#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n LEU 2 N 0.00 -7.25 0.13 3.17 4.77 -1.26 -4.95 117.00 111.62 2wdm n LEU 2 Ca 0.00 1.12 -0.13 0.00 -0.03 0.00 0.00 56.01 56.97 2wdm n LEU 2 Cb 0.00 -3.06 -0.08 0.00 -2.33 0.00 0.00 43.42 37.95 2wdm n LEU 2 CO 0.00 -2.69 0.61 0.71 -1.33 0.00 0.00 177.39 174.69 2wdm h THR 3 N 2.50 0.80 -3.19 -5.08 1.35 -2.06 -3.40 112.91 103.84 2wdm h THR 3 Ca 0.00 -0.55 -0.59 0.00 -0.55 0.00 0.00 66.41 64.72 2wdm h THR 3 Cb 0.15 1.11 -0.40 0.00 -1.73 0.00 0.00 68.15 67.27 2wdm h THR 3 CO 0.10 0.12 -0.75 -0.62 -0.25 0.00 0.00 175.52 174.11 2wdm s ASP 4 N -5.13 4.08 0.20 5.36 -1.08 -1.26 -5.01 116.67 113.83 2wdm s ASP 4 Ca -0.15 -1.68 -0.11 0.00 -0.52 0.00 0.00 52.55 50.10 2wdm s ASP 4 Cb 0.03 -0.92 0.22 0.00 -1.46 0.00 0.00 42.92 40.79 2wdm s ASP 4 CO 0.58 -0.41 1.78 -0.65 0.52 0.00 0.00 175.17 176.99 2wdm h PRO 5 N 8.05 0.50 0.34 4.34 0.11 -1.97 -1.97 132.00 141.40 2wdm h PRO 5 Ca -0.13 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 2wdm h PRO 5 Cb 1.01 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2wdm h PRO 5 CO 0.48 0.33 -0.18 0.82 -0.21 0.00 0.00 178.00 179.23 2wdm h ILE 6 N 0.51 0.00 -1.37 4.15 5.03 -1.99 0.17 117.51 124.01 2wdm h ILE 6 Ca 0.28 0.00 0.40 0.00 -0.12 0.00 0.00 64.86 65.41 2wdm h ILE 6 Cb 0.24 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.97 2wdm h ILE 6 CO -0.22 0.00 0.98 0.00 -0.68 0.00 0.00 178.15 178.23 2wdm h ALA 7 N -1.71 3.23 0.65 1.87 0.00 -1.96 0.47 119.26 121.81 2wdm h ALA 7 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2wdm h ALA 7 Cb 0.37 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wdm h ALA 7 CO 0.07 -1.64 -0.31 0.22 0.00 0.00 0.00 179.25 177.58 2wdm h ASP 8 N 0.03 -0.74 -0.88 0.00 3.58 -0.72 -2.14 116.42 115.55 2wdm h ASP 8 Ca 0.67 0.02 0.18 0.00 0.42 0.00 0.00 57.03 58.32 2wdm h ASP 8 Cb 2.60 0.19 -0.17 0.00 1.72 0.00 0.00 39.33 43.67 2wdm h ASP 8 CO -0.05 -0.35 -0.18 -0.03 -2.88 0.00 0.00 179.24 175.75 2wdm h MET 9 N -1.23 0.01 -0.34 0.28 4.05 0.29 0.91 114.93 118.90 2wdm h MET 9 Ca -0.09 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 2wdm h MET 9 Cb 0.67 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 2wdm h MET 9 CO 0.15 0.01 0.22 -0.07 0.23 0.00 0.00 176.91 177.44 2wdm h LEU 10 N 0.01 0.37 -0.81 3.39 3.38 -1.23 -0.06 115.31 120.36 2wdm h LEU 10 Ca 0.44 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.29 2wdm h LEU 10 Cb 0.70 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2wdm h LEU 10 CO -0.89 0.27 -0.37 0.74 0.09 0.00 0.00 178.44 178.28 2wdm h THR 11 N 0.45 1.30 -0.74 0.22 2.02 0.13 0.17 112.91 116.45 2wdm h THR 11 Ca 0.13 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.79 2wdm h THR 11 Cb -0.04 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2wdm h THR 11 CO -0.04 0.46 0.33 -0.09 0.37 0.00 0.00 175.52 176.56 2wdm h ARG 12 N 0.38 1.09 0.29 6.66 2.43 0.11 -2.44 114.38 122.90 2wdm h ARG 12 Ca 0.04 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2wdm h ARG 12 Cb 0.82 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2wdm h ARG 12 CO 0.07 0.87 -0.14 0.82 -1.51 0.00 0.00 179.97 180.08 2wdm h ILE 13 N 1.05 0.54 -1.35 1.20 2.04 -0.75 -3.11 117.51 117.13 2wdm h ILE 13 Ca 0.25 -0.83 0.39 0.00 1.00 0.00 0.00 64.86 65.67 2wdm h ILE 13 Cb 0.16 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2wdm h ILE 13 CO -0.03 0.13 1.13 -0.09 0.00 0.00 0.00 178.15 179.29 2wdm h ARG 14 N -0.94 0.00 0.06 2.37 2.43 -0.59 0.11 114.38 117.83 2wdm h ARG 14 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wdm h ARG 14 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2wdm h ARG 14 CO 0.06 0.00 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.58 2wdm h ASN 15 N 0.00 -0.07 -0.41 -3.80 2.35 -1.41 -3.14 115.58 109.10 2wdm h ASN 15 Ca 0.64 -0.49 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 2wdm h ASN 15 Cb 2.89 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 41.19 2wdm h ASN 15 CO -0.01 0.62 -0.39 0.00 -1.65 0.00 0.00 177.43 176.00 2wdm h ALA 16 N -0.37 -0.33 -1.00 -0.83 0.00 -0.73 -0.31 119.26 115.70 2wdm h ALA 16 Ca -0.01 0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.20 2wdm h ALA 16 Cb 0.55 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 2wdm h ALA 16 CO 0.01 -0.81 0.62 1.79 0.00 0.00 0.00 179.25 180.86 2wdm h THR 17 N -0.30 0.63 0.00 0.00 1.35 -1.57 -0.66 112.91 112.37 2wdm h THR 17 Ca 0.15 -0.22 -0.05 0.00 -0.55 0.00 0.00 66.41 65.74 2wdm h THR 17 Cb 0.57 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 2wdm h THR 17 CO -0.57 0.11 -0.25 0.03 -0.25 0.00 0.00 175.52 174.59 2wdm h ARG 18 N 0.63 0.00 -0.02 4.72 -0.00 -0.99 -2.15 114.38 116.56 2wdm h ARG 18 Ca 0.59 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.07 2wdm h ARG 18 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2wdm h ARG 18 CO -0.37 0.25 -0.37 1.33 0.00 0.00 0.00 179.97 180.82 2wdm n VAL 19 N -4.07 0.00 -2.75 2.04 0.24 -0.55 -5.00 118.33 108.24 2wdm n VAL 19 Ca -0.02 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 2wdm n VAL 19 Cb 0.32 1.31 0.03 0.00 -1.47 0.00 0.00 33.84 34.03 2wdm n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wdm n TYR 20 N 0.27 -1.97 -3.01 6.34 4.01 -0.37 -5.05 117.16 117.38 2wdm n TYR 20 Ca 0.10 0.71 -0.17 0.00 -0.16 0.00 0.00 57.90 58.38 2wdm n TYR 20 Cb 0.49 -3.61 0.02 0.00 -0.31 0.00 0.00 39.34 35.93 2wdm n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wdm s LYS 21 N -3.66 2.73 -0.00 -0.72 2.20 -0.98 -5.02 119.74 114.29 2wdm s LYS 21 Ca 0.22 -1.31 -0.03 0.00 -0.36 0.00 0.00 55.97 54.49 2wdm s LYS 21 Cb -0.03 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 2wdm s LYS 21 CO 0.55 -0.38 0.66 1.49 -0.36 0.00 0.00 175.35 177.32 2wdm h GLU 22 N 0.55 -0.09 -2.90 4.03 4.57 -1.95 -3.44 114.58 115.35 2wdm h GLU 22 Ca -0.38 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.71 2wdm h GLU 22 Cb 1.28 0.02 -0.18 0.00 -0.16 0.00 0.00 28.75 29.71 2wdm h GLU 22 CO 0.44 -0.06 -0.14 -1.54 -1.18 0.00 0.00 179.01 176.53 2wdm s SER 23 N -2.62 -0.29 0.40 1.04 1.04 -1.26 -2.23 113.70 109.78 2wdm s SER 23 Ca -0.01 0.12 0.08 0.00 0.48 0.00 0.00 55.95 56.61 2wdm s SER 23 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 2wdm s SER 23 CO 0.04 -0.57 0.19 -0.89 0.98 0.00 0.00 173.24 172.99 2wdm s THR 24 N -1.86 2.45 0.19 2.02 2.01 -1.14 -4.91 115.64 114.40 2wdm s THR 24 Ca -0.09 -1.68 0.03 0.00 0.31 0.00 0.00 61.69 60.27 2wdm s THR 24 Cb -0.02 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 2wdm s THR 24 CO 0.02 -0.04 -0.04 -1.81 -0.69 0.00 0.00 174.62 172.07 2wdm s ASP 25 N -3.91 1.67 -0.04 3.53 1.11 -1.26 -1.15 116.67 116.62 2wdm s ASP 25 Ca 0.41 -1.14 -0.19 0.00 0.18 0.00 0.00 52.55 51.81 2wdm s ASP 25 Cb 0.02 0.03 0.04 0.00 1.07 0.00 0.00 42.92 44.08 2wdm s ASP 25 CO 0.23 -0.46 0.43 0.54 1.18 0.00 0.00 175.17 177.08 2wdm s VAL 26 N -3.44 0.03 0.01 -1.27 0.11 -1.18 -4.91 120.40 109.76 2wdm s VAL 26 Ca 0.23 -0.28 -0.34 0.00 -2.93 0.00 0.00 61.98 58.66 2wdm s VAL 26 Cb 0.05 -0.72 -0.13 0.00 -1.53 0.00 0.00 36.38 34.05 2wdm s VAL 26 CO 0.05 -0.16 1.73 -2.65 -3.33 0.00 0.00 175.10 170.75 2wdm n PRO 27 N 1.39 2.09 -1.60 1.54 -0.02 -1.26 -0.60 135.00 136.54 2wdm n PRO 27 Ca -0.20 0.76 -0.44 0.00 -2.02 0.00 0.00 63.50 61.60 2wdm n PRO 27 Cb 0.56 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 2wdm n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdm n ALA 28 N 5.14 -0.02 -3.55 3.55 0.00 -0.71 -4.84 120.51 120.08 2wdm n ALA 28 Ca 0.20 0.37 -0.00 0.00 0.00 0.00 0.00 53.44 54.01 2wdm n ALA 28 Cb 0.28 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 2wdm n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdm s SER 29 N -0.55 -0.89 0.24 0.00 0.15 -1.26 -4.96 113.70 106.43 2wdm s SER 29 Ca 0.59 1.23 -0.14 0.00 0.70 0.00 0.00 55.95 58.32 2wdm s SER 29 Cb -0.67 1.97 0.30 0.00 -1.71 0.00 0.00 66.02 65.91 2wdm s SER 29 CO 0.60 -0.17 1.57 -0.09 1.20 0.00 0.00 173.24 176.35 2wdm h ARG 30 N 7.70 -0.03 -0.12 5.44 2.43 -2.00 0.83 114.38 128.64 2wdm h ARG 30 Ca -0.18 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 2wdm h ARG 30 Cb 1.11 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2wdm h ARG 30 CO 0.10 -0.02 -0.10 0.35 -1.51 0.00 0.00 179.97 178.79 2wdm h PHE 31 N -0.03 0.18 -0.04 2.20 3.57 -1.99 -2.36 116.94 118.47 2wdm h PHE 31 Ca 0.37 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2wdm h PHE 31 Cb 0.62 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2wdm h PHE 31 CO -0.75 0.28 -0.09 0.87 -2.23 0.00 0.00 178.31 176.39 2wdm h LYS 32 N 0.17 0.13 -0.93 1.11 1.57 0.16 -3.14 116.57 115.63 2wdm h LYS 32 Ca 0.04 -0.09 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2wdm h LYS 32 Cb 0.29 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 2wdm h LYS 32 CO 0.02 0.70 0.55 0.93 -0.57 0.00 0.00 179.45 181.07 2wdm h GLU 33 N -0.42 0.78 -0.55 3.15 5.08 -0.68 0.17 114.58 122.10 2wdm h GLU 33 Ca -0.00 -0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.47 2wdm h GLU 33 Cb 0.70 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2wdm h GLU 33 CO 0.02 0.51 0.40 0.93 -1.00 0.00 0.00 179.01 179.87 2wdm h GLU 34 N 0.80 0.00 0.00 2.33 4.39 -1.38 0.29 114.58 121.01 2wdm h GLU 34 Ca 0.49 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.19 2wdm h GLU 34 Cb 0.62 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2wdm h GLU 34 CO -0.32 0.00 -0.02 0.82 -1.16 0.00 0.00 179.01 178.33 2wdm h ILE 35 N 0.00 0.71 -0.90 3.13 2.04 -0.65 -3.30 117.51 118.54 2wdm h ILE 35 Ca 0.26 -1.54 0.13 0.00 1.00 0.00 0.00 64.86 64.72 2wdm h ILE 35 Cb 1.05 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 2wdm h ILE 35 CO -0.00 0.24 0.51 -0.07 0.00 0.00 0.00 178.15 178.82 2wdm h LEU 36 N -1.00 0.68 -1.28 1.44 3.38 -1.10 0.26 115.31 117.70 2wdm h LEU 36 Ca -0.00 0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.31 2wdm h LEU 36 Cb 0.41 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 2wdm h LEU 36 CO -0.00 0.32 0.66 -0.09 0.09 0.00 0.00 178.44 179.42 2wdm h ARG 37 N 0.76 0.42 0.00 1.13 2.43 -0.55 0.39 114.38 118.95 2wdm h ARG 37 Ca 0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2wdm h ARG 37 Cb 0.58 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wdm h ARG 37 CO -0.32 0.27 -0.80 0.82 -1.51 0.00 0.00 179.97 178.44 2wdm h ILE 38 N 0.43 0.00 0.00 1.20 2.04 -0.60 -1.47 117.51 119.11 2wdm h ILE 38 Ca 0.62 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 2wdm h ILE 38 Cb 1.48 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2wdm h ILE 38 CO -0.35 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.32 2wdm h LEU 39 N 0.00 0.00 0.00 1.44 -0.00 0.79 -2.63 115.31 114.91 2wdm h LEU 39 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2wdm h LEU 39 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 2wdm h LEU 39 CO 0.00 0.42 -0.59 0.00 -0.00 0.00 0.00 178.44 178.27 2wdm h ALA 40 N 1.58 0.10 0.00 1.53 0.00 -1.26 0.22 119.26 121.43 2wdm h ALA 40 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2wdm h ALA 40 Cb 1.02 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2wdm h ALA 40 CO 0.05 0.38 0.03 -2.13 0.00 0.00 0.00 179.25 177.59 2wdm n ARG 41 N -4.57 0.00 0.00 0.00 0.63 -0.55 0.72 116.66 112.88 2wdm n ARG 41 Ca -0.16 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2wdm n ARG 41 Cb 0.43 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.81 2wdm n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdm n GLU 42 N -0.99 1.10 -2.90 -0.14 -0.58 -0.99 -5.01 120.64 111.13 2wdm n GLU 42 Ca 0.00 -0.89 -0.11 0.00 -0.42 0.00 0.00 57.16 55.74 2wdm n GLU 42 Cb 0.03 -0.84 0.06 0.00 -0.57 0.00 0.00 31.44 30.12 2wdm n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdm n GLY 43 N -0.22 -0.24 0.00 0.62 0.00 0.22 -4.96 105.19 100.61 2wdm n GLY 43 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdm n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdm n PHE 44 N -3.01 0.00 -3.56 1.61 3.72 0.75 -5.02 117.46 111.95 2wdm n PHE 44 Ca -0.15 -0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.13 2wdm n PHE 44 Cb 0.61 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.10 2wdm n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2wdm s ILE 45 N -0.00 0.00 -1.83 4.37 -4.36 -1.23 -4.12 121.20 114.03 2wdm s ILE 45 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2wdm s ILE 45 Cb 0.00 -1.00 0.17 0.00 1.25 0.00 0.00 42.46 42.88 2wdm s ILE 45 CO 0.00 0.00 0.94 0.29 0.24 0.00 0.00 174.94 176.41 2wdm n LYS 46 N 0.69 0.18 0.00 0.37 5.02 -0.76 -4.64 118.16 119.03 2wdm n LYS 46 Ca -0.12 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2wdm n LYS 46 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2wdm n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdm n GLY 47 N -0.61 0.24 0.07 0.72 0.00 -1.22 -4.95 105.19 99.44 2wdm n GLY 47 Ca 0.05 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 2wdm n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdm n TYR 48 N 0.00 -0.46 -3.65 1.61 0.18 -1.26 -1.92 117.16 111.67 2wdm n TYR 48 Ca 0.00 -0.02 -0.04 0.00 1.88 0.00 0.00 57.90 59.72 2wdm n TYR 48 Cb 0.00 0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 38.90 2wdm n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2wdm s GLU 49 N -2.00 0.15 0.63 -3.48 -1.05 -0.70 -4.98 118.70 107.27 2wdm s GLU 49 Ca 0.00 0.17 -0.18 0.00 -0.15 0.00 0.00 54.97 54.81 2wdm s GLU 49 Cb -0.00 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.74 2wdm s GLU 49 CO 0.00 -0.02 1.26 0.54 0.95 0.00 0.00 175.26 177.99 2wdm n ARG 50 N 1.65 1.15 -2.69 -4.83 1.74 -1.26 -1.70 116.66 110.72 2wdm n ARG 50 Ca -0.10 0.45 -0.06 0.00 -0.77 0.00 0.00 57.85 57.36 2wdm n ARG 50 Cb 0.57 -2.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2wdm n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2wdm n VAL 51 N -1.80 0.00 -3.98 1.55 0.24 -1.13 -4.81 118.33 108.40 2wdm n VAL 51 Ca 0.15 -0.75 -0.10 0.00 -2.04 0.00 0.00 64.34 61.60 2wdm n VAL 51 Cb 0.48 0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 33.30 2wdm n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wdm s ASP 52 N -2.15 0.28 -0.39 -1.34 1.11 -1.26 -1.65 116.67 111.27 2wdm s ASP 52 Ca 0.12 -0.45 0.03 0.00 0.18 0.00 0.00 52.55 52.44 2wdm s ASP 52 Cb -0.02 0.08 0.16 0.00 1.07 0.00 0.00 42.92 44.21 2wdm s ASP 52 CO 0.09 -0.25 0.38 -0.69 1.18 0.00 0.00 175.17 175.87 2wdm s VAL 53 N -1.28 -0.24 -0.14 -1.27 1.01 -0.69 -4.89 120.40 112.91 2wdm s VAL 53 Ca -0.13 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 60.55 2wdm s VAL 53 Cb -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2wdm s VAL 53 CO -0.01 -0.68 0.12 0.47 0.00 0.00 0.00 175.10 175.00 2wdm n ASP 54 N 3.93 -2.24 -1.37 3.32 8.00 -1.26 -3.36 116.55 123.57 2wdm n ASP 54 Ca 0.14 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.42 2wdm n ASP 54 Cb 0.45 -0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 40.51 2wdm n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdm n GLY 55 N -0.83 1.10 2.92 0.44 0.00 -1.26 -4.97 105.19 102.58 2wdm n GLY 55 Ca -0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2wdm n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdm s LYS 56 N -3.72 1.51 0.17 1.61 1.02 -1.21 -5.12 119.74 114.00 2wdm s LYS 56 Ca 0.00 -0.92 -0.33 0.00 0.02 0.00 0.00 55.97 54.74 2wdm s LYS 56 Cb 0.00 -2.53 -0.15 0.00 -0.52 0.00 0.00 37.83 34.63 2wdm s LYS 56 CO 0.00 -0.60 1.27 -0.35 -0.92 0.00 0.00 175.35 174.75 2wdm n PRO 57 N 4.72 1.42 -1.44 -1.68 -0.04 -1.26 -1.70 135.00 135.02 2wdm n PRO 57 Ca -0.12 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2wdm n PRO 57 Cb 0.44 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2wdm n PRO 57 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wdm n TYR 58 N 1.88 0.00 -3.34 0.54 4.02 -0.66 -1.74 117.16 117.86 2wdm n TYR 58 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.92 2wdm n TYR 58 Cb 0.25 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.50 2wdm n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wdm s LEU 59 N 0.00 -0.54 -0.03 7.72 1.43 0.24 -2.82 118.68 124.67 2wdm s LEU 59 Ca 0.00 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2wdm s LEU 59 Cb 0.00 0.87 -0.06 0.00 0.03 0.00 0.00 46.19 47.03 2wdm s LEU 59 CO 0.00 -0.35 1.59 -0.13 0.23 0.00 0.00 176.35 177.68 2wdm s ARG 60 N 2.34 4.21 -0.34 1.70 1.81 -0.69 -3.07 118.95 124.90 2wdm s ARG 60 Ca 0.10 2.15 -0.02 0.00 -1.72 0.00 0.00 55.73 56.24 2wdm s ARG 60 Cb -0.13 -3.83 0.08 0.00 -0.45 0.00 0.00 34.95 30.62 2wdm s ARG 60 CO -0.28 -0.77 0.08 0.08 -0.68 0.00 0.00 175.30 173.74 2wdm s VAL 61 N 3.46 3.05 -0.29 3.52 1.01 -0.30 -1.72 120.40 129.13 2wdm s VAL 61 Ca 0.71 -1.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 2wdm s VAL 61 Cb -0.33 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2wdm s VAL 61 CO 0.29 -0.37 1.07 -0.31 0.00 0.00 0.00 175.10 175.78 2wdm s TYR 62 N 1.18 3.21 0.52 5.22 2.02 -0.81 -2.90 117.35 125.79 2wdm s TYR 62 Ca 0.01 1.28 -0.10 0.00 -0.37 0.00 0.00 57.07 57.89 2wdm s TYR 62 Cb -0.21 -3.55 -0.05 0.00 -0.40 0.00 0.00 41.96 37.75 2wdm s TYR 62 CO -0.03 -0.69 0.90 -0.51 -1.57 0.00 0.00 175.55 173.65 2wdm s LEU 63 N 3.51 3.53 -0.02 -1.29 2.01 -0.95 -1.82 118.68 123.65 2wdm s LEU 63 Ca 0.45 1.25 0.07 0.00 0.01 0.00 0.00 54.13 55.91 2wdm s LEU 63 Cb -0.13 -4.22 -0.02 0.00 0.01 0.00 0.00 46.19 41.83 2wdm s LEU 63 CO 0.12 -0.64 -0.24 -0.75 1.01 0.00 0.00 176.35 175.85 2wdm s LYS 64 N -4.60 1.97 0.00 1.70 2.20 -1.26 -4.39 119.74 115.37 2wdm s LYS 64 Ca 0.53 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2wdm s LYS 64 Cb -0.10 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.33 2wdm s LYS 64 CO 0.43 0.50 0.00 0.66 -0.36 0.00 0.00 175.35 176.58 2wdm n TYR 65 N 2.54 0.00 -2.45 4.03 4.02 -1.26 -3.83 117.16 120.20 2wdm n TYR 65 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2wdm n TYR 65 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2wdm n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdm n GLY 66 N 4.34 3.90 3.71 2.72 0.00 -0.83 -3.78 105.19 115.25 2wdm n GLY 66 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 2wdm n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdm s PRO 67 N 0.91 4.28 0.20 1.61 0.04 -1.26 -4.83 135.00 135.95 2wdm s PRO 67 Ca 0.00 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 2wdm s PRO 67 Cb 0.00 -3.46 -0.16 0.00 0.04 0.00 0.00 34.50 30.92 2wdm s PRO 67 CO 0.00 0.12 0.88 -2.13 0.04 0.00 0.00 177.00 175.91 2wdm n ARG 68 N 3.88 0.72 -3.67 4.56 0.63 -1.26 -4.30 116.66 117.22 2wdm n ARG 68 Ca -0.08 0.25 -0.21 0.00 -0.92 0.00 0.00 57.85 56.90 2wdm n ARG 68 Cb 0.51 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 31.86 2wdm n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wdm s ARG 69 N -0.93 2.75 0.47 -0.14 0.52 -1.26 -4.92 118.95 115.46 2wdm s ARG 69 Ca 0.67 -1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2wdm s ARG 69 Cb -0.87 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.08 2wdm s ARG 69 CO 0.56 0.02 0.70 -0.65 0.02 0.00 0.00 175.30 175.95 2wdm s GLN 70 N -4.07 2.99 0.97 3.54 -1.52 -1.26 -4.46 119.66 115.85 2wdm s GLN 70 Ca 0.44 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.37 2wdm s GLN 70 Cb -0.06 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 2wdm s GLN 70 CO 0.28 -0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.37 2wdm n GLY 71 N -2.15 -1.88 3.64 3.09 0.00 -1.26 -4.75 105.19 101.87 2wdm n GLY 71 Ca 0.02 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 2wdm n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdm n PRO 72 N -0.90 1.14 -3.04 1.61 -0.02 -1.26 -3.71 135.00 128.81 2wdm n PRO 72 Ca 0.00 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 2wdm n PRO 72 Cb 0.05 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2wdm n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wdm n ASP 73 N -0.50 -7.63 -2.68 2.55 4.64 -1.26 -4.85 116.55 106.82 2wdm n ASP 73 Ca 0.12 0.09 -0.27 0.00 -1.38 0.00 0.00 54.79 53.35 2wdm n ASP 73 Cb 0.45 -5.03 -0.07 0.00 -1.04 0.00 0.00 41.12 35.43 2wdm n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wdm n PRO 74 N -1.24 2.95 -3.60 -0.67 -0.04 -1.24 -4.87 135.00 126.28 2wdm n PRO 74 Ca 0.02 -2.16 -0.38 0.00 -0.04 0.00 0.00 63.50 60.94 2wdm n PRO 74 Cb 0.50 -2.31 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 2wdm n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdm s ARG 75 N -0.20 3.89 -0.17 0.54 0.52 -1.26 -4.08 118.95 118.19 2wdm s ARG 75 Ca 0.62 -0.36 -0.38 0.00 -0.52 0.00 0.00 55.73 55.10 2wdm s ARG 75 Cb 0.29 -3.63 -0.14 0.00 0.52 0.00 0.00 34.95 31.99 2wdm s ARG 75 CO -0.11 -0.20 1.76 -0.35 0.02 0.00 0.00 175.30 176.42 2wdm n PRO 76 N 5.05 1.55 -0.72 3.54 -0.04 -1.26 -4.59 135.00 138.53 2wdm n PRO 76 Ca -0.14 0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 63.56 2wdm n PRO 76 Cb 0.52 -2.31 0.15 0.00 -0.04 0.00 0.00 33.50 31.82 2wdm n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdm n GLU 77 N 5.52 -1.12 -4.28 0.54 2.13 -1.26 -4.52 120.64 117.65 2wdm n GLU 77 Ca 0.24 -0.30 -0.25 0.00 0.66 0.00 0.00 57.16 57.51 2wdm n GLU 77 Cb 0.20 -1.75 -0.08 0.00 0.27 0.00 0.00 31.44 30.07 2wdm n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2wdm s GLN 78 N -3.50 2.21 0.11 5.31 -0.21 -1.26 -1.96 119.66 120.35 2wdm s GLN 78 Ca 0.56 -1.32 -0.07 0.00 0.02 0.00 0.00 55.36 54.55 2wdm s GLN 78 Cb -0.15 -2.18 -0.13 0.00 1.00 0.00 0.00 33.01 31.55 2wdm s GLN 78 CO 0.67 0.41 1.28 0.28 -2.12 0.00 0.00 175.29 175.80 2wdm h VAL 79 N 2.33 1.37 -3.36 1.09 2.07 -1.66 -3.39 116.25 114.69 2wdm h VAL 79 Ca -0.46 -2.38 -0.66 0.00 0.82 0.00 0.00 66.70 64.03 2wdm h VAL 79 Cb 1.22 2.39 -0.39 0.00 -1.52 0.00 0.00 31.29 33.00 2wdm h VAL 79 CO 0.58 0.72 -0.49 -0.63 0.02 0.00 0.00 177.57 177.76 2wdm s ILE 80 N -3.30 3.13 -0.45 4.57 1.01 -1.26 -4.85 121.20 120.05 2wdm s ILE 80 Ca -0.07 -3.50 0.04 0.00 0.00 0.00 0.00 60.65 57.12 2wdm s ILE 80 Cb 0.08 -3.08 0.64 0.00 0.01 0.00 0.00 42.46 40.12 2wdm s ILE 80 CO 0.88 -0.89 1.89 0.00 0.00 0.00 0.00 174.94 176.82 2wdm n HIS 81 N 2.87 2.93 0.00 3.97 1.44 -0.83 -4.78 115.22 120.83 2wdm n HIS 81 Ca 0.11 -1.91 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 2wdm n HIS 81 Cb 0.35 -0.95 0.00 0.00 0.12 0.00 0.00 29.99 29.51 2wdm n HIS 81 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2wdm n HIS 82 N -1.13 0.00 -3.91 -1.40 -0.00 -0.93 -4.99 115.22 102.87 2wdm n HIS 82 Ca 0.58 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.96 2wdm n HIS 82 Cb 1.56 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 31.41 2wdm n HIS 82 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 2wdm s ILE 83 N 0.00 2.86 -0.03 3.57 2.07 -1.26 -2.39 121.20 126.02 2wdm s ILE 83 Ca 0.00 -1.80 0.03 0.00 -1.41 0.00 0.00 60.65 57.47 2wdm s ILE 83 Cb 0.00 -2.83 -0.03 0.00 0.13 0.00 0.00 42.46 39.73 2wdm s ILE 83 CO 0.00 -0.37 -0.12 -0.60 -1.91 0.00 0.00 174.94 171.93 2wdm s ARG 84 N 1.13 2.50 0.01 3.50 3.52 -0.90 -4.85 118.95 123.86 2wdm s ARG 84 Ca 0.02 -0.71 -0.25 0.00 -0.13 0.00 0.00 55.73 54.66 2wdm s ARG 84 Cb -0.21 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 2wdm s ARG 84 CO -0.04 0.62 0.76 0.50 -0.81 0.00 0.00 175.30 176.33 2wdm s ARG 85 N -0.93 4.48 -0.02 5.12 3.00 -1.26 -2.45 118.95 126.89 2wdm s ARG 85 Ca 0.13 1.03 -0.03 0.00 -1.00 0.00 0.00 55.73 55.86 2wdm s ARG 85 Cb -0.11 -3.39 -0.01 0.00 0.00 0.00 0.00 34.95 31.45 2wdm s ARG 85 CO 0.02 0.21 -0.05 -0.89 0.00 0.00 0.00 175.30 174.60 2wdm n ILE 86 N 3.10 0.32 -2.40 4.11 2.08 -1.20 -4.86 119.36 120.52 2wdm n ILE 86 Ca -0.02 0.29 -0.37 0.00 0.56 0.00 0.00 62.75 63.21 2wdm n ILE 86 Cb 0.51 -1.48 -0.03 0.00 -0.75 0.00 0.00 39.64 37.89 2wdm n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2wdm s SER 87 N -4.75 6.15 0.71 4.38 0.15 -0.81 -4.78 113.70 114.76 2wdm s SER 87 Ca -0.04 -1.79 -0.11 0.00 0.70 0.00 0.00 55.95 54.71 2wdm s SER 87 Cb 0.01 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2wdm s SER 87 CO 0.06 -1.86 1.10 -0.54 1.20 0.00 0.00 173.24 173.19 2wdm s LYS 88 N 5.26 2.82 0.00 5.44 1.02 -1.24 -4.77 119.74 128.26 2wdm s LYS 88 Ca 0.57 0.49 0.25 0.00 0.02 0.00 0.00 55.97 57.30 2wdm s LYS 88 Cb 0.01 -2.01 1.42 0.00 -0.52 0.00 0.00 37.83 36.72 2wdm s LYS 88 CO 0.03 -1.07 1.85 -0.35 -0.92 0.00 0.00 175.35 174.89 2wdm n PRO 89 N -3.04 0.65 0.00 -1.68 -0.04 -1.26 -2.32 135.00 127.31 2wdm n PRO 89 Ca 0.07 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2wdm n PRO 89 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2wdm n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdm n GLY 90 N 0.65 -0.68 2.79 0.55 0.00 -1.26 -4.77 105.19 102.47 2wdm n GLY 90 Ca 0.17 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 2wdm n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdm s ARG 91 N -2.82 0.34 0.65 1.61 3.00 -0.98 -5.15 118.95 115.59 2wdm s ARG 91 Ca 0.11 -0.21 -0.17 0.00 -1.00 0.00 0.00 55.73 54.46 2wdm s ARG 91 Cb 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 34.95 35.08 2wdm s ARG 91 CO 0.77 -0.46 0.67 0.54 0.00 0.00 0.00 175.30 176.83 2wdm n ARG 92 N 3.40 0.51 -3.78 5.12 5.12 -1.10 -3.68 116.66 122.25 2wdm n ARG 92 Ca 0.09 0.21 -0.30 0.00 -1.93 0.00 0.00 57.85 55.92 2wdm n ARG 92 Cb 0.62 -1.91 -0.14 0.00 -1.16 0.00 0.00 32.46 29.87 2wdm n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wdm s VAL 93 N -1.75 1.28 0.12 1.55 1.01 -1.26 -4.90 120.40 116.43 2wdm s VAL 93 Ca 0.70 -1.88 0.04 0.00 0.00 0.00 0.00 61.98 60.84 2wdm s VAL 93 Cb -0.39 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2wdm s VAL 93 CO 0.53 -0.72 0.08 -0.31 0.00 0.00 0.00 175.10 174.68 2wdm s TYR 94 N 1.15 3.12 -0.11 5.22 2.02 -1.26 -0.28 117.35 127.21 2wdm s TYR 94 Ca 0.12 0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 56.77 2wdm s TYR 94 Cb -0.19 -1.55 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 2wdm s TYR 94 CO -0.15 0.51 0.26 0.14 -1.57 0.00 0.00 175.55 174.74 2wdm s VAL 95 N -1.52 -0.03 0.50 0.71 -7.23 -0.71 -4.90 120.40 107.23 2wdm s VAL 95 Ca 0.29 0.11 -0.22 0.00 -1.81 0.00 0.00 61.98 60.35 2wdm s VAL 95 Cb -0.11 -0.39 -0.06 0.00 0.56 0.00 0.00 36.38 36.38 2wdm s VAL 95 CO 0.22 0.04 1.18 -0.83 -0.31 0.00 0.00 175.10 175.40 2wdm s GLY 96 N 0.97 2.75 0.34 2.32 0.00 -1.26 -2.69 107.32 109.76 2wdm s GLY 96 Ca -0.07 0.96 0.11 0.00 0.00 0.00 0.00 44.72 45.73 2wdm s GLY 96 CO -0.06 1.40 1.59 -0.24 0.00 0.00 0.00 173.10 175.78 2wdm h VAL 97 N 1.56 0.07 0.00 1.40 3.04 -1.92 0.82 116.25 121.22 2wdm h VAL 97 Ca -0.50 -0.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.15 2wdm h VAL 97 Cb 1.26 0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2wdm h VAL 97 CO 0.58 0.01 -0.13 0.11 -1.01 0.00 0.00 177.57 177.14 2wdm h LYS 98 N 0.05 0.00 -0.71 4.17 1.57 -1.92 -2.35 116.57 117.39 2wdm h LYS 98 Ca 0.72 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.39 2wdm h LYS 98 Cb 1.71 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.96 2wdm h LYS 98 CO -0.80 0.13 0.13 0.39 -0.57 0.00 0.00 179.45 178.73 2wdm n GLU 99 N -3.34 4.01 -2.83 3.15 1.02 0.28 -4.95 120.64 117.97 2wdm n GLU 99 Ca -0.00 -2.82 -0.37 0.00 -0.02 0.00 0.00 57.16 53.95 2wdm n GLU 99 Cb 0.33 -2.17 -0.06 0.00 -0.02 0.00 0.00 31.44 29.52 2wdm n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wdm s ILE 100 N -2.68 4.26 0.56 -3.67 1.01 -0.89 -4.72 121.20 115.07 2wdm s ILE 100 Ca 0.50 1.75 -0.18 0.00 0.00 0.00 0.00 60.65 62.72 2wdm s ILE 100 Cb 0.39 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2wdm s ILE 100 CO 0.13 0.18 1.09 -2.84 0.00 0.00 0.00 174.94 173.51 2wdm s PRO 101 N -1.97 3.36 -0.52 2.79 0.02 -1.26 -5.05 135.00 132.37 2wdm s PRO 101 Ca 0.48 1.45 -0.02 0.00 0.02 0.00 0.00 61.00 62.94 2wdm s PRO 101 Cb -0.19 -2.02 0.14 0.00 0.02 0.00 0.00 34.50 32.45 2wdm s PRO 101 CO 0.24 -0.81 0.31 1.03 -0.33 0.00 0.00 177.00 177.44 2wdm s ARG 102 N -3.53 2.22 -0.16 5.54 0.52 -1.26 -4.83 118.95 117.45 2wdm s ARG 102 Ca 0.69 -2.24 -0.29 0.00 -0.52 0.00 0.00 55.73 53.37 2wdm s ARG 102 Cb -0.20 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 2wdm s ARG 102 CO 0.29 -1.12 1.54 0.08 0.02 0.00 0.00 175.30 176.11 2wdm s VAL 103 N 0.41 3.81 -1.51 3.52 1.01 -1.26 -3.62 120.40 122.76 2wdm s VAL 103 Ca 0.13 0.94 -0.13 0.00 0.00 0.00 0.00 61.98 62.93 2wdm s VAL 103 Cb -0.22 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.54 2wdm s VAL 103 CO -0.04 -0.20 0.82 -1.14 0.00 0.00 0.00 175.10 174.54 2wdm n ARG 104 N 7.27 -4.64 -3.44 2.72 3.00 -1.26 -0.58 116.66 119.73 2wdm n ARG 104 Ca 0.17 0.55 -0.17 0.00 -0.00 0.00 0.00 57.85 58.40 2wdm n ARG 104 Cb 0.44 -5.38 0.08 0.00 0.00 0.00 0.00 32.46 27.61 2wdm n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wdm n ARG 105 N -4.39 -6.06 0.00 -0.14 5.12 -1.24 -2.61 116.66 107.35 2wdm n ARG 105 Ca 0.03 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2wdm n ARG 105 Cb 0.53 -5.79 0.00 0.00 -1.16 0.00 0.00 32.46 26.04 2wdm n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdm n GLY 106 N -1.19 1.82 0.41 -0.13 0.00 -0.57 -4.78 105.19 100.76 2wdm n GLY 106 Ca -0.27 -0.08 0.23 0.00 0.00 0.00 0.00 46.02 45.90 2wdm n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdm h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -1.45 -3.43 115.31 114.80 2wdm h LEU 107 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2wdm h LEU 107 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 2wdm h LEU 107 CO 0.00 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.12 2wdm n GLY 108 N -1.62 1.64 3.33 0.83 0.00 0.25 -4.99 105.19 104.63 2wdm n GLY 108 Ca 0.12 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 2wdm n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wdm s ILE 109 N -1.70 1.67 -0.36 -0.61 2.07 -0.35 -4.68 121.20 117.24 2wdm s ILE 109 Ca 0.44 -2.19 0.02 0.00 -1.41 0.00 0.00 60.65 57.52 2wdm s ILE 109 Cb -0.03 -2.02 0.15 0.00 0.13 0.00 0.00 42.46 40.69 2wdm s ILE 109 CO 0.28 -0.61 0.34 0.00 -1.91 0.00 0.00 174.94 173.04 2wdm s ALA 110 N -3.00 -0.19 0.60 1.50 0.00 -1.26 -1.13 121.76 118.29 2wdm s ALA 110 Ca 0.22 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 2wdm s ALA 110 Cb -0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 2wdm s ALA 110 CO 0.06 -2.09 1.15 0.42 0.00 0.00 0.00 175.76 175.31 2wdm s ILE 111 N 1.46 2.94 -0.23 0.00 1.01 -0.76 -1.95 121.20 123.67 2wdm s ILE 111 Ca 0.16 0.54 -0.28 0.00 0.00 0.00 0.00 60.65 61.07 2wdm s ILE 111 Cb -0.16 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.30 2wdm s ILE 111 CO -0.06 -0.18 1.13 -1.48 0.00 0.00 0.00 174.94 174.36 2wdm s LEU 112 N -4.26 -0.29 0.02 2.97 0.05 -0.13 -2.15 118.68 114.89 2wdm s LEU 112 Ca 0.73 0.43 -0.20 0.00 0.05 0.00 0.00 54.13 55.13 2wdm s LEU 112 Cb -0.25 1.63 -0.06 0.00 -2.05 0.00 0.00 46.19 45.46 2wdm s LEU 112 CO 0.34 -0.19 0.59 -0.55 -0.55 0.00 0.00 176.35 175.99 2wdm s SER 113 N -0.57 7.01 0.38 1.48 0.15 -0.89 -1.28 113.70 119.99 2wdm s SER 113 Ca 0.03 1.21 0.04 0.00 0.70 0.00 0.00 55.95 57.92 2wdm s SER 113 Cb -0.02 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 2wdm s SER 113 CO -0.04 0.16 0.14 0.42 1.20 0.00 0.00 173.24 175.11 2wdm s THR 114 N -0.50 0.57 0.59 6.45 -4.23 -0.35 -0.71 115.64 117.45 2wdm s THR 114 Ca 0.30 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.10 2wdm s THR 114 Cb -0.19 -2.41 0.38 0.00 1.34 0.00 0.00 72.50 71.62 2wdm s THR 114 CO 0.18 0.00 1.92 0.28 -0.54 0.00 0.00 174.62 176.46 2wdm h SER 115 N 1.89 0.00 -3.44 3.99 0.02 -1.99 -3.22 113.55 110.80 2wdm h SER 115 Ca -0.35 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.99 2wdm h SER 115 Cb 1.27 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 2wdm h SER 115 CO 0.56 0.00 -0.74 -0.54 -1.14 0.00 0.00 176.83 174.97 2wdm s LYS 116 N -4.63 1.17 0.37 3.45 1.02 -1.26 -5.10 119.74 114.75 2wdm s LYS 116 Ca -0.04 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.15 2wdm s LYS 116 Cb 0.16 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2wdm s LYS 116 CO 0.56 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.28 2wdm n GLY 117 N 3.87 -2.03 3.66 -3.33 0.00 -1.22 -4.81 105.19 101.34 2wdm n GLY 117 Ca 0.06 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 2wdm n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 118 N -2.49 5.31 0.00 1.61 1.01 -1.26 -1.21 120.40 123.37 2wdm s VAL 118 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2wdm s VAL 118 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2wdm s VAL 118 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2wdm n LEU 119 N 4.17 0.00 -4.78 3.92 -0.00 -0.40 -4.93 117.00 114.98 2wdm n LEU 119 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.61 2wdm n LEU 119 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.88 2wdm n LEU 119 CO 0.35 0.00 -0.11 0.42 -0.00 0.00 0.00 177.39 178.06 2wdm s THR 120 N -1.39 2.24 0.51 1.47 -4.23 -1.26 -0.96 115.64 112.03 2wdm s THR 120 Ca 0.00 -1.62 0.27 0.00 -1.18 0.00 0.00 61.69 59.16 2wdm s THR 120 Cb 0.00 -2.86 0.44 0.00 1.34 0.00 0.00 72.50 71.42 2wdm s THR 120 CO 0.00 0.00 1.90 -2.24 -0.54 0.00 0.00 174.62 173.74 2wdm h ASP 121 N 1.27 0.09 0.00 3.99 2.03 -1.71 0.68 116.42 122.76 2wdm h ASP 121 Ca -0.42 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 55.87 2wdm h ASP 121 Cb 1.26 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2wdm h ASP 121 CO 0.66 0.04 -0.46 0.03 -1.03 0.00 0.00 179.24 178.48 2wdm h ARG 122 N 0.09 0.00 -0.31 4.15 3.08 -1.90 -3.22 114.38 116.27 2wdm h ARG 122 Ca 0.40 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.52 2wdm h ARG 122 Cb 1.46 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.43 2wdm h ARG 122 CO -0.04 0.11 -0.39 0.93 -1.07 0.00 0.00 179.97 179.51 2wdm h GLU 123 N -1.00 -0.34 -0.25 0.04 5.08 -1.86 0.41 114.58 116.66 2wdm h GLU 123 Ca -0.03 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2wdm h GLU 123 Cb 0.48 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2wdm h GLU 123 CO -0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 179.01 177.77 2wdm h ALA 124 N 0.45 0.22 -0.50 3.43 0.00 0.14 0.89 119.26 123.89 2wdm h ALA 124 Ca 0.13 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2wdm h ALA 124 Cb 0.58 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2wdm h ALA 124 CO -0.50 -0.42 0.34 -0.09 0.00 0.00 0.00 179.25 178.58 2wdm h ARG 125 N 0.08 0.31 -0.43 0.00 2.43 -1.33 0.47 114.38 115.92 2wdm h ARG 125 Ca 0.12 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2wdm h ARG 125 Cb 0.15 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2wdm h ARG 125 CO -0.20 0.21 -0.29 -0.22 -1.51 0.00 0.00 179.97 177.96 2wdm h LYS 126 N 0.32 0.95 0.00 0.20 3.64 0.20 -2.69 116.57 119.20 2wdm h LYS 126 Ca 0.23 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2wdm h LYS 126 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2wdm h LYS 126 CO -0.05 1.12 0.00 1.28 -2.27 0.00 0.00 179.45 179.53 2wdm n LEU 127 N -4.10 0.00 -2.04 5.20 7.99 0.03 -4.91 117.00 119.17 2wdm n LEU 127 Ca -0.01 0.39 -0.15 0.00 -0.01 0.00 0.00 56.01 56.23 2wdm n LEU 127 Cb 0.50 -0.39 0.02 0.00 -0.11 0.00 0.00 43.42 43.43 2wdm n LEU 127 CO 0.47 -0.05 -0.04 0.61 -1.51 0.00 0.00 177.39 176.87 2wdm n GLY 128 N 1.00 -0.16 3.26 -0.72 0.00 -0.44 -5.02 105.19 103.11 2wdm n GLY 128 Ca 0.09 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2wdm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdm s VAL 129 N -2.92 0.79 0.23 1.61 -7.23 -1.15 -4.92 120.40 106.81 2wdm s VAL 129 Ca 0.16 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2wdm s VAL 129 Cb -0.07 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2wdm s VAL 129 CO 0.20 -0.45 0.06 0.61 -0.31 0.00 0.00 175.10 175.21 2wdm n GLY 130 N -0.28 3.68 0.00 2.32 0.00 -1.26 -4.40 105.19 105.25 2wdm n GLY 130 Ca -0.06 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2wdm n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 131 N 0.86 -0.66 3.54 -0.02 0.00 -1.09 -4.25 105.19 103.56 2wdm n GLY 131 Ca -0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2wdm n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdm s GLU 132 N -0.38 3.18 -0.82 1.61 2.12 0.11 -1.73 118.70 122.79 2wdm s GLU 132 Ca 0.00 -0.33 -0.22 0.00 0.36 0.00 0.00 54.97 54.78 2wdm s GLU 132 Cb 0.00 -4.20 -0.19 0.00 0.26 0.00 0.00 34.13 30.00 2wdm s GLU 132 CO 0.00 -2.11 2.36 -0.11 -0.54 0.00 0.00 175.26 174.87 2wdm n LEU 133 N 9.16 1.01 0.13 2.70 0.00 0.61 -2.10 117.00 128.50 2wdm n LEU 133 Ca 0.02 -1.11 0.03 0.00 0.00 0.00 0.00 56.01 54.95 2wdm n LEU 133 Cb 0.49 -1.36 0.42 0.00 0.00 0.00 0.00 43.42 42.97 2wdm n LEU 133 CO 0.70 -2.18 0.93 0.40 0.00 0.00 0.00 177.39 177.24 2wdm h ILE 134 N 7.54 1.15 0.00 1.96 1.08 -1.78 -2.15 117.51 125.32 2wdm h ILE 134 Ca -0.02 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 2wdm h ILE 134 Cb 1.07 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 2wdm h ILE 134 CO 1.18 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 178.85 2wdm s GLU 136 N -1.96 0.91 0.06 0.00 -1.05 -1.03 -1.83 118.70 113.81 2wdm s GLU 136 Ca 0.00 -1.08 -0.14 0.00 -0.15 0.00 0.00 54.97 53.60 2wdm s GLU 136 Cb 0.00 -0.87 0.02 0.00 -0.44 0.00 0.00 34.13 32.84 2wdm s GLU 136 CO 0.00 0.18 0.31 0.08 0.95 0.00 0.00 175.26 176.78 2wdm s VAL 137 N -1.66 0.09 0.00 1.83 1.01 -0.28 -2.12 120.40 119.27 2wdm s VAL 137 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2wdm s VAL 137 Cb -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2wdm s VAL 137 CO 0.02 -0.40 0.00 -2.67 0.00 0.00 0.00 175.10 172.06