Ca 0.27 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.03 2ywi s PHE 80 Cb -0.14 -0.81 0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2ywi s PHE 80 CO 0.15 -0.02 0.19 0.08 -0.10 0.00 0.00 175.22 175.52 2ywi s VAL 81 N -0.35 -0.04 -0.09 -0.44 1.01 -0.18 -4.17 120.40 116.14 2ywi s VAL 81 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2ywi s VAL 81 Cb -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2ywi s VAL 81 CO -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 175.10 175.11 2ywi s ALA 82 N 1.08 3.06 -0.05 5.51 0.00 -0.69 -4.33 121.76 126.34 2ywi s ALA 82 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2ywi s ALA 82 Cb -0.10 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.66 2ywi s ALA 82 CO -0.06 0.49 -0.12 0.42 0.00 0.00 0.00 175.76 176.49 2ywi s ILE 83 N -0.55 1.11 -0.27 0.00 1.01 -1.26 -0.43 121.20 120.81 2ywi s ILE 83 Ca 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 2ywi s ILE 83 Cb -0.12 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.38 2ywi s ILE 83 CO 0.02 0.34 -0.01 0.21 0.00 0.00 0.00 174.94 175.50 2ywi s ASN 84 N 0.48 4.65 0.00 3.58 3.84 0.91 -1.48 114.94 126.92 2ywi s ASN 84 Ca -0.11 -0.94 0.16 0.00 0.21 0.00 0.00 52.86 52.18 2ywi s ASN 84 Cb -0.14 -1.73 0.12 0.00 -0.55 0.00 0.00 41.25 38.96 2ywi s ASN 84 CO 0.03 -0.18 1.00 -1.20 -2.79 0.00 0.00 177.10 173.96 2ywi n SER 85 N 4.71 2.31 -4.77 -4.21 7.64 -1.26 -1.03 113.62 117.00 2ywi n SER 85 Ca -0.15 -1.65 -0.40 0.00 1.01 0.00 0.00 58.87 57.67 2ywi n SER 85 Cb 0.46 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2ywi n SER 85 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2ywi s ASN 86 N -1.30 6.19 -0.39 6.43 0.01 -1.26 -4.72 114.94 119.90 2ywi s ASN 86 Ca 0.18 2.87 -0.28 0.00 -0.71 0.00 0.00 52.86 54.93 2ywi s ASN 86 Cb 0.13 -2.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2ywi s ASN 86 CO 0.20 -0.95 2.01 -0.62 -1.51 0.00 0.00 177.10 176.22 2ywi s ASP 87 N -0.46 5.42 0.26 -1.22 -1.08 -0.79 -4.83 116.67 113.97 2ywi s ASP 87 Ca 0.57 1.21 0.21 0.00 -0.52 0.00 0.00 52.55 54.01 2ywi s ASP 87 Cb -0.43 -2.52 0.98 0.00 -1.46 0.00 0.00 42.92 39.50 2ywi s ASP 87 CO 0.56 -2.10 1.63 0.00 0.52 0.00 0.00 175.17 175.78 2ywi n ALA 88 N 12.04 1.33 0.10 3.66 0.00 -1.26 -0.91 120.51 135.47 2ywi n ALA 88 Ca 0.26 0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 2ywi n ALA 88 Cb 0.49 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 2ywi n ALA 88 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ywi h GLU 89 N 0.00 0.26 0.03 0.00 4.39 -1.96 -2.80 114.58 114.49 2ywi h GLU 89 Ca 0.00 -0.44 -0.26 0.00 0.34 0.00 0.00 59.36 59.00 2ywi h GLU 89 Cb 0.16 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2ywi h GLU 89 CO 0.00 1.21 -1.34 1.96 -1.16 0.00 0.00 179.01 179.68 2ywi h GLN 90 N 0.07 0.05 -2.80 2.33 4.20 -1.75 -3.40 115.11 113.82 2ywi h GLN 90 Ca -0.13 -0.09 -0.60 0.00 0.06 0.00 0.00 58.65 57.88 2ywi h GLN 90 Cb 1.97 0.03 -0.40 0.00 0.30 0.00 0.00 27.48 29.38 2ywi h GLN 90 CO 0.20 0.86 -0.78 0.71 -0.67 0.00 0.00 178.83 179.15 2ywi s TYR 91 N -2.65 1.91 0.60 2.96 2.02 -0.08 -4.99 117.35 117.11 2ywi s TYR 91 Ca -0.03 -2.49 0.29 0.00 -0.37 0.00 0.00 57.07 54.47 2ywi s TYR 91 Cb 0.09 -1.68 1.51 0.00 -0.40 0.00 0.00 41.96 41.47 2ywi s TYR 91 CO 0.83 -0.75 1.92 -1.35 -1.57 0.00 0.00 175.55 174.62 2ywi h PRO 92 N 6.22 0.00 0.00 -1.71 0.11 -1.73 -0.27 132.00 134.61 2ywi h PRO 92 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2ywi h PRO 92 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2ywi h PRO 92 CO 0.47 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.31 2ywi h GLU 93 N 0.00 0.00 -0.71 1.05 9.09 -1.94 -2.52 114.58 119.55 2ywi h GLU 93 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 2ywi h GLU 93 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 2ywi h GLU 93 CO -0.00 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.81 2ywi n ASP 94 N -2.44 4.40 -4.74 3.06 8.00 -0.11 -4.68 116.55 120.03 2ywi n ASP 94 Ca 0.01 -2.22 -0.31 0.00 0.71 0.00 0.00 54.79 52.98 2ywi n ASP 94 Cb 0.23 -0.54 0.11 0.00 -0.02 0.00 0.00 41.12 40.90 2ywi n ASP 94 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ywi s SER 95 N -0.95 4.11 0.41 -2.24 1.04 -0.95 -4.69 113.70 110.43 2ywi s SER 95 Ca 0.51 1.97 0.07 0.00 0.48 0.00 0.00 55.95 58.98 2ywi s SER 95 Cb 0.30 -2.54 0.86 0.00 0.10 0.00 0.00 66.02 64.73 2ywi s SER 95 CO 0.30 -2.30 2.05 -0.65 0.98 0.00 0.00 173.24 173.62 2ywi h PRO 96 N -1.18 0.55 -0.42 4.02 0.11 -1.93 -2.60 132.00 130.54 2ywi h PRO 96 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2ywi h PRO 96 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2ywi h PRO 96 CO 0.49 0.36 0.15 1.49 -0.21 0.00 0.00 178.00 180.28 2ywi h GLU 97 N 0.56 0.64 -1.87 1.05 4.81 -1.94 -1.82 114.58 116.00 2ywi h GLU 97 Ca 0.16 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2ywi h GLU 97 Cb -0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2ywi h GLU 97 CO -0.04 0.62 0.00 0.09 -0.73 0.00 0.00 179.01 178.95 2ywi n ASN 98 N -4.60 3.49 0.00 1.04 3.02 -0.98 -2.51 115.26 114.72 2ywi n ASN 98 Ca 0.00 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 2ywi n ASN 98 Cb 0.17 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2ywi n ASN 98 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2ywi n LYS 100 N 1.47 0.00 -0.18 3.52 4.81 -0.69 -0.80 118.16 126.29 2ywi n LYS 100 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2ywi n LYS 100 Cb 0.35 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.42 2ywi n LYS 100 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2ywi h LYS 101 N 0.00 0.75 -0.63 1.64 1.57 -1.77 -2.17 116.57 115.96 2ywi h LYS 101 Ca 0.00 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2ywi h LYS 101 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2ywi h LYS 101 CO 0.00 0.63 0.29 0.28 -0.57 0.00 0.00 179.45 180.08 2ywi h VAL 102 N 0.69 1.22 -0.65 0.50 2.07 -1.27 -0.68 116.25 118.13 2ywi h VAL 102 Ca 0.18 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2ywi h VAL 102 Cb 0.14 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2ywi h VAL 102 CO -0.02 0.26 0.43 0.00 0.02 0.00 0.00 177.57 178.26 2ywi h ALA 103 N 1.12 0.83 -0.38 1.67 0.00 -1.76 -0.90 119.26 119.85 2ywi h ALA 103 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2ywi h ALA 103 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2ywi h ALA 103 CO -0.02 0.24 -0.11 0.93 0.00 0.00 0.00 179.25 180.29 2ywi h GLU 104 N 0.87 0.74 -0.63 0.00 5.08 -1.12 0.49 114.58 120.01 2ywi h GLU 104 Ca 0.24 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2ywi h GLU 104 Cb -0.08 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2ywi h GLU 104 CO -0.06 0.89 0.36 1.49 -1.00 0.00 0.00 179.01 180.69 2ywi h GLU 105 N 0.55 0.88 0.00 2.33 4.81 -0.82 -2.79 114.58 119.54 2ywi h GLU 105 Ca 0.09 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ywi h GLU 105 Cb 0.63 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2ywi h GLU 105 CO 0.04 0.65 -0.68 1.28 -0.73 0.00 0.00 179.01 179.58 2ywi n LEU 106 N -4.56 0.62 -2.29 1.64 4.77 -0.37 -4.98 117.00 111.84 2ywi n LEU 106 Ca 0.05 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 2ywi n LEU 106 Cb 0.08 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2ywi n LEU 106 CO 0.37 0.02 0.10 0.61 -1.33 0.00 0.00 177.39 177.15 2ywi n GLY 107 N 1.39 0.05 3.69 -0.72 0.00 0.15 -4.94 105.19 104.82 2ywi n GLY 107 Ca 0.04 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2ywi n GLY 107 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ywi s TYR 108 N -3.19 2.07 -2.29 1.61 2.02 -0.22 -4.87 117.35 112.49 2ywi s TYR 108 Ca 0.15 -0.07 0.29 0.00 -0.37 0.00 0.00 57.07 57.06 2ywi s TYR 108 Cb -0.06 -4.19 1.17 0.00 -0.40 0.00 0.00 41.96 38.47 2ywi s TYR 108 CO 0.40 -4.96 1.81 -0.35 -1.57 0.00 0.00 175.55 170.89 2ywi n PRO 109 N 5.82 1.41 -4.35 -1.71 -0.04 -1.26 -4.89 135.00 129.97 2ywi n PRO 109 Ca 0.18 -0.72 -0.24 0.00 -0.04 0.00 0.00 63.50 62.68 2ywi n PRO 109 Cb 0.38 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 2ywi n PRO 109 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ywi s PHE 110 N -2.08 2.53 0.62 0.54 -0.12 -1.26 -5.08 117.98 113.13 2ywi s PHE 110 Ca 0.38 -0.40 -0.17 0.00 -0.05 0.00 0.00 56.93 56.68 2ywi s PHE 110 Cb 0.21 -1.39 -0.02 0.00 -0.63 0.00 0.00 43.02 41.19 2ywi s PHE 110 CO 0.37 0.53 1.16 -1.25 -0.05 0.00 0.00 175.22 175.97 2ywi s PRO 111 N -3.68 2.90 -0.33 1.99 0.04 -1.26 -4.87 135.00 129.78 2ywi s PRO 111 Ca 0.34 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.03 2ywi s PRO 111 Cb -0.01 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.69 2ywi s PRO 111 CO 0.19 -1.22 0.07 -0.47 0.04 0.00 0.00 177.00 175.61 2ywi s TYR 112 N -1.91 3.02 0.07 0.56 5.04 -1.26 -1.71 117.35 121.16 2ywi s TYR 112 Ca 0.73 -2.56 -0.10 0.00 -2.44 0.00 0.00 57.07 52.71 2ywi s TYR 112 Cb -0.26 -2.49 -0.06 0.00 0.35 0.00 0.00 41.96 39.51 2ywi s TYR 112 CO 0.36 -0.92 0.38 -0.51 -1.34 0.00 0.00 175.55 173.52 2ywi s LEU 113 N 1.14 4.35 -0.18 6.97 1.43 0.42 -1.46 118.68 131.35 2ywi s LEU 113 Ca 0.11 0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 2ywi s LEU 113 Cb -0.18 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2ywi s LEU 113 CO -0.14 0.18 0.00 -0.72 0.23 0.00 0.00 176.35 175.91 2ywi s TYR 114 N -1.38 3.08 -0.98 0.29 -0.85 -0.97 -0.06 117.35 116.48 2ywi s TYR 114 Ca 0.32 -0.28 -0.04 0.00 -0.52 0.00 0.00 57.07 56.55 2ywi s TYR 114 Cb -0.14 -2.04 0.25 0.00 0.38 0.00 0.00 41.96 40.40 2ywi s TYR 114 CO 0.18 -0.08 0.93 -3.47 -1.52 0.00 0.00 175.55 171.59 2ywi n ASP 115 N 3.85 4.76 -0.25 -0.18 2.03 -0.20 -4.32 116.55 122.25 2ywi n ASP 115 Ca -0.17 -3.11 -0.04 0.00 0.52 0.00 0.00 54.79 51.98 2ywi n ASP 115 Cb 0.52 -1.17 0.06 0.00 -0.72 0.00 0.00 41.12 39.81 2ywi n ASP 115 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2ywi h GLU 116 N 6.17 0.87 0.00 -0.67 4.22 -1.88 -2.46 114.58 120.84 2ywi h GLU 116 Ca 0.17 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.56 2ywi h GLU 116 Cb 0.82 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2ywi h GLU 116 CO 0.93 0.58 -0.00 1.79 -2.18 0.00 0.00 179.01 180.13 2ywi h THR 117 N 0.90 0.00 0.00 0.32 1.35 -1.92 -3.47 112.91 110.09 2ywi h THR 117 Ca 0.26 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2ywi h THR 117 Cb -0.06 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2ywi h THR 117 CO -0.08 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.19 2ywi n GLN 118 N -3.10 -0.61 0.06 4.72 6.02 -0.93 -4.87 117.38 118.67 2ywi n GLN 118 Ca 0.02 0.15 0.02 0.00 -0.01 0.00 0.00 57.00 57.19 2ywi n GLN 118 Cb 0.41 -3.67 0.38 0.00 1.02 0.00 0.00 30.24 28.38 2ywi n GLN 118 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2ywi h GLU 119 N 0.87 0.39 -0.11 -1.09 4.81 -1.90 -1.95 114.58 115.60 2ywi h GLU 119 Ca 0.00 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 2ywi h GLU 119 Cb 0.31 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.63 2ywi h GLU 119 CO 0.00 0.41 -0.57 0.28 -0.73 0.00 0.00 179.01 178.40 2ywi h VAL 120 N 0.39 1.35 -0.57 0.32 2.07 -1.92 -2.14 116.25 115.74 2ywi h VAL 120 Ca 0.09 -1.87 0.01 0.00 0.82 0.00 0.00 66.70 65.75 2ywi h VAL 120 Cb 0.23 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2ywi h VAL 120 CO 0.00 0.57 0.38 0.00 0.02 0.00 0.00 177.57 178.54 2ywi h ALA 121 N 0.49 0.73 -0.84 1.67 0.00 -1.87 -1.35 119.26 118.08 2ywi h ALA 121 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ywi h ALA 121 Cb 1.21 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2ywi h ALA 121 CO 0.12 0.15 0.43 0.87 0.00 0.00 0.00 179.25 180.82 2ywi h LYS 122 N 0.77 1.19 -0.21 0.00 1.57 -1.36 0.55 116.57 119.08 2ywi h LYS 122 Ca 0.21 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2ywi h LYS 122 Cb -0.08 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 2ywi h LYS 122 CO -0.05 0.89 -0.26 0.00 -0.57 0.00 0.00 179.45 179.46 2ywi h ALA 123 N 1.28 1.17 -0.01 3.86 0.00 -0.80 -1.94 119.26 122.83 2ywi h ALA 123 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ywi h ALA 123 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ywi h ALA 123 CO -0.04 0.53 -0.19 0.66 0.00 0.00 0.00 179.25 180.21 2ywi n TYR 124 N -4.13 0.00 -3.47 0.00 4.01 -0.56 -4.81 117.16 108.21 2ywi n TYR 124 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 2ywi n TYR 124 Cb 0.40 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.34 2ywi n TYR 124 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2ywi n ASP 125 N -0.65 -5.35 -4.76 7.72 2.03 -0.01 -4.79 116.55 110.74 2ywi n ASP 125 Ca 0.14 -0.50 -0.38 0.00 0.52 0.00 0.00 54.79 54.56 2ywi n ASP 125 Cb 0.33 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.44 2ywi n ASP 125 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ywi s ALA 126 N -3.19 3.05 0.00 -1.67 0.00 -0.10 -4.49 121.76 115.35 2ywi s ALA 126 Ca 0.49 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2ywi s ALA 126 Cb -0.23 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2ywi s ALA 126 CO 0.60 -0.88 0.00 0.00 0.00 0.00 0.00 175.76 175.49 2ywi n ALA 127 N -0.36 1.88 -2.33 0.00 0.00 -1.26 -4.80 120.51 113.64 2ywi n ALA 127 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 2ywi n ALA 127 Cb 0.46 0.29 -0.09 0.00 0.00 0.00 0.00 19.45 20.10 2ywi n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ywi s THR 129 N -3.58 1.43 0.27 0.00 -4.23 -0.18 -3.13 115.64 106.20 2ywi s THR 129 Ca 0.36 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 60.15 2ywi s THR 129 Cb 0.05 -1.35 -0.08 0.00 1.34 0.00 0.00 72.50 72.45 2ywi s THR 129 CO 0.18 0.43 0.70 -2.16 -0.54 0.00 0.00 174.62 173.24 2ywi s PRO 130 N 1.44 4.07 -0.09 3.99 0.04 -1.26 -2.56 135.00 140.63 2ywi s PRO 130 Ca 0.03 0.69 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 2ywi s PRO 130 Cb -0.13 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.79 2ywi s PRO 130 CO -0.08 0.28 -0.06 0.34 0.04 0.00 0.00 177.00 177.52 2ywi s ASP 131 N -2.02 1.83 -0.05 6.66 -1.08 -0.56 -4.47 116.67 116.99 2ywi s ASP 131 Ca 0.48 -0.22 -0.01 0.00 -0.52 0.00 0.00 52.55 52.28 2ywi s ASP 131 Cb -0.13 -0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 40.61 2ywi s ASP 131 CO 0.19 -0.11 0.02 -0.36 0.52 0.00 0.00 175.17 175.42 2ywi s PHE 132 N 1.57 3.16 0.00 -5.34 0.08 -1.14 -1.16 117.98 115.14 2ywi s PHE 132 Ca 0.01 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.23 2ywi s PHE 132 Cb -0.13 -1.74 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 2ywi s PHE 132 CO -0.05 0.48 -0.02 0.71 -0.10 0.00 0.00 175.22 176.24 2ywi s TYR 133 N -1.00 0.17 -0.06 0.36 2.02 -0.28 -1.38 117.35 117.17 2ywi s TYR 133 Ca 0.17 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 2ywi s TYR 133 Cb -0.11 -0.11 0.01 0.00 -0.40 0.00 0.00 41.96 41.35 2ywi s TYR 133 CO 0.07 -0.03 -0.11 0.42 -1.57 0.00 0.00 175.55 174.33 2ywi s ILE 134 N -0.26 1.04 0.10 2.71 1.01 0.37 -0.73 121.20 125.45 2ywi s ILE 134 Ca -0.02 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.30 2ywi s ILE 134 Cb -0.02 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2ywi s ILE 134 CO -0.00 0.33 -0.23 -0.36 0.00 0.00 0.00 174.94 174.68 2ywi s PHE 135 N 0.70 2.40 0.25 3.97 0.08 -0.30 -1.06 117.98 124.01 2ywi s PHE 135 Ca -0.14 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 2ywi s PHE 135 Cb -0.16 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.02 2ywi s PHE 135 CO 0.03 0.30 0.33 -0.40 -0.10 0.00 0.00 175.22 175.39 2ywi n ASP 136 N 1.11 0.21 -0.02 1.36 5.68 -0.16 -1.15 116.55 123.58 2ywi n ASP 136 Ca -0.17 -1.23 0.21 0.00 -0.50 0.00 0.00 54.79 53.09 2ywi n ASP 136 Cb 0.53 -0.24 0.68 0.00 -1.14 0.00 0.00 41.12 40.95 2ywi n ASP 136 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2ywi h ARG 137 N 0.00 0.02 -0.61 0.11 0.11 -1.76 0.36 114.38 112.62 2ywi h ARG 137 Ca -0.11 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2ywi h ARG 137 Cb 0.35 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2ywi h ARG 137 CO 0.09 0.01 0.00 -0.25 0.10 0.00 0.00 179.97 179.93 2ywi n ASP 138 N -4.37 3.56 -2.04 0.08 8.00 -1.26 -4.89 116.55 115.62 2ywi n ASP 138 Ca 0.11 -2.23 -0.18 0.00 0.71 0.00 0.00 54.79 53.20 2ywi n ASP 138 Cb 0.63 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 2ywi n ASP 138 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ywi n LEU 139 N 0.94 -1.84 -4.82 0.64 4.77 0.13 -4.92 117.00 111.90 2ywi n LEU 139 Ca 0.20 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 2ywi n LEU 139 Cb 0.64 -2.57 -0.07 0.00 -2.33 0.00 0.00 43.42 39.10 2ywi n LEU 139 CO 0.17 -0.17 -0.10 -0.54 -1.33 0.00 0.00 177.39 175.42 2ywi s LYS 140 N -4.91 3.79 0.07 3.23 -0.14 -1.26 -1.12 119.74 119.40 2ywi s LYS 140 Ca 0.01 -0.02 -0.31 0.00 -1.36 0.00 0.00 55.97 54.29 2ywi s LYS 140 Cb -0.01 -3.28 -0.08 0.00 -1.68 0.00 0.00 37.83 32.79 2ywi s LYS 140 CO 0.01 0.59 1.68 0.00 -0.76 0.00 0.00 175.35 176.88 2ywi n VAL 142 N 4.79 0.00 -3.62 0.00 0.24 -0.22 -0.63 118.33 118.89 2ywi n VAL 142 Ca 0.16 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.34 61.92 2ywi n VAL 142 Cb 0.40 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.61 2ywi n VAL 142 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2ywi s TYR 143 N -1.30 -0.66 -0.17 6.34 5.04 -1.12 -4.86 117.35 120.61 2ywi s TYR 143 Ca 0.00 1.44 -0.28 0.00 -2.44 0.00 0.00 57.07 55.79 2ywi s TYR 143 Cb 0.01 0.29 0.07 0.00 0.35 0.00 0.00 41.96 42.68 2ywi s TYR 143 CO 0.06 -0.44 0.71 -0.98 -1.34 0.00 0.00 175.55 173.56 2ywi s ARG 144 N -0.29 0.92 0.00 4.97 3.03 -1.26 -0.48 118.95 125.84 2ywi s ARG 144 Ca -0.05 0.66 0.00 0.00 2.03 0.00 0.00 55.73 58.37 2ywi s ARG 144 Cb -0.03 0.44 0.00 0.00 -1.03 0.00 0.00 34.95 34.33 2ywi s ARG 144 CO 0.04 -0.20 0.00 0.41 -1.13 0.00 0.00 175.30 174.42 2ywi n GLY 145 N 1.88 0.34 3.80 3.88 0.00 -0.48 -4.59 105.19 110.02 2ywi n GLY 145 Ca -0.16 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 2ywi n GLY 145 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ywi s GLN 146 N -1.10 2.30 -0.02 1.61 -2.07 -0.16 -2.89 119.66 117.33 2ywi s GLN 146 Ca 0.00 0.81 -0.17 0.00 -1.82 0.00 0.00 55.36 54.18 2ywi s GLN 146 Cb 0.00 -1.93 -0.33 0.00 -1.09 0.00 0.00 33.01 29.66 2ywi s GLN 146 CO 0.00 -1.51 0.89 1.25 -1.32 0.00 0.00 175.29 174.59 2ywi h LEU 147 N -1.02 0.67 0.00 2.60 5.85 -1.94 -3.41 115.31 118.07 2ywi h LEU 147 Ca -0.46 -0.93 0.13 0.00 0.84 0.00 0.00 57.88 57.46 2ywi h LEU 147 Cb 1.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2ywi h LEU 147 CO 0.57 1.62 0.43 -0.90 -0.34 0.00 0.00 178.44 179.82 2ywi n ASP 148 N -3.85 -1.07 0.21 1.25 5.68 -1.26 -2.12 116.55 115.39 2ywi n ASP 148 Ca -0.18 -1.51 0.15 0.00 -0.50 0.00 0.00 54.79 52.75 2ywi n ASP 148 Cb 1.00 1.72 0.54 0.00 -1.14 0.00 0.00 41.12 43.24 2ywi n ASP 148 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2ywi h ASP 149 N 1.29 0.00 -4.07 -1.12 3.32 -1.95 -3.46 116.42 110.43 2ywi h ASP 149 Ca -0.17 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.34 2ywi h ASP 149 Cb 0.78 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.45 2ywi h ASP 149 CO 0.23 0.00 0.51 -0.94 -1.72 0.00 0.00 179.24 177.33 2ywi s SER 150 N -5.18 5.27 0.04 6.45 1.04 -1.26 -4.96 113.70 115.09 2ywi s SER 150 Ca 0.04 2.51 -0.09 0.00 0.48 0.00 0.00 55.95 58.88 2ywi s SER 150 Cb 0.09 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2ywi s SER 150 CO 0.51 -1.55 0.18 -0.13 0.98 0.00 0.00 173.24 173.23 2ywi s ARG 151 N -3.14 0.67 0.59 4.02 1.81 -1.26 -5.00 118.95 116.64 2ywi s ARG 151 Ca 0.75 -0.63 0.29 0.00 -1.72 0.00 0.00 55.73 54.41 2ywi s ARG 151 Cb -0.34 0.28 1.51 0.00 -0.45 0.00 0.00 34.95 35.95 2ywi s ARG 151 CO 0.38 -0.19 1.93 -1.35 -0.68 0.00 0.00 175.30 175.39 2ywi h PRO 152 N 3.53 0.00 -0.07 3.54 0.11 -1.95 -2.54 132.00 134.62 2ywi h PRO 152 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2ywi h PRO 152 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ywi h PRO 152 CO 0.48 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 2ywi n ASN 153 N -3.69 2.55 -0.53 -2.05 6.94 -1.26 -4.66 115.26 112.56 2ywi n ASN 153 Ca 0.07 -1.75 0.06 0.00 -0.02 0.00 0.00 54.58 52.94 2ywi n ASN 153 Cb 0.60 -0.03 0.07 0.00 -2.36 0.00 0.00 39.78 38.06 2ywi n ASN 153 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2ywi n ASN 154 N 1.00 2.18 0.00 0.53 0.23 -0.96 -5.01 115.26 113.23 2ywi n ASN 154 Ca 0.11 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.57 2ywi n ASN 154 Cb 0.45 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 2ywi n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ywi n GLY 155 N 0.71 0.44 3.72 4.83 0.00 -1.26 -4.97 105.19 108.67 2ywi n GLY 155 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2ywi n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ywi s ILE 156 N -2.23 3.87 0.45 -0.61 1.01 -1.26 -4.98 121.20 117.45 2ywi s ILE 156 Ca 0.00 1.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.81 2ywi s ILE 156 Cb 0.00 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 2ywi s ILE 156 CO 0.00 0.14 1.32 -2.84 0.00 0.00 0.00 174.94 173.57 2ywi s PRO 157 N 0.67 3.72 0.09 2.79 0.02 -1.26 -4.60 135.00 136.43 2ywi s PRO 157 Ca 0.57 2.18 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 2ywi s PRO 157 Cb -0.31 -2.59 -0.07 0.00 0.02 0.00 0.00 34.50 31.55 2ywi s PRO 157 CO 0.31 -0.71 1.29 0.08 -0.33 0.00 0.00 177.00 177.65 2ywi s VAL 158 N -1.29 3.66 0.00 3.83 1.01 -1.26 -4.68 120.40 121.67 2ywi s VAL 158 Ca 0.61 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2ywi s VAL 158 Cb -0.38 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2ywi s VAL 158 CO 0.48 0.09 0.00 0.35 0.00 0.00 0.00 175.10 176.03 2ywi n THR 159 N 3.91 0.00 -1.17 3.92 -2.24 -1.26 -5.01 114.28 112.43 2ywi n THR 159 Ca 0.10 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 2ywi n THR 159 Cb 0.44 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2ywi n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ywi n GLY 160 N 0.69 0.77 0.32 3.38 0.00 -1.26 -4.92 105.19 104.16 2ywi n GLY 160 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 2ywi n GLY 160 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ywi h GLU 161 N 0.23 0.61 -0.28 1.61 4.81 -1.96 -0.79 114.58 118.81 2ywi h GLU 161 Ca -0.12 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 2ywi h GLU 161 Cb 0.60 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2ywi h GLU 161 CO 0.17 0.40 0.08 0.77 -0.73 0.00 0.00 179.01 179.70 2ywi h SER 162 N 0.62 0.41 0.05 1.04 0.02 -1.75 -0.60 113.55 113.33 2ywi h SER 162 Ca 0.50 -0.21 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 2ywi h SER 162 Cb 0.76 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2ywi h SER 162 CO -0.39 0.51 -0.63 0.40 -1.14 0.00 0.00 176.83 175.59 2ywi h ILE 163 N 0.28 1.33 -0.84 3.27 2.04 -1.30 -2.66 117.51 119.62 2ywi h ILE 163 Ca 0.09 -1.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.02 2ywi h ILE 163 Cb 0.26 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2ywi h ILE 163 CO -0.00 0.59 0.45 0.03 0.00 0.00 0.00 178.15 179.22 2ywi h ARG 164 N 0.42 1.19 -0.60 2.37 3.08 -1.04 -0.17 114.38 119.62 2ywi h ARG 164 Ca -0.01 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 2ywi h ARG 164 Cb 1.19 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2ywi h ARG 164 CO 0.12 0.88 0.09 0.00 -1.07 0.00 0.00 179.97 180.00 2ywi h ALA 165 N 1.24 1.04 -0.29 0.04 0.00 -1.04 -0.85 119.26 119.40 2ywi h ALA 165 Ca 0.30 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2ywi h ALA 165 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ywi h ALA 165 CO -0.05 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.57 2ywi h ALA 166 N 1.18 0.42 -0.59 0.00 0.00 -1.05 -2.44 119.26 116.79 2ywi h ALA 166 Ca 0.19 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2ywi h ALA 166 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ywi h ALA 166 CO 0.01 0.41 0.02 -0.07 0.00 0.00 0.00 179.25 179.61 2ywi h LEU 167 N 0.42 1.00 -0.76 0.00 3.38 -0.89 -1.25 115.31 117.22 2ywi h LEU 167 Ca 0.05 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2ywi h LEU 167 Cb 0.81 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2ywi h LEU 167 CO 0.06 1.05 0.47 0.44 0.09 0.00 0.00 178.44 180.56 2ywi h ASP 168 N 0.92 0.90 -0.16 -0.43 3.32 -1.14 -0.27 116.42 119.55 2ywi h ASP 168 Ca 0.17 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2ywi h ASP 168 Cb 0.53 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2ywi h ASP 168 CO 0.03 0.68 0.07 0.00 -1.72 0.00 0.00 179.24 178.30 2ywi h ALA 169 N 1.25 0.21 -0.80 3.45 0.00 -1.14 -1.31 119.26 120.92 2ywi h ALA 169 Ca 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2ywi h ALA 169 Cb -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2ywi h ALA 169 CO -0.05 -0.21 0.52 -0.07 0.00 0.00 0.00 179.25 179.43 2ywi h LEU 170 N 0.12 0.92 -1.25 0.00 3.38 -0.89 0.96 115.31 118.54 2ywi h LEU 170 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2ywi h LEU 170 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2ywi h LEU 170 CO -0.01 0.68 -0.17 -0.07 0.09 0.00 0.00 178.44 178.96 2ywi h LEU 171 N 1.08 0.00 -2.28 1.67 3.38 -0.93 -3.00 115.31 115.23 2ywi h LEU 171 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2ywi h LEU 171 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2ywi h LEU 171 CO -0.06 0.17 0.00 -0.62 0.09 0.00 0.00 178.44 178.02 2ywi n GLU 172 N -3.35 2.45 -1.75 1.13 1.02 -0.51 -4.96 120.64 114.67 2ywi n GLU 172 Ca 0.00 -2.22 -0.09 0.00 -0.02 0.00 0.00 57.16 54.83 2ywi n GLU 172 Cb 0.39 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2ywi n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ywi n GLY 173 N 1.44 0.48 3.75 0.62 0.00 -0.51 -5.03 105.19 105.93 2ywi n GLY 173 Ca 0.18 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2ywi n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ywi s ARG 174 N -3.66 2.65 0.41 1.61 0.52 0.22 -5.02 118.95 115.67 2ywi s ARG 174 Ca 0.00 -1.21 -0.25 0.00 -0.52 0.00 0.00 55.73 53.75 2ywi s ARG 174 Cb 0.00 -2.39 -0.08 0.00 0.52 0.00 0.00 34.95 33.00 2ywi s ARG 174 CO 0.00 0.38 1.18 -2.14 0.02 0.00 0.00 175.30 174.74 2ywi s PRO 175 N -3.77 4.00 0.30 3.54 0.02 -1.26 -4.08 135.00 133.74 2ywi s PRO 175 Ca 0.32 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 2ywi s PRO 175 Cb -0.07 -2.64 -0.10 0.00 0.02 0.00 0.00 34.50 31.71 2ywi s PRO 175 CO 0.23 -0.37 1.21 0.08 -0.33 0.00 0.00 177.00 177.82 2ywi s VAL 176 N -1.42 3.09 0.23 3.83 1.01 -1.26 -4.88 120.40 120.99 2ywi s VAL 176 Ca 0.58 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2ywi s VAL 176 Cb -0.31 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 2ywi s VAL 176 CO 0.39 0.26 1.01 -2.65 0.00 0.00 0.00 175.10 174.10 2ywi n PRO 177 N 1.03 1.10 -0.21 2.72 -0.02 -1.26 -4.89 135.00 133.48 2ywi n PRO 177 Ca -0.00 0.39 -0.08 0.00 -2.02 0.00 0.00 63.50 61.78 2ywi n PRO 177 Cb 0.43 -1.76 0.02 0.00 -0.02 0.00 0.00 33.50 32.17 2ywi n PRO 177 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ywi h GLU 178 N 2.39 0.93 -6.26 -0.52 4.81 -1.98 -3.42 114.58 110.53 2ywi h GLU 178 Ca -0.40 -0.23 -0.56 0.00 -0.13 0.00 0.00 59.36 58.04 2ywi h GLU 178 Cb 1.35 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2ywi h GLU 178 CO 0.64 0.87 1.17 0.21 -0.73 0.00 0.00 179.01 181.16 2ywi s LYS 179 N -5.29 3.76 -0.09 1.92 2.20 -1.26 -4.97 119.74 116.02 2ywi s LYS 179 Ca -0.12 1.78 -0.01 0.00 -0.36 0.00 0.00 55.97 57.25 2ywi s LYS 179 Cb 0.13 -4.08 0.03 0.00 -1.51 0.00 0.00 37.83 32.40 2ywi s LYS 179 CO 0.82 -1.34 -0.03 -0.65 -0.36 0.00 0.00 175.35 173.78 2ywi s GLN 180 N 4.81 1.02 0.04 4.03 -0.21 -1.26 -5.13 119.66 122.95 2ywi s GLN 180 Ca 0.75 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 56.11 2ywi s GLN 180 Cb -0.27 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 2ywi s GLN 180 CO 0.31 -0.28 -0.01 0.15 -2.12 0.00 0.00 175.29 173.34 2ywi s LYS 181 N 1.82 2.67 0.65 2.91 1.02 -1.26 -5.04 119.74 122.50 2ywi s LYS 181 Ca 0.04 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.16 2ywi s LYS 181 Cb -0.12 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2ywi s LYS 181 CO -0.06 0.59 1.14 -1.25 -0.92 0.00 0.00 175.35 174.84 2ywi s PRO 182 N -1.85 2.78 0.70 -1.68 0.04 -1.26 -0.99 135.00 132.74 2ywi s PRO 182 Ca 0.22 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 2ywi s PRO 182 Cb -0.12 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.55 2ywi s PRO 182 CO 0.13 -1.29 1.00 0.45 0.04 0.00 0.00 177.00 177.33 2ywi s SER 183 N -2.29 4.79 -0.03 6.66 0.15 -1.26 -4.12 113.70 117.60 2ywi s SER 183 Ca 0.70 0.37 -0.06 0.00 0.70 0.00 0.00 55.95 57.66 2ywi s SER 183 Cb -0.23 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.07 2ywi s SER 183 CO 0.39 -1.60 0.14 -0.51 1.20 0.00 0.00 173.24 172.86 2ywi s ILE 184 N -3.22 0.04 0.00 6.45 2.07 -1.26 -1.57 121.20 123.71 2ywi s ILE 184 Ca 0.60 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2ywi s ILE 184 Cb -0.10 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.19 2ywi s ILE 184 CO 0.44 -0.16 0.00 0.61 -1.91 0.00 0.00 174.94 173.92 2ywi n GLY 185 N 2.37 0.50 3.77 1.50 0.00 -0.68 -4.50 105.19 108.16 2ywi n GLY 185 Ca -0.17 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 2ywi n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ywi s SER 187 N -1.28 5.87 0.35 0.00 1.04 -1.26 -1.01 113.70 117.41 2ywi s SER 187 Ca 0.64 2.43 -0.28 0.00 0.48 0.00 0.00 55.95 59.22 2ywi s SER 187 Cb -0.30 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.10 2ywi s SER 187 CO 0.37 -1.13 1.46 -0.63 0.98 0.00 0.00 173.24 174.29 2ywi s ILE 188 N -1.49 2.21 -1.04 -1.02 1.01 -0.82 -4.79 121.20 115.27 2ywi s ILE 188 Ca 0.66 0.20 -0.20 0.00 0.00 0.00 0.00 60.65 61.32 2ywi s ILE 188 Cb -0.32 -3.13 0.10 0.00 0.01 0.00 0.00 42.46 39.12 2ywi s ILE 188 CO 0.38 0.05 1.35 -0.54 0.00 0.00 0.00 174.94 176.18 2ywi s LYS 189 N -1.80 3.70 0.43 2.79 -0.14 -1.26 -5.00 119.74 118.46 2ywi s LYS 189 Ca 0.53 -1.66 -0.25 0.00 -1.36 0.00 0.00 55.97 53.24 2ywi s LYS 189 Cb -0.45 -5.17 -0.08 0.00 -1.68 0.00 0.00 37.83 30.45 2ywi s LYS 189 CO 0.59 -1.99 1.26 -1.58 -0.76 0.00 0.00 175.35 172.87 2ywi s TRP 190 N 3.57 2.82 0.67 3.18 0.52 -1.26 -1.88 118.94 126.56 2ywi s TRP 190 Ca 0.41 1.45 -0.11 0.00 0.02 0.00 0.00 56.10 57.87 2ywi s TRP 190 Cb -0.02 -3.59 -0.01 0.00 -1.15 0.00 0.00 33.47 28.71 2ywi s TRP 190 CO -0.06 -1.94 1.06 0.15 0.02 0.00 0.00 176.95 176.18 2ywi s LYS 191 N -2.39 3.15 0.36 4.98 1.02 -1.26 -4.89 119.74 120.71 2ywi s LYS 191 Ca 0.60 0.63 -0.27 0.00 0.02 0.00 0.00 55.97 56.95 2ywi s LYS 191 Cb -0.35 -2.04 -0.12 0.00 -0.52 0.00 0.00 37.83 34.80 2ywi s LYS 191 CO 0.45 -0.86 1.21 -2.30 -0.92 0.00 0.00 175.35 172.92 2ywi n PRO 192 N -2.92 1.88 -1.81 -1.68 -0.02 -1.26 -4.88 135.00 124.31 2ywi n PRO 192 Ca 0.07 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2ywi n PRO 192 Cb 0.55 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 2ywi n PRO 192 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ywi s SER 193 N -0.44 6.43 0.00 2.55 0.01 -1.26 -5.26 113.70 115.74 2ywi s SER 193 Ca 0.58 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.69 2ywi s SER 193 Cb -0.57 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.04 2ywi s SER 193 CO 0.60 -0.89 0.46 0.00 0.41 0.00 0.00 173.24 173.83