#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2w s GLU 2 N 0.00 3.61 0.77 1.64 2.12 -1.26 -5.02 118.70 120.56 1a2w s GLU 2 Ca 0.00 0.32 -0.12 0.00 0.36 0.00 0.00 54.97 55.54 1a2w s GLU 2 Cb 0.00 -3.92 0.05 0.00 0.26 0.00 0.00 34.13 30.53 1a2w s GLU 2 CO 0.00 -1.28 1.10 0.95 -0.54 0.00 0.00 175.26 175.49 1a2w s THR 3 N 4.02 3.13 0.33 -1.70 -4.23 -1.26 -4.85 115.64 111.07 1a2w s THR 3 Ca 0.41 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 1a2w s THR 3 Cb -0.09 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.82 1a2w s THR 3 CO 0.28 -0.48 1.95 0.00 -0.54 0.00 0.00 174.62 175.83 1a2w h ALA 4 N -0.95 1.56 -0.13 3.99 0.00 -1.99 -0.93 119.26 120.81 1a2w h ALA 4 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1a2w h ALA 4 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1a2w h ALA 4 CO 0.61 0.34 0.05 0.00 0.00 0.00 0.00 179.25 180.25 1a2w h ALA 5 N 1.55 0.17 -0.65 0.00 0.00 -2.00 -1.62 119.26 116.72 1a2w h ALA 5 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1a2w h ALA 5 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1a2w h ALA 5 CO -0.11 -0.23 0.43 0.00 0.00 0.00 0.00 179.25 179.35 1a2w h ALA 6 N 0.88 0.83 -0.97 0.00 0.00 -1.76 -1.78 119.26 116.47 1a2w h ALA 6 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a2w h ALA 6 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1a2w h ALA 6 CO -0.00 0.25 0.64 -0.22 0.00 0.00 0.00 179.25 179.91 1a2w h LYS 7 N 0.88 1.23 -0.47 0.00 3.64 -1.03 -0.76 116.57 120.06 1a2w h LYS 7 Ca 0.24 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1a2w h LYS 7 Cb -0.09 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.43 1a2w h LYS 7 CO -0.06 0.82 0.26 0.35 -2.27 0.00 0.00 179.45 178.55 1a2w h PHE 8 N 1.27 0.63 -0.74 1.91 3.57 -0.47 0.26 116.94 123.37 1a2w h PHE 8 Ca 0.37 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1a2w h PHE 8 Cb -0.08 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 1a2w h PHE 8 CO -0.00 0.47 0.35 0.93 -2.23 0.00 0.00 178.31 177.83 1a2w h GLU 9 N 0.61 1.08 -0.35 1.11 5.08 -0.69 0.26 114.58 121.68 1a2w h GLU 9 Ca 0.16 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1a2w h GLU 9 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1a2w h GLU 9 CO -0.03 0.84 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.44 1a2w h ARG 10 N 1.05 0.74 0.00 2.33 2.43 -0.84 -1.72 114.38 118.36 1a2w h ARG 10 Ca 0.26 -0.33 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 1a2w h ARG 10 Cb 0.13 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1a2w h ARG 10 CO -0.03 0.94 -1.24 1.96 -1.51 0.00 0.00 179.97 180.09 1a2w h GLN 11 N 0.63 0.00 0.00 0.20 4.20 -0.68 -3.42 115.11 116.04 1a2w h GLN 11 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1a2w h GLN 11 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1a2w h GLN 11 CO 0.07 0.72 0.00 0.72 -0.67 0.00 0.00 178.83 179.67 1a2w n HIS 12 N -3.19 0.00 -3.86 2.96 8.25 0.88 -5.06 115.22 115.19 1a2w n HIS 12 Ca -0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.03 1a2w n HIS 12 Cb 0.95 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 32.00 1a2w n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1a2w s MET 13 N -0.60 3.65 -0.42 -0.41 -1.94 -0.65 -4.99 119.30 113.95 1a2w s MET 13 Ca 0.00 -0.17 0.08 0.00 -1.71 0.00 0.00 55.69 53.89 1a2w s MET 13 Cb 0.00 -3.24 0.27 0.00 2.01 0.00 0.00 34.83 33.87 1a2w s MET 13 CO 0.00 0.62 0.72 -3.47 -0.01 0.00 0.00 175.02 172.88 1a2w n ASP 14 N 2.47 -0.75 0.11 3.03 2.03 -1.26 -4.83 116.55 117.35 1a2w n ASP 14 Ca -0.19 -3.01 -0.04 0.00 0.52 0.00 0.00 54.79 52.07 1a2w n ASP 14 Cb 0.54 0.26 0.06 0.00 -0.72 0.00 0.00 41.12 41.26 1a2w n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1a2w h SER 15 N 3.71 0.00 0.43 1.67 0.02 -1.97 -3.31 113.55 114.11 1a2w h SER 15 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a2w h SER 15 Cb 0.96 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1a2w h SER 15 CO 0.40 0.77 0.00 0.28 -1.14 0.00 0.00 176.83 177.14 1a2w h SER 16 N 0.00 0.00 -4.49 3.07 0.02 -2.05 -3.44 113.55 106.66 1a2w h SER 16 Ca -0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1a2w h SER 16 Cb 1.36 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.67 1a2w h SER 16 CO 0.10 0.00 -0.49 0.28 -1.14 0.00 0.00 176.83 175.58 1a2w s THR 17 N -3.82 0.05 0.91 -2.27 -1.32 -1.25 -5.16 115.64 102.79 1a2w s THR 17 Ca -0.02 -0.40 -0.13 0.00 -1.21 0.00 0.00 61.69 59.94 1a2w s THR 17 Cb 0.10 -0.37 0.14 0.00 -1.51 0.00 0.00 72.50 70.86 1a2w s THR 17 CO 0.43 -0.22 1.16 -0.44 -2.21 0.00 0.00 174.62 173.34 1a2w s SER 18 N -0.78 3.55 0.24 8.08 0.01 -1.26 -4.95 113.70 118.58 1a2w s SER 18 Ca -0.09 0.83 -0.31 0.00 1.31 0.00 0.00 55.95 57.69 1a2w s SER 18 Cb -0.05 -1.32 -0.12 0.00 0.21 0.00 0.00 66.02 64.75 1a2w s SER 18 CO 0.01 -2.51 1.68 0.00 0.41 0.00 0.00 173.24 172.83 1a2w s ALA 19 N -3.39 3.88 -0.97 1.44 0.00 -1.26 -4.87 121.76 116.58 1a2w s ALA 19 Ca 0.65 1.58 0.14 0.00 0.00 0.00 0.00 51.96 54.33 1a2w s ALA 19 Cb -0.13 -3.68 0.58 0.00 0.00 0.00 0.00 23.12 19.89 1a2w s ALA 19 CO 0.52 -0.95 1.43 0.00 0.00 0.00 0.00 175.76 176.77 1a2w n ALA 20 N 3.37 1.60 -3.09 0.00 0.00 -1.26 -4.81 120.51 116.32 1a2w n ALA 20 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1a2w n ALA 20 Cb 0.36 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1a2w n ALA 20 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a2w s SER 21 N -3.06 -0.13 0.03 0.00 1.04 -1.26 -5.17 113.70 105.14 1a2w s SER 21 Ca 0.06 -0.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 1a2w s SER 21 Cb 0.09 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1a2w s SER 21 CO 0.24 -1.01 0.15 -0.55 0.98 0.00 0.00 173.24 173.06 1a2w s SER 22 N -2.92 6.09 0.00 7.02 0.15 -1.26 -4.98 113.70 117.80 1a2w s SER 22 Ca 0.13 0.22 0.28 0.00 0.70 0.00 0.00 55.95 57.28 1a2w s SER 22 Cb 0.01 -1.83 1.30 0.00 -1.71 0.00 0.00 66.02 63.78 1a2w s SER 22 CO -0.01 0.22 1.92 -1.54 1.20 0.00 0.00 173.24 175.04 1a2w n SER 23 N 0.71 0.00 -1.28 5.45 3.41 -1.26 -2.76 113.62 117.88 1a2w n SER 23 Ca -0.09 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1a2w n SER 23 Cb 0.52 -0.38 0.29 0.00 -0.26 0.00 0.00 64.21 64.38 1a2w n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a2w n ASN 24 N -1.38 3.74 0.06 4.04 5.15 -1.26 -4.41 115.26 121.19 1a2w n ASN 24 Ca 0.10 -2.00 -0.11 0.00 -0.60 0.00 0.00 54.58 51.98 1a2w n ASN 24 Cb 0.27 -0.42 -0.04 0.00 -0.53 0.00 0.00 39.78 39.05 1a2w n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1a2w h TYR 25 N 4.28 -0.51 -0.69 1.20 5.03 -1.92 -2.04 116.97 122.32 1a2w h TYR 25 Ca 0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1a2w h TYR 25 Cb 0.97 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.44 1a2w h TYR 25 CO 0.42 -0.28 0.38 0.00 -1.32 0.00 0.00 178.16 177.37 1a2w h ASN 27 N 0.95 1.06 0.14 0.00 2.35 -1.78 0.51 115.58 118.80 1a2w h ASN 27 Ca 0.24 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1a2w h ASN 27 Cb 0.03 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1a2w h ASN 27 CO -0.04 0.74 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.80 1a2w h GLN 28 N 1.24 -0.18 -0.64 0.81 5.75 -1.00 -3.21 115.11 117.88 1a2w h GLN 28 Ca 0.37 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.86 1a2w h GLN 28 Cb -0.06 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1a2w h GLN 28 CO -0.10 0.27 0.32 0.52 -2.65 0.00 0.00 178.83 177.19 1a2w h MET 29 N -0.77 0.91 -0.43 1.69 2.86 -0.74 -1.71 114.93 116.75 1a2w h MET 29 Ca -0.02 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1a2w h MET 29 Cb 0.53 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1a2w h MET 29 CO 0.03 0.72 0.15 0.52 1.06 0.00 0.00 176.91 179.39 1a2w h MET 30 N 0.88 0.61 0.20 1.72 2.86 -1.03 -1.57 114.93 118.59 1a2w h MET 30 Ca 0.22 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1a2w h MET 30 Cb 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1a2w h MET 30 CO -0.03 0.52 -0.10 0.87 1.06 0.00 0.00 176.91 179.23 1a2w h LYS 31 N 0.60 -0.26 -0.76 1.72 1.57 -1.49 0.84 116.57 118.80 1a2w h LYS 31 Ca 0.15 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1a2w h LYS 31 Cb 0.15 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1a2w h LYS 31 CO -0.01 0.12 0.50 0.66 -0.57 0.00 0.00 179.45 180.15 1a2w h SER 32 N -0.89 0.78 -0.03 0.86 4.64 -1.28 -0.38 113.55 117.24 1a2w h SER 32 Ca -0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1a2w h SER 32 Cb 0.50 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1a2w h SER 32 CO 0.05 0.53 0.00 0.54 -0.87 0.00 0.00 176.83 177.07 1a2w n ARG 33 N -4.46 1.08 -3.08 4.77 5.12 -0.60 -4.87 116.66 114.62 1a2w n ARG 33 Ca 0.10 -0.12 -0.22 0.00 -1.93 0.00 0.00 57.85 55.68 1a2w n ARG 33 Cb 0.14 -1.05 0.01 0.00 -1.16 0.00 0.00 32.46 30.40 1a2w n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1a2w n ASN 34 N -0.38 -4.79 -0.01 0.55 5.03 -0.15 -4.86 115.26 110.65 1a2w n ASN 34 Ca 0.01 -0.26 0.13 0.00 0.87 0.00 0.00 54.58 55.32 1a2w n ASN 34 Cb 0.04 -3.93 0.35 0.00 -1.02 0.00 0.00 39.78 35.22 1a2w n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1a2w n LEU 35 N -3.72 0.38 -0.38 3.41 4.77 0.28 -3.71 117.00 118.04 1a2w n LEU 35 Ca -0.08 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1a2w n LEU 35 Cb 0.59 -0.31 0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1a2w n LEU 35 CO 0.45 0.09 0.58 0.35 -1.33 0.00 0.00 177.39 177.54 1a2w n THR 36 N -1.48 1.13 0.19 -5.08 -2.24 -1.19 -3.54 114.28 102.07 1a2w n THR 36 Ca 0.06 -1.12 -0.13 0.00 -2.27 0.00 0.00 64.05 60.59 1a2w n THR 36 Cb 0.34 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 1a2w n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1a2w h LYS 37 N 1.14 -0.48 0.00 -0.78 1.63 -1.88 -3.31 116.57 112.87 1a2w h LYS 37 Ca 0.00 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.72 1a2w h LYS 37 Cb 0.70 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 1a2w h LYS 37 CO 0.01 -0.17 -0.79 -0.44 -3.45 0.00 0.00 179.45 174.62 1a2w h ASP 38 N -0.86 0.00 -5.71 4.20 3.32 -1.86 -3.49 116.42 112.02 1a2w h ASP 38 Ca -0.05 0.00 0.30 0.00 0.02 0.00 0.00 57.03 57.30 1a2w h ASP 38 Cb 0.54 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.98 1a2w h ASP 38 CO 0.08 0.49 0.78 0.00 -1.72 0.00 0.00 179.24 178.88 1a2w s ARG 39 N -2.97 0.53 -0.55 3.56 1.70 -1.25 -5.10 118.95 114.87 1a2w s ARG 39 Ca 0.02 -0.30 -0.24 0.00 -0.47 0.00 0.00 55.73 54.74 1a2w s ARG 39 Cb 0.08 0.18 0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1a2w s ARG 39 CO 0.77 -0.24 0.93 0.00 -1.08 0.00 0.00 175.30 175.67 1a2w s LYS 41 N 3.89 4.15 0.23 0.00 2.20 -1.23 -4.89 119.74 124.10 1a2w s LYS 41 Ca 0.30 2.50 -0.06 0.00 -0.36 0.00 0.00 55.97 58.34 1a2w s LYS 41 Cb -0.13 -3.93 0.40 0.00 -1.51 0.00 0.00 37.83 32.66 1a2w s LYS 41 CO 0.19 -0.88 1.72 -1.35 -0.36 0.00 0.00 175.35 174.66 1a2w h PRO 42 N 9.65 0.35 -2.82 4.03 0.11 -1.94 -3.43 132.00 137.95 1a2w h PRO 42 Ca -0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1a2w h PRO 42 Cb 1.22 -0.08 -0.22 0.00 0.11 0.00 0.00 31.00 32.03 1a2w h PRO 42 CO 0.94 0.23 -0.23 0.54 -0.21 0.00 0.00 178.00 179.28 1a2w s VAL 43 N -6.05 0.02 -0.18 3.15 0.11 -1.26 -0.83 120.40 115.36 1a2w s VAL 43 Ca -0.13 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.52 1a2w s VAL 43 Cb 0.20 -0.62 0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1a2w s VAL 43 CO 0.75 -0.11 0.55 0.21 -3.33 0.00 0.00 175.10 173.17 1a2w s ASN 44 N -0.55 -0.56 -0.05 3.54 2.47 -0.56 -5.00 114.94 114.24 1a2w s ASN 44 Ca -0.07 1.02 0.04 0.00 0.42 0.00 0.00 52.86 54.28 1a2w s ASN 44 Cb -0.04 1.04 -0.02 0.00 -1.45 0.00 0.00 41.25 40.78 1a2w s ASN 44 CO 0.03 -0.24 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.12 1a2w s THR 45 N 0.08 2.91 -0.12 -5.21 2.01 -1.26 -0.40 115.64 113.65 1a2w s THR 45 Ca -0.02 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1a2w s THR 45 Cb -0.04 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1a2w s THR 45 CO 0.02 0.59 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.02 1a2w s PHE 46 N -0.66 2.75 -0.06 4.92 0.08 -0.28 -4.96 117.98 119.76 1a2w s PHE 46 Ca 0.10 -0.76 -0.12 0.00 0.12 0.00 0.00 56.93 56.27 1a2w s PHE 46 Cb -0.11 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1a2w s PHE 46 CO 0.01 -0.28 0.29 0.08 -0.10 0.00 0.00 175.22 175.22 1a2w s VAL 47 N 0.38 5.24 -0.31 -0.44 1.01 -1.26 -1.20 120.40 123.82 1a2w s VAL 47 Ca -0.12 0.57 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1a2w s VAL 47 Cb -0.16 -3.58 0.57 0.00 0.00 0.00 0.00 36.38 33.20 1a2w s VAL 47 CO 0.06 0.58 1.58 1.41 0.00 0.00 0.00 175.10 178.73 1a2w n HIS 48 N 2.03 1.59 -3.30 5.22 -0.00 0.16 -4.99 115.22 115.93 1a2w n HIS 48 Ca -0.16 -1.49 -0.20 0.00 -0.00 0.00 0.00 57.72 55.87 1a2w n HIS 48 Cb 0.53 -0.57 0.01 0.00 -0.00 0.00 0.00 29.99 29.96 1a2w n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1a2w s GLU 49 N -3.16 2.54 0.51 -0.41 0.41 -1.26 -4.88 118.70 112.44 1a2w s GLU 49 Ca 0.48 -1.53 -0.20 0.00 -0.41 0.00 0.00 54.97 53.30 1a2w s GLU 49 Cb 0.41 -2.53 -0.07 0.00 -1.78 0.00 0.00 34.13 30.17 1a2w s GLU 49 CO 0.05 -0.43 1.11 -1.54 -0.49 0.00 0.00 175.26 173.96 1a2w s SER 50 N -4.35 5.97 0.31 -0.19 1.04 -1.26 -4.92 113.70 110.30 1a2w s SER 50 Ca 0.52 2.14 0.03 0.00 0.48 0.00 0.00 55.95 59.11 1a2w s SER 50 Cb -0.06 -2.58 0.61 0.00 0.10 0.00 0.00 66.02 64.09 1a2w s SER 50 CO 0.31 -1.04 1.88 0.25 0.98 0.00 0.00 173.24 175.62 1a2w h LEU 51 N 1.47 0.84 -0.47 2.42 5.85 -1.99 -2.23 115.31 121.20 1a2w h LEU 51 Ca -0.50 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1a2w h LEU 51 Cb 1.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1a2w h LEU 51 CO 0.58 0.49 0.29 0.00 -0.34 0.00 0.00 178.44 179.47 1a2w h ALA 52 N 1.54 0.60 -0.82 1.25 0.00 -1.99 -0.21 119.26 119.63 1a2w h ALA 52 Ca 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1a2w h ALA 52 Cb 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1a2w h ALA 52 CO -0.19 0.00 0.39 -0.44 0.00 0.00 0.00 179.25 179.01 1a2w h ASP 53 N 0.59 1.07 -0.33 0.00 3.32 -1.79 -1.36 116.42 117.93 1a2w h ASP 53 Ca 0.18 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1a2w h ASP 53 Cb -0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1a2w h ASP 53 CO -0.07 0.90 -0.28 0.58 -1.72 0.00 0.00 179.24 178.65 1a2w h VAL 54 N 1.17 1.29 -0.27 -1.35 2.07 -1.16 -3.08 116.25 114.92 1a2w h VAL 54 Ca 0.28 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1a2w h VAL 54 Cb 0.12 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1a2w h VAL 54 CO -0.04 0.47 -0.07 1.56 0.02 0.00 0.00 177.57 179.51 1a2w h GLN 55 N 0.54 0.43 0.00 1.57 4.20 -0.81 -2.46 115.11 118.58 1a2w h GLN 55 Ca 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1a2w h GLN 55 Cb 0.85 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1a2w h GLN 55 CO 0.07 0.52 -0.03 0.00 -0.67 0.00 0.00 178.83 178.72 1a2w h ALA 56 N 1.52 1.81 -0.39 3.87 0.00 -1.16 -2.31 119.26 122.60 1a2w h ALA 56 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1a2w h ALA 56 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a2w h ALA 56 CO 0.02 0.04 0.33 0.28 0.00 0.00 0.00 179.25 179.92 1a2w h VAL 57 N 0.00 0.60 0.00 0.00 2.07 -1.44 0.44 116.25 117.92 1a2w h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a2w h VAL 57 Cb 0.06 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1a2w h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1a2w n SER 59 N -1.50 1.77 0.00 0.00 7.64 0.14 -4.99 113.62 116.69 1a2w n SER 59 Ca 0.01 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.22 1a2w n SER 59 Cb 0.06 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1a2w n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a2w n GLN 60 N -0.91 3.64 -1.54 1.43 6.02 -0.57 -5.03 117.38 120.42 1a2w n GLN 60 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1a2w n GLN 60 Cb 0.76 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.97 1a2w n GLN 60 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1a2w n LYS 61 N 0.00 1.21 -2.25 -1.09 4.76 -1.17 -4.82 118.16 114.80 1a2w n LYS 61 Ca 0.00 0.21 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 1a2w n LYS 61 Cb 0.00 -3.00 -0.02 0.00 -1.84 0.00 0.00 35.03 30.17 1a2w n LYS 61 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1a2w s ASN 62 N 9.80 6.73 0.18 4.39 3.84 -1.26 -0.02 114.94 138.59 1a2w s ASN 62 Ca 1.05 1.77 0.07 0.00 0.21 0.00 0.00 52.86 55.96 1a2w s ASN 62 Cb -0.47 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.65 1a2w s ASN 62 CO 0.36 -0.94 -0.15 0.54 -2.79 0.00 0.00 177.10 174.12 1a2w s VAL 63 N 4.08 1.63 0.23 -5.21 0.11 -0.23 -4.93 120.40 116.09 1a2w s VAL 63 Ca 0.63 -2.04 -0.30 0.00 -2.93 0.00 0.00 61.98 57.34 1a2w s VAL 63 Cb -0.25 -1.89 -0.09 0.00 -1.53 0.00 0.00 36.38 32.62 1a2w s VAL 63 CO 0.22 -0.51 0.99 0.00 -3.33 0.00 0.00 175.10 172.48 1a2w s ALA 64 N -2.64 3.35 0.64 1.54 0.00 -1.26 -3.37 121.76 120.02 1a2w s ALA 64 Ca 0.18 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 1a2w s ALA 64 Cb -0.02 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1a2w s ALA 64 CO 0.06 0.06 1.06 0.00 0.00 0.00 0.00 175.76 176.94 1a2w h LYS 66 N -0.12 0.00 -0.64 0.00 1.57 -1.94 -0.95 116.57 114.49 1a2w h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1a2w h LYS 66 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1a2w h LYS 66 CO 0.57 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.72 1a2w n ASN 67 N -2.92 3.97 0.00 0.86 6.94 -1.26 -4.93 115.26 117.91 1a2w n ASN 67 Ca -0.02 -2.27 0.00 0.00 -0.02 0.00 0.00 54.58 52.27 1a2w n ASN 67 Cb 0.09 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 1a2w n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a2w n GLY 68 N 1.19 2.03 3.78 4.83 0.00 -0.36 -5.04 105.19 111.62 1a2w n GLY 68 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1a2w n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a2w s GLN 69 N -0.46 2.09 -0.10 1.61 -1.52 -1.26 -4.75 119.66 115.27 1a2w s GLN 69 Ca 0.00 0.87 0.13 0.00 -1.95 0.00 0.00 55.36 54.41 1a2w s GLN 69 Cb 0.00 -1.90 0.32 0.00 -0.22 0.00 0.00 33.01 31.21 1a2w s GLN 69 CO 0.00 -1.68 1.23 0.25 -0.25 0.00 0.00 175.29 174.84 1a2w n THR 70 N -3.51 1.68 -0.73 -0.19 -2.24 -1.26 -0.18 114.28 107.84 1a2w n THR 70 Ca 0.08 -1.65 -0.19 0.00 -2.27 0.00 0.00 64.05 60.01 1a2w n THR 70 Cb 0.55 0.04 0.13 0.00 -2.10 0.00 0.00 70.33 68.95 1a2w n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1a2w n ASN 71 N -0.57 3.85 -4.65 3.42 6.94 -1.26 -4.79 115.26 118.20 1a2w n ASN 71 Ca 0.14 -3.25 -0.29 0.00 -0.02 0.00 0.00 54.58 51.17 1a2w n ASN 71 Cb 0.61 -0.78 -0.08 0.00 -2.36 0.00 0.00 39.78 37.16 1a2w n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a2w s TYR 73 N -1.43 0.08 -0.11 0.00 1.51 0.05 -1.06 117.35 116.39 1a2w s TYR 73 Ca 0.25 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1a2w s TYR 73 Cb -0.11 -0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1a2w s TYR 73 CO 0.17 -0.08 0.00 -1.14 -1.11 0.00 0.00 175.55 173.39 1a2w s GLN 74 N -0.55 3.19 0.34 -0.62 0.74 0.98 -1.61 119.66 122.14 1a2w s GLN 74 Ca -0.06 -0.42 -0.27 0.00 0.05 0.00 0.00 55.36 54.66 1a2w s GLN 74 Cb -0.04 -2.85 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 1a2w s GLN 74 CO -0.00 0.59 1.18 -1.54 -0.55 0.00 0.00 175.29 174.96 1a2w s SER 75 N -0.56 6.84 0.07 6.67 1.04 -0.38 -3.05 113.70 124.34 1a2w s SER 75 Ca 0.09 2.40 -0.19 0.00 0.48 0.00 0.00 55.95 58.73 1a2w s SER 75 Cb -0.12 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.28 1a2w s SER 75 CO 0.02 -0.46 1.51 1.88 0.98 0.00 0.00 173.24 177.17 1a2w h TYR 76 N 3.21 0.41 -2.28 5.02 0.05 -1.96 -3.43 116.97 117.98 1a2w h TYR 76 Ca -0.48 -0.07 -0.45 0.00 0.05 0.00 0.00 58.73 57.78 1a2w h TYR 76 Cb 1.22 -0.11 0.02 0.00 1.01 0.00 0.00 36.73 38.88 1a2w h TYR 76 CO 0.57 0.56 -0.21 -1.12 -1.05 0.00 0.00 178.16 176.91 1a2w s SER 77 N -5.87 5.86 0.33 3.88 0.01 -1.26 -5.05 113.70 111.60 1a2w s SER 77 Ca -0.14 0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 1a2w s SER 77 Cb 0.07 -1.35 -0.09 0.00 0.21 0.00 0.00 66.02 64.86 1a2w s SER 77 CO 0.73 -0.60 0.75 0.42 0.41 0.00 0.00 173.24 174.95 1a2w s THR 78 N -2.39 4.68 0.10 1.44 -4.23 -1.26 -4.51 115.64 109.47 1a2w s THR 78 Ca 0.47 0.93 0.07 0.00 -1.18 0.00 0.00 61.69 61.98 1a2w s THR 78 Cb -0.10 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1a2w s THR 78 CO 0.35 -0.23 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.99 1a2w s MET 79 N -3.08 1.04 -0.16 3.99 -1.94 0.67 -4.83 119.30 114.99 1a2w s MET 79 Ca 0.54 -1.15 -0.29 0.00 -1.71 0.00 0.00 55.69 53.08 1a2w s MET 79 Cb -0.10 -1.14 -0.01 0.00 2.01 0.00 0.00 34.83 35.59 1a2w s MET 79 CO 0.19 0.25 1.17 -1.12 -0.01 0.00 0.00 175.02 175.50 1a2w s SER 80 N -2.05 7.03 0.27 3.03 0.01 -1.26 -0.94 113.70 119.79 1a2w s SER 80 Ca 0.06 1.61 0.03 0.00 1.31 0.00 0.00 55.95 58.95 1a2w s SER 80 Cb -0.09 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 1a2w s SER 80 CO 0.04 -0.68 0.06 0.27 0.41 0.00 0.00 173.24 173.33 1a2w s ILE 81 N 3.08 0.89 -0.06 1.44 -4.36 -0.04 -0.67 121.20 121.49 1a2w s ILE 81 Ca 0.51 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1a2w s ILE 81 Cb -0.20 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 40.92 1a2w s ILE 81 CO 0.14 -0.08 0.02 -0.89 0.24 0.00 0.00 174.94 174.36 1a2w s THR 82 N -3.51 0.22 -0.20 8.37 2.01 -0.34 -2.29 115.64 119.90 1a2w s THR 82 Ca 0.35 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 1a2w s THR 82 Cb 0.08 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1a2w s THR 82 CO 0.13 0.23 0.35 -1.81 -0.69 0.00 0.00 174.62 172.83 1a2w s ASP 83 N 2.00 6.39 -0.28 3.53 1.01 0.11 -1.13 116.67 128.30 1a2w s ASP 83 Ca 0.04 0.45 -0.07 0.00 0.71 0.00 0.00 52.55 53.69 1a2w s ASP 83 Cb -0.12 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1a2w s ASP 83 CO -0.04 -0.03 0.08 0.00 0.21 0.00 0.00 175.17 175.39 1a2w s ARG 85 N 1.54 3.11 0.21 0.00 0.52 -0.80 -1.49 118.95 122.04 1a2w s ARG 85 Ca 0.04 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.10 1a2w s ARG 85 Cb -0.17 -2.40 -0.11 0.00 0.52 0.00 0.00 34.95 32.79 1a2w s ARG 85 CO 0.03 0.13 1.64 -2.00 0.02 0.00 0.00 175.30 175.13 1a2w s GLU 86 N 0.47 4.16 0.51 3.54 2.12 -0.01 0.08 118.70 129.57 1a2w s GLU 86 Ca -0.14 2.52 -0.20 0.00 0.36 0.00 0.00 54.97 57.50 1a2w s GLU 86 Cb -0.17 -3.09 -0.07 0.00 0.26 0.00 0.00 34.13 31.06 1a2w s GLU 86 CO 0.06 -0.67 1.09 0.99 -0.54 0.00 0.00 175.26 176.19 1a2w s THR 87 N 0.89 3.43 0.60 -1.70 2.01 0.06 -4.82 115.64 116.11 1a2w s THR 87 Ca 0.71 0.91 0.41 0.00 0.31 0.00 0.00 61.69 64.03 1a2w s THR 87 Cb -0.47 -3.38 0.43 0.00 0.01 0.00 0.00 72.50 69.09 1a2w s THR 87 CO 0.35 -0.17 2.32 1.23 -0.69 0.00 0.00 174.62 177.66 1a2w h GLY 88 N 1.45 0.00 -1.05 4.40 0.00 -1.93 -0.81 103.07 105.13 1a2w h GLY 88 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1a2w h GLY 88 CO 0.58 0.00 -0.07 -1.14 0.00 0.00 0.00 176.54 175.91 1a2w n SER 89 N -3.19 2.12 -4.77 0.19 3.41 -1.26 -4.95 113.62 105.16 1a2w n SER 89 Ca -0.03 -1.65 -0.39 0.00 -0.26 0.00 0.00 58.87 56.55 1a2w n SER 89 Cb 0.10 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1a2w n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1a2w s SER 90 N -2.09 6.63 -0.25 4.04 0.15 -0.31 -4.95 113.70 116.91 1a2w s SER 90 Ca 0.31 2.40 -0.12 0.00 0.70 0.00 0.00 55.95 59.24 1a2w s SER 90 Cb 0.20 -2.62 0.09 0.00 -1.71 0.00 0.00 66.02 61.98 1a2w s SER 90 CO 0.36 -0.60 0.58 -0.75 1.20 0.00 0.00 173.24 174.03 1a2w s LYS 91 N -2.13 0.55 0.39 5.44 2.20 -0.92 -4.93 119.74 120.34 1a2w s LYS 91 Ca 0.55 1.17 -0.27 0.00 -0.36 0.00 0.00 55.97 57.05 1a2w s LYS 91 Cb -0.32 0.32 -0.11 0.00 -1.51 0.00 0.00 37.83 36.21 1a2w s LYS 91 CO 0.41 -0.18 1.35 0.98 -0.36 0.00 0.00 175.35 177.55 1a2w n TYR 92 N 4.75 2.45 1.37 4.03 9.36 -1.26 -0.14 117.16 137.71 1a2w n TYR 92 Ca -0.17 0.50 0.15 0.00 3.32 0.00 0.00 57.90 61.70 1a2w n TYR 92 Cb 0.54 -2.44 0.74 0.00 -0.63 0.00 0.00 39.34 37.56 1a2w n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1a2w n PRO 93 N 0.28 0.37 -2.83 2.98 -0.04 -1.26 -4.97 135.00 129.53 1a2w n PRO 93 Ca 0.05 -0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.07 1a2w n PRO 93 Cb 0.38 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1a2w n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1a2w s ASN 94 N -2.63 6.99 0.02 3.54 0.01 0.80 -4.98 114.94 118.68 1a2w s ASN 94 Ca 0.27 -2.80 -0.29 0.00 -0.71 0.00 0.00 52.86 49.33 1a2w s ASN 94 Cb 0.20 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1a2w s ASN 94 CO 0.47 -0.89 0.95 0.00 -1.51 0.00 0.00 177.10 176.12 1a2w s ALA 96 N 0.77 1.88 0.10 0.00 0.00 -1.26 -4.97 121.76 118.28 1a2w s ALA 96 Ca 0.50 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1a2w s ALA 96 Cb -0.21 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1a2w s ALA 96 CO 0.28 0.46 -0.10 0.71 0.00 0.00 0.00 175.76 177.10 1a2w s TYR 97 N -0.54 1.08 -0.13 0.00 1.51 -1.26 -0.76 117.35 117.24 1a2w s TYR 97 Ca 0.09 -0.66 -0.06 0.00 -1.01 0.00 0.00 57.07 55.43 1a2w s TYR 97 Cb -0.09 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1a2w s TYR 97 CO -0.01 0.00 0.08 0.21 -1.11 0.00 0.00 175.55 174.73 1a2w s LYS 98 N -2.86 3.49 -0.16 -0.62 2.20 0.11 -4.70 119.74 117.21 1a2w s LYS 98 Ca 0.06 -0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 55.36 1a2w s LYS 98 Cb -0.02 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1a2w s LYS 98 CO 0.00 0.60 0.00 0.99 -0.36 0.00 0.00 175.35 176.58 1a2w s THR 99 N -0.55 4.26 -0.01 3.43 2.01 -1.26 -1.89 115.64 121.61 1a2w s THR 99 Ca 0.11 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1a2w s THR 99 Cb -0.12 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1a2w s THR 99 CO 0.02 0.49 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.53 1a2w s THR 100 N 0.28 0.26 0.12 -0.82 2.01 -0.76 -5.00 115.64 111.74 1a2w s THR 100 Ca -0.00 -0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.03 1a2w s THR 100 Cb -0.13 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1a2w s THR 100 CO 0.02 0.11 -0.26 -1.10 -0.69 0.00 0.00 174.62 172.70 1a2w s GLN 101 N 0.35 1.39 0.13 4.92 -0.21 -1.26 0.07 119.66 125.04 1a2w s GLN 101 Ca -0.03 -1.31 -0.26 0.00 0.02 0.00 0.00 55.36 53.78 1a2w s GLN 101 Cb -0.06 -1.84 0.07 0.00 1.00 0.00 0.00 33.01 32.18 1a2w s GLN 101 CO -0.01 0.44 1.03 0.00 -2.12 0.00 0.00 175.29 174.63 1a2w s ALA 102 N -1.06 -1.75 -0.35 6.09 0.00 -0.97 -5.01 121.76 118.71 1a2w s ALA 102 Ca 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1a2w s ALA 102 Cb -0.10 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.71 1a2w s ALA 102 CO 0.06 -1.05 0.10 1.21 0.00 0.00 0.00 175.76 176.07 1a2w s ASN 103 N -3.00 5.04 0.15 0.00 2.47 -1.26 -0.86 114.94 117.47 1a2w s ASN 103 Ca 0.14 -1.73 0.00 0.00 0.42 0.00 0.00 52.86 51.69 1a2w s ASN 103 Cb -0.00 -1.75 -0.04 0.00 -1.45 0.00 0.00 41.25 38.00 1a2w s ASN 103 CO 0.02 -0.40 0.03 -0.54 -3.72 0.00 0.00 177.10 172.48 1a2w s LYS 104 N 1.16 1.01 0.22 0.43 1.02 -0.12 -4.73 119.74 118.73 1a2w s LYS 104 Ca 0.03 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 1a2w s LYS 104 Cb -0.21 0.00 -0.08 0.00 -0.52 0.00 0.00 37.83 37.02 1a2w s LYS 104 CO -0.03 -0.20 1.03 -1.01 -0.92 0.00 0.00 175.35 174.22 1a2w s HIS 105 N -3.86 3.75 0.22 3.18 3.76 0.38 -0.24 115.29 122.48 1a2w s HIS 105 Ca 0.24 1.76 0.06 0.00 -0.15 0.00 0.00 55.06 56.97 1a2w s HIS 105 Cb 0.07 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1a2w s HIS 105 CO 0.03 -0.12 0.23 0.96 -0.85 0.00 0.00 174.74 174.98 1a2w s ILE 106 N -0.80 4.72 -0.11 0.60 -4.36 -1.26 -1.14 121.20 118.84 1a2w s ILE 106 Ca 0.45 -1.17 -0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1a2w s ILE 106 Cb -0.28 -3.51 0.03 0.00 1.25 0.00 0.00 42.46 39.95 1a2w s ILE 106 CO 0.35 -0.26 -0.05 -0.63 0.24 0.00 0.00 174.94 174.59 1a2w s ILE 107 N -1.97 0.88 0.20 8.37 1.01 0.12 -1.25 121.20 128.57 1a2w s ILE 107 Ca 0.33 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.80 1a2w s ILE 107 Cb -0.09 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1a2w s ILE 107 CO 0.26 0.29 -0.16 0.68 0.00 0.00 0.00 174.94 176.01 1a2w s VAL 108 N 1.76 1.85 -0.17 2.92 -7.23 -0.63 -0.33 120.40 118.57 1a2w s VAL 108 Ca 0.04 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 57.99 1a2w s VAL 108 Cb -0.13 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1a2w s VAL 108 CO -0.08 -0.49 0.07 0.00 -0.31 0.00 0.00 175.10 174.29 1a2w s ALA 109 N -2.66 3.44 0.31 1.32 0.00 0.11 -0.77 121.76 123.51 1a2w s ALA 109 Ca 0.21 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.54 1a2w s ALA 109 Cb -0.03 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1a2w s ALA 109 CO 0.08 0.23 -0.05 0.00 0.00 0.00 0.00 175.76 176.02 1a2w s GLU 111 N -3.65 0.27 0.40 0.00 -1.05 -0.95 -4.88 118.70 108.84 1a2w s GLU 111 Ca 0.33 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1a2w s GLU 111 Cb -0.02 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1a2w s GLU 111 CO 0.18 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.68 1a2w n GLY 112 N -0.41 -2.33 2.76 -3.83 0.00 -1.26 -2.75 105.19 97.37 1a2w n GLY 112 Ca -0.07 -1.71 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 1a2w n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a2w s ASN 113 N -3.08 1.35 0.73 1.61 2.47 -1.26 -3.18 114.94 113.59 1a2w s ASN 113 Ca 0.00 -0.18 -0.15 0.00 0.42 0.00 0.00 52.86 52.95 1a2w s ASN 113 Cb 0.00 0.36 0.04 0.00 -1.45 0.00 0.00 41.25 40.20 1a2w s ASN 113 CO 0.00 -0.32 1.22 -2.16 -3.72 0.00 0.00 177.10 172.12 1a2w s PRO 114 N 2.32 2.08 -0.59 0.43 0.04 -1.26 -5.07 135.00 132.96 1a2w s PRO 114 Ca 0.06 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 1a2w s PRO 114 Cb -0.15 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1a2w s PRO 114 CO -0.11 -1.89 1.68 -0.47 0.04 0.00 0.00 177.00 176.24 1a2w s TYR 115 N -1.91 1.90 0.18 0.56 5.04 -1.19 -4.89 117.35 117.04 1a2w s TYR 115 Ca 0.76 0.59 0.08 0.00 -2.44 0.00 0.00 57.07 56.05 1a2w s TYR 115 Cb -0.31 -4.23 -0.04 0.00 0.35 0.00 0.00 41.96 37.73 1a2w s TYR 115 CO 0.46 -2.27 -0.15 0.14 -1.34 0.00 0.00 175.55 172.38 1a2w s VAL 116 N 7.71 1.71 0.19 3.14 -7.23 -1.11 -4.88 120.40 119.93 1a2w s VAL 116 Ca 0.61 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.40 1a2w s VAL 116 Cb -0.13 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1a2w s VAL 116 CO 0.22 -0.50 1.45 -2.84 -0.31 0.00 0.00 175.10 173.12 1a2w s PRO 117 N -3.30 4.28 0.00 4.82 0.02 -1.26 -2.23 135.00 137.33 1a2w s PRO 117 Ca 0.19 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1a2w s PRO 117 Cb -0.03 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1a2w s PRO 117 CO 0.06 -0.45 0.00 1.33 -0.33 0.00 0.00 177.00 177.61 1a2w n VAL 118 N 3.16 0.00 -3.69 3.83 0.24 -0.07 -4.96 118.33 116.84 1a2w n VAL 118 Ca 0.10 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1a2w n VAL 118 Cb 0.40 0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 33.55 1a2w n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1a2w s HIS 119 N -1.02 -0.65 -0.34 6.34 5.65 -1.16 -5.01 115.29 119.10 1a2w s HIS 119 Ca 0.00 1.46 -0.22 0.00 0.25 0.00 0.00 55.06 56.54 1a2w s HIS 119 Cb 0.00 0.28 0.00 0.00 -1.18 0.00 0.00 32.58 31.68 1a2w s HIS 119 CO 0.00 -0.33 0.74 0.12 -0.65 0.00 0.00 174.74 174.62 1a2w s PHE 120 N 0.81 3.15 -0.14 3.88 2.19 -1.26 -0.71 117.98 125.90 1a2w s PHE 120 Ca -0.04 0.58 -0.13 0.00 0.33 0.00 0.00 56.93 57.67 1a2w s PHE 120 Cb -0.05 -3.27 -0.10 0.00 -1.31 0.00 0.00 43.02 38.28 1a2w s PHE 120 CO -0.06 -0.65 0.17 0.22 1.83 0.00 0.00 175.22 176.73 1a2w h ASP 121 N 8.36 0.00 -5.55 6.13 3.58 -1.01 -3.48 116.42 124.45 1a2w h ASP 121 Ca -0.25 -0.33 0.22 0.00 0.42 0.00 0.00 57.03 57.09 1a2w h ASP 121 Cb 1.10 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.11 1a2w h ASP 121 CO 0.88 0.87 0.69 0.00 -2.88 0.00 0.00 179.24 178.80 1a2w s ALA 122 N -2.48 -1.88 0.28 -0.78 0.00 -0.86 -4.99 121.76 111.05 1a2w s ALA 122 Ca -0.14 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.67 1a2w s ALA 122 Cb 0.01 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.88 1a2w s ALA 122 CO 0.33 -1.09 -0.06 -1.12 0.00 0.00 0.00 175.76 173.82 1a2w s SER 123 N -3.54 2.77 0.00 0.00 0.01 -1.26 0.16 113.70 111.84 1a2w s SER 123 Ca 0.24 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1a2w s SER 123 Cb -0.02 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1a2w s SER 123 CO 0.03 -0.34 0.00 0.55 0.41 0.00 0.00 173.24 173.89