#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n LEU 2 N 0.00 -3.38 0.14 3.17 4.77 -1.26 -4.81 117.00 115.64 2wrk n LEU 2 Ca 0.00 0.44 0.05 0.00 -0.03 0.00 0.00 56.01 56.47 2wrk n LEU 2 Cb 0.00 -1.41 0.48 0.00 -2.33 0.00 0.00 43.42 40.16 2wrk n LEU 2 CO 0.00 -1.48 1.01 0.71 -1.33 0.00 0.00 177.39 176.30 2wrk h THR 3 N 3.58 1.10 -2.37 -5.08 1.35 -2.06 -3.37 112.91 106.05 2wrk h THR 3 Ca 0.00 -0.38 -0.47 0.00 -0.55 0.00 0.00 66.41 65.01 2wrk h THR 3 Cb 0.75 0.98 -0.36 0.00 -1.73 0.00 0.00 68.15 67.80 2wrk h THR 3 CO 0.00 0.13 -0.75 -0.62 -0.25 0.00 0.00 175.52 174.03 2wrk s ASP 4 N -6.90 2.36 0.18 5.36 2.15 -1.26 -4.95 116.67 113.60 2wrk s ASP 4 Ca -0.06 -1.58 -0.26 0.00 0.43 0.00 0.00 52.55 51.08 2wrk s ASP 4 Cb 0.16 0.04 0.03 0.00 -0.30 0.00 0.00 42.92 42.85 2wrk s ASP 4 CO 0.71 -0.34 1.50 -2.65 -0.17 0.00 0.00 175.17 174.22 2wrk n PRO 5 N 4.57 -0.36 -0.01 4.34 -0.02 -1.26 -2.53 135.00 139.72 2wrk n PRO 5 Ca 0.06 1.47 -0.03 0.00 -2.02 0.00 0.00 63.50 62.98 2wrk n PRO 5 Cb 0.42 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2wrk n PRO 5 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wrk h ILE 6 N 0.00 0.00 -1.75 4.25 5.03 -1.97 0.11 117.51 123.18 2wrk h ILE 6 Ca 0.21 0.00 0.51 0.00 -0.12 0.00 0.00 64.86 65.46 2wrk h ILE 6 Cb 0.46 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 34.18 2wrk h ILE 6 CO -0.93 0.00 1.29 0.00 -0.68 0.00 0.00 178.15 177.83 2wrk h ALA 7 N -1.16 3.66 0.01 1.87 0.00 -1.88 1.47 119.26 123.22 2wrk h ALA 7 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2wrk h ALA 7 Cb 0.11 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wrk h ALA 7 CO -0.09 -2.19 -0.29 0.22 0.00 0.00 0.00 179.25 176.90 2wrk h ASP 8 N 0.00 0.25 -0.55 0.00 3.58 -0.70 -2.01 116.42 116.98 2wrk h ASP 8 Ca 0.83 -0.79 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2wrk h ASP 8 Cb 3.39 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 44.34 2wrk h ASP 8 CO -0.01 1.01 0.27 -0.03 -2.88 0.00 0.00 179.24 177.61 2wrk h MET 9 N -0.49 0.78 -0.70 0.28 4.05 0.42 0.17 114.93 119.45 2wrk h MET 9 Ca -0.04 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.31 2wrk h MET 9 Cb 1.06 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 31.67 2wrk h MET 9 CO 0.06 0.63 0.42 -0.07 0.23 0.00 0.00 176.91 178.18 2wrk h LEU 10 N 0.74 0.67 0.25 3.39 3.38 -0.69 -2.74 115.31 120.31 2wrk h LEU 10 Ca 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2wrk h LEU 10 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wrk h LEU 10 CO -0.03 0.45 -0.12 0.74 0.09 0.00 0.00 178.44 179.58 2wrk h THR 11 N 0.81 0.80 0.00 0.22 2.02 -0.59 -2.11 112.91 114.04 2wrk h THR 11 Ca 0.29 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wrk h THR 11 Cb 0.08 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2wrk h THR 11 CO -0.13 0.06 0.17 0.03 0.37 0.00 0.00 175.52 176.02 2wrk h ARG 12 N -0.49 0.00 0.14 6.66 3.08 -0.49 0.45 114.38 123.73 2wrk h ARG 12 Ca -0.03 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.72 2wrk h ARG 12 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wrk h ARG 12 CO 0.06 0.00 -1.46 0.82 -1.07 0.00 0.00 179.97 178.32 2wrk h ILE 13 N 0.00 1.05 0.67 2.04 1.08 -1.15 -3.18 117.51 118.03 2wrk h ILE 13 Ca 0.00 -2.45 -0.03 0.00 -0.39 0.00 0.00 64.86 61.98 2wrk h ILE 13 Cb 0.33 2.78 0.01 0.00 -3.07 0.00 0.00 36.82 36.87 2wrk h ILE 13 CO 0.00 0.75 -0.32 -0.09 -0.69 0.00 0.00 178.15 177.80 2wrk h ARG 14 N -0.18 -0.87 -0.51 2.37 2.43 0.34 -2.02 114.38 115.95 2wrk h ARG 14 Ca -0.30 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.08 2wrk h ARG 14 Cb 1.86 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.59 2wrk h ARG 14 CO 0.11 -0.58 0.61 -0.91 -1.51 0.00 0.00 179.97 177.69 2wrk h ASN 15 N -1.05 0.00 0.13 -3.80 2.35 -0.72 -1.67 115.58 110.82 2wrk h ASN 15 Ca -0.09 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.31 2wrk h ASN 15 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2wrk h ASN 15 CO 0.15 0.00 -1.88 0.00 -1.65 0.00 0.00 177.43 174.05 2wrk h ALA 16 N 1.26 0.35 -0.22 -0.83 0.00 -1.51 -3.35 119.26 114.97 2wrk h ALA 16 Ca 0.24 -1.32 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 2wrk h ALA 16 Cb 1.46 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2wrk h ALA 16 CO -0.00 1.20 0.08 1.79 0.00 0.00 0.00 179.25 182.31 2wrk h THR 17 N 0.00 1.09 0.00 0.00 1.35 -0.55 -1.45 112.91 113.36 2wrk h THR 17 Ca -0.40 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2wrk h THR 17 Cb 2.00 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2wrk h THR 17 CO 0.09 0.11 0.00 0.54 -0.25 0.00 0.00 175.52 176.01 2wrk n ARG 18 N -4.44 0.12 -0.50 4.72 3.00 -0.92 -0.85 116.66 117.79 2wrk n ARG 18 Ca 0.00 0.21 0.05 0.00 -0.01 0.00 0.00 57.85 58.10 2wrk n ARG 18 Cb 0.13 -1.50 0.09 0.00 0.00 0.00 0.00 32.46 31.17 2wrk n ARG 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wrk n VAL 19 N -1.30 1.05 -2.09 1.55 0.24 -0.61 -4.95 118.33 112.21 2wrk n VAL 19 Ca 0.04 -1.49 -0.05 0.00 -2.04 0.00 0.00 64.34 60.80 2wrk n VAL 19 Cb 0.08 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 2wrk n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wrk n TYR 20 N -0.64 -1.47 -1.33 6.34 4.01 -0.03 -4.83 117.16 119.21 2wrk n TYR 20 Ca 0.10 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 2wrk n TYR 20 Cb 0.74 -1.69 0.08 0.00 -0.31 0.00 0.00 39.34 38.16 2wrk n TYR 20 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2wrk n LYS 21 N -2.25 0.43 -0.02 -0.72 4.81 -0.79 -4.94 118.16 114.68 2wrk n LYS 21 Ca -0.06 0.19 -0.10 0.00 -0.87 0.00 0.00 58.31 57.47 2wrk n LYS 21 Cb 0.44 -2.05 -0.09 0.00 0.02 0.00 0.00 35.03 33.35 2wrk n LYS 21 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2wrk h GLU 22 N -0.27 -0.07 -4.83 1.64 4.81 -1.88 -3.45 114.58 110.52 2wrk h GLU 22 Ca -0.47 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.36 2wrk h GLU 22 Cb 1.34 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.60 2wrk h GLU 22 CO 0.45 0.51 -0.53 -1.54 -0.73 0.00 0.00 179.01 177.18 2wrk s SER 23 N -5.80 1.32 -0.25 1.04 1.04 -1.26 -1.80 113.70 107.99 2wrk s SER 23 Ca -0.13 -1.66 -0.26 0.00 0.48 0.00 0.00 55.95 54.38 2wrk s SER 23 Cb -0.01 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.71 2wrk s SER 23 CO 0.49 -1.00 0.88 0.28 0.98 0.00 0.00 173.24 174.87 2wrk s THR 24 N -3.62 0.00 0.41 2.02 -1.32 0.13 -4.93 115.64 108.33 2wrk s THR 24 Ca 0.40 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.90 2wrk s THR 24 Cb 0.04 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 2wrk s THR 24 CO 0.23 0.00 0.61 -1.81 -2.21 0.00 0.00 174.62 171.44 2wrk s ASP 25 N 0.04 5.89 -0.28 8.08 1.11 -1.26 0.32 116.67 130.57 2wrk s ASP 25 Ca 0.00 0.16 -0.20 0.00 0.18 0.00 0.00 52.55 52.69 2wrk s ASP 25 Cb -0.04 -1.47 0.12 0.00 1.07 0.00 0.00 42.92 42.59 2wrk s ASP 25 CO -0.01 -0.60 0.91 0.54 1.18 0.00 0.00 175.17 177.18 2wrk s VAL 26 N -2.43 0.00 0.18 -1.27 0.11 -0.73 -4.93 120.40 111.33 2wrk s VAL 26 Ca 0.47 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.25 2wrk s VAL 26 Cb -0.10 -1.00 -0.16 0.00 -1.53 0.00 0.00 36.38 33.59 2wrk s VAL 26 CO 0.36 0.00 0.52 -2.65 -3.33 0.00 0.00 175.10 170.00 2wrk n PRO 27 N 3.18 0.00 -3.46 1.54 -0.02 -1.26 -0.89 135.00 134.09 2wrk n PRO 27 Ca -0.16 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.94 2wrk n PRO 27 Cb 0.57 -0.98 -0.06 0.00 -0.02 0.00 0.00 33.50 33.01 2wrk n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrk s ALA 28 N -0.92 3.67 -0.11 3.55 0.00 -1.15 -4.55 121.76 122.24 2wrk s ALA 28 Ca 0.62 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 2wrk s ALA 28 Cb -0.91 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 19.83 2wrk s ALA 28 CO 0.54 0.48 0.44 -1.54 0.00 0.00 0.00 175.76 175.67 2wrk s SER 29 N -1.24 -0.41 0.23 0.00 1.04 -1.26 -4.94 113.70 107.12 2wrk s SER 29 Ca 0.27 0.66 -0.06 0.00 0.48 0.00 0.00 55.95 57.30 2wrk s SER 29 Cb -0.17 0.71 0.31 0.00 0.10 0.00 0.00 66.02 66.97 2wrk s SER 29 CO 0.16 -0.28 1.84 -0.09 0.98 0.00 0.00 173.24 175.84 2wrk h ARG 30 N 4.74 0.89 -0.22 4.02 2.43 -2.00 -2.31 114.38 121.94 2wrk h ARG 30 Ca -0.28 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.85 2wrk h ARG 30 Cb 1.17 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2wrk h ARG 30 CO 0.29 0.59 0.10 0.35 -1.51 0.00 0.00 179.97 179.78 2wrk h PHE 31 N 0.92 0.18 0.05 2.20 3.57 -2.01 -2.94 116.94 118.90 2wrk h PHE 31 Ca 0.35 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2wrk h PHE 31 Cb 0.16 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2wrk h PHE 31 CO -0.04 0.10 -0.04 0.87 -2.23 0.00 0.00 178.31 176.97 2wrk h LYS 32 N 0.21 -0.09 -1.11 1.11 1.57 -1.89 -1.33 116.57 115.04 2wrk h LYS 32 Ca 0.09 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.20 2wrk h LYS 32 Cb 0.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2wrk h LYS 32 CO -0.07 -0.06 1.13 1.49 -0.57 0.00 0.00 179.45 181.37 2wrk h GLU 33 N -0.09 0.00 0.08 3.15 4.81 -1.24 0.51 114.58 121.80 2wrk h GLU 33 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wrk h GLU 33 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2wrk h GLU 33 CO -0.00 0.00 -0.04 0.93 -0.73 0.00 0.00 179.01 179.17 2wrk h GLU 34 N 0.00 -0.10 -0.29 1.92 4.39 -1.19 -1.17 114.58 118.15 2wrk h GLU 34 Ca 0.53 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.28 2wrk h GLU 34 Cb 2.77 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 31.37 2wrk h GLU 34 CO -0.01 0.44 -0.48 0.82 -1.16 0.00 0.00 179.01 178.62 2wrk h ILE 35 N -0.89 0.07 -0.54 3.13 1.08 0.03 -0.36 117.51 120.03 2wrk h ILE 35 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2wrk h ILE 35 Cb 0.59 0.07 -0.10 0.00 -3.07 0.00 0.00 36.82 34.30 2wrk h ILE 35 CO 0.02 0.00 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.00 2wrk h LEU 36 N -0.44 -1.38 -1.17 1.44 3.38 -1.40 0.47 115.31 116.21 2wrk h LEU 36 Ca 0.09 0.23 0.43 0.00 0.09 0.00 0.00 57.88 58.72 2wrk h LEU 36 Cb 0.62 0.64 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 2wrk h LEU 36 CO -0.51 -0.33 0.71 -1.14 0.09 0.00 0.00 178.44 177.26 2wrk n ARG 37 N -5.42 -0.04 -0.08 1.13 0.63 -0.20 -0.67 116.66 112.02 2wrk n ARG 37 Ca 0.02 1.24 -0.14 0.00 -0.92 0.00 0.00 57.85 58.05 2wrk n ARG 37 Cb 0.35 -2.35 -0.11 0.00 0.45 0.00 0.00 32.46 30.80 2wrk n ARG 37 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2wrk h ILE 38 N 0.00 1.33 -0.90 5.15 2.04 0.48 -2.61 117.51 123.00 2wrk h ILE 38 Ca 0.82 -2.11 0.20 0.00 1.00 0.00 0.00 64.86 64.78 2wrk h ILE 38 Cb 2.48 2.62 -0.12 0.00 -0.74 0.00 0.00 36.82 41.06 2wrk h ILE 38 CO -0.56 0.45 0.44 -0.07 0.00 0.00 0.00 178.15 178.41 2wrk h LEU 39 N -1.00 0.45 0.73 1.44 -0.00 0.04 0.62 115.31 117.58 2wrk h LEU 39 Ca -0.08 0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.90 2wrk h LEU 39 Cb 0.94 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2wrk h LEU 39 CO -0.05 0.08 -0.41 0.00 -0.00 0.00 0.00 178.44 178.06 2wrk h ALA 40 N 1.67 -1.25 -0.00 1.53 0.00 -1.00 0.15 119.26 120.36 2wrk h ALA 40 Ca 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2wrk h ALA 40 Cb 0.97 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2wrk h ALA 40 CO -0.47 -1.19 0.02 -0.09 0.00 0.00 0.00 179.25 177.51 2wrk h ARG 41 N -1.05 0.00 -0.06 0.00 2.43 -0.87 -0.36 114.38 114.46 2wrk h ARG 41 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2wrk h ARG 41 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2wrk h ARG 41 CO 0.12 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 2wrk n GLU 42 N -3.19 2.01 0.00 0.20 -0.58 0.21 -4.96 120.64 114.33 2wrk n GLU 42 Ca -0.03 -1.48 0.00 0.00 -0.42 0.00 0.00 57.16 55.23 2wrk n GLU 42 Cb 0.09 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 2wrk n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrk n GLY 43 N 1.27 1.85 0.32 0.62 0.00 -0.14 -4.93 105.19 104.17 2wrk n GLY 43 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.39 2wrk n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wrk h PHE 44 N 0.00 0.00 -4.08 1.61 0.04 -0.93 -3.44 116.94 110.15 2wrk h PHE 44 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2wrk h PHE 44 Cb 0.00 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 2wrk h PHE 44 CO 0.00 0.01 -0.53 0.96 -0.60 0.00 0.00 178.31 178.16 2wrk s ILE 45 N -4.12 0.16 -1.62 -0.55 -4.36 -1.18 -4.43 121.20 105.10 2wrk s ILE 45 Ca -0.04 -1.56 0.29 0.00 -0.26 0.00 0.00 60.65 59.09 2wrk s ILE 45 Cb 0.12 -1.58 0.51 0.00 1.25 0.00 0.00 42.46 42.77 2wrk s ILE 45 CO 0.47 -0.72 1.94 0.29 0.24 0.00 0.00 174.94 177.16 2wrk n LYS 46 N -0.02 0.65 0.00 0.37 5.02 -0.76 -4.49 118.16 118.93 2wrk n LYS 46 Ca -0.12 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 2wrk n LYS 46 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2wrk n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrk n GLY 47 N 1.26 2.87 3.13 0.72 0.00 -1.24 -4.93 105.19 107.00 2wrk n GLY 47 Ca 0.15 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 2wrk n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wrk n TYR 48 N -1.41 0.31 -3.65 1.61 0.18 -1.26 -0.26 117.16 112.69 2wrk n TYR 48 Ca 0.00 -2.39 -0.04 0.00 1.88 0.00 0.00 57.90 57.36 2wrk n TYR 48 Cb 0.00 -0.06 -0.07 0.00 -0.38 0.00 0.00 39.34 38.83 2wrk n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2wrk s GLU 49 N -3.48 0.14 0.06 -3.48 -1.05 -1.11 -4.93 118.70 104.85 2wrk s GLU 49 Ca 0.15 0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.82 2wrk s GLU 49 Cb 0.01 0.07 -0.08 0.00 -0.44 0.00 0.00 34.13 33.68 2wrk s GLU 49 CO 0.11 -0.02 1.68 1.03 0.95 0.00 0.00 175.26 179.01 2wrk s ARG 50 N 0.00 4.19 0.07 -4.83 0.52 -1.26 -1.56 118.95 116.08 2wrk s ARG 50 Ca 0.07 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 2wrk s ARG 50 Cb -0.05 -3.64 -0.00 0.00 0.52 0.00 0.00 34.95 31.78 2wrk s ARG 50 CO -0.14 -0.76 0.02 1.33 0.02 0.00 0.00 175.30 175.78 2wrk n VAL 51 N 4.81 0.00 -3.75 3.52 0.24 -0.12 -4.93 118.33 118.09 2wrk n VAL 51 Ca 0.16 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 2wrk n VAL 51 Cb 0.41 0.12 -0.12 0.00 -1.47 0.00 0.00 33.84 32.78 2wrk n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wrk s ASP 52 N -1.40 -0.31 -0.13 -1.34 2.15 -1.26 -2.79 116.67 111.58 2wrk s ASP 52 Ca 0.03 0.59 -0.03 0.00 0.43 0.00 0.00 52.55 53.57 2wrk s ASP 52 Cb 0.00 0.55 0.05 0.00 -0.30 0.00 0.00 42.92 43.22 2wrk s ASP 52 CO 0.02 -0.13 0.05 -0.69 -0.17 0.00 0.00 175.17 174.25 2wrk s VAL 53 N 0.60 0.20 -1.43 1.11 1.01 -0.94 -4.78 120.40 116.17 2wrk s VAL 53 Ca -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2wrk s VAL 53 Cb -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2wrk s VAL 53 CO -0.04 -0.06 0.55 0.47 0.00 0.00 0.00 175.10 176.02 2wrk n ASP 54 N 5.18 -5.76 0.00 3.32 8.00 -1.26 -1.55 116.55 124.49 2wrk n ASP 54 Ca -0.07 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.17 2wrk n ASP 54 Cb 0.49 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 2wrk n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wrk n GLY 55 N -1.46 2.09 3.64 0.44 0.00 -1.26 -4.95 105.19 103.70 2wrk n GLY 55 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2wrk n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrk s LYS 56 N 0.00 4.15 0.20 1.61 1.02 -0.59 -5.02 119.74 121.11 2wrk s LYS 56 Ca 0.00 0.57 -0.31 0.00 0.02 0.00 0.00 55.97 56.24 2wrk s LYS 56 Cb 0.00 -3.62 -0.15 0.00 -0.52 0.00 0.00 37.83 33.54 2wrk s LYS 56 CO 0.00 -0.34 1.10 -0.35 -0.92 0.00 0.00 175.35 174.84 2wrk n PRO 57 N 5.43 1.17 -3.87 -1.68 -0.04 -1.26 -2.21 135.00 132.54 2wrk n PRO 57 Ca -0.01 0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2wrk n PRO 57 Cb 0.49 -1.86 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 2wrk n PRO 57 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wrk s TYR 58 N -0.44 0.19 -0.07 0.54 1.51 -1.12 -2.95 117.35 115.01 2wrk s TYR 58 Ca 0.69 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 2wrk s TYR 58 Cb -0.82 0.00 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 2wrk s TYR 58 CO 0.54 -0.65 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.69 2wrk s LEU 59 N -2.90 2.79 -0.30 -1.29 1.43 -0.07 -0.95 118.68 117.39 2wrk s LEU 59 Ca 0.10 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2wrk s LEU 59 Cb 0.04 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2wrk s LEU 59 CO -0.06 0.30 0.08 -0.60 0.23 0.00 0.00 176.35 176.30 2wrk s ARG 60 N -0.46 2.97 -0.17 1.70 3.52 -0.60 -1.78 118.95 124.14 2wrk s ARG 60 Ca 0.06 -0.93 -0.19 0.00 -0.13 0.00 0.00 55.73 54.54 2wrk s ARG 60 Cb -0.12 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2wrk s ARG 60 CO 0.02 -0.49 0.53 0.08 -0.81 0.00 0.00 175.30 174.63 2wrk s VAL 61 N 1.47 5.12 -0.29 7.11 1.01 0.15 -2.77 120.40 132.20 2wrk s VAL 61 Ca 0.02 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 2wrk s VAL 61 Cb -0.18 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2wrk s VAL 61 CO 0.02 0.22 0.40 -0.31 0.00 0.00 0.00 175.10 175.43 2wrk s TYR 62 N 1.32 3.23 0.78 5.22 2.02 0.65 -0.69 117.35 129.87 2wrk s TYR 62 Ca 0.26 0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 57.17 2wrk s TYR 62 Cb -0.15 -2.64 0.06 0.00 -0.40 0.00 0.00 41.96 38.82 2wrk s TYR 62 CO 0.10 -0.30 1.12 -0.51 -1.57 0.00 0.00 175.55 174.39 2wrk s LEU 63 N 2.12 2.63 -0.00 -1.29 2.01 -0.74 -1.83 118.68 121.57 2wrk s LEU 63 Ca 0.15 1.10 0.00 0.00 0.01 0.00 0.00 54.13 55.39 2wrk s LEU 63 Cb -0.16 -3.73 0.00 0.00 0.01 0.00 0.00 46.19 42.32 2wrk s LEU 63 CO 0.11 -1.78 -0.01 -0.75 1.01 0.00 0.00 176.35 174.93 2wrk s LYS 64 N -5.33 0.08 0.28 1.70 2.20 -1.26 -4.42 119.74 112.99 2wrk s LYS 64 Ca 0.60 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 56.23 2wrk s LYS 64 Cb -0.12 -0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.06 2wrk s LYS 64 CO 0.52 0.01 0.20 0.71 -0.36 0.00 0.00 175.35 176.43 2wrk s TYR 65 N 0.07 1.53 0.61 4.03 1.51 -1.26 -3.85 117.35 119.98 2wrk s TYR 65 Ca -0.00 -1.49 -0.01 0.00 -1.01 0.00 0.00 57.07 54.56 2wrk s TYR 65 Cb -0.02 -0.71 0.05 0.00 -0.11 0.00 0.00 41.96 41.18 2wrk s TYR 65 CO -0.00 -0.70 0.85 0.20 -1.11 0.00 0.00 175.55 174.79 2wrk s GLY 66 N -3.31 1.79 0.67 0.71 0.00 -0.50 -4.90 107.32 101.78 2wrk s GLY 66 Ca 0.39 -1.31 -0.17 0.00 0.00 0.00 0.00 44.72 43.63 2wrk s GLY 66 CO 0.20 -0.96 1.15 -1.55 0.00 0.00 0.00 173.10 171.94 2wrk n PRO 67 N -2.53 0.84 -0.62 2.90 -0.04 -1.26 -4.34 135.00 129.95 2wrk n PRO 67 Ca 0.09 0.34 -0.31 0.00 -0.04 0.00 0.00 63.50 63.58 2wrk n PRO 67 Cb 0.60 -2.38 0.20 0.00 -0.04 0.00 0.00 33.50 31.87 2wrk n PRO 67 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wrk n ARG 68 N -1.86 -1.82 -4.08 0.54 0.63 -1.26 -4.34 116.66 104.47 2wrk n ARG 68 Ca 0.15 -0.51 -0.10 0.00 -0.92 0.00 0.00 57.85 56.47 2wrk n ARG 68 Cb 0.48 -1.85 -0.11 0.00 0.45 0.00 0.00 32.46 31.43 2wrk n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wrk s ARG 69 N -3.75 0.59 0.33 -0.14 0.52 -0.73 -4.91 118.95 110.85 2wrk s ARG 69 Ca 0.60 -0.99 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 2wrk s ARG 69 Cb -0.17 -0.08 -0.08 0.00 0.52 0.00 0.00 34.95 35.15 2wrk s ARG 69 CO 0.66 -0.02 0.70 -0.65 0.02 0.00 0.00 175.30 176.01 2wrk s GLN 70 N -2.69 3.87 0.00 3.54 -1.52 -1.26 -4.37 119.66 117.23 2wrk s GLN 70 Ca -0.01 0.50 0.00 0.00 -1.95 0.00 0.00 55.36 53.89 2wrk s GLN 70 Cb -0.02 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 2wrk s GLN 70 CO -0.04 0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.54 2wrk n GLY 71 N -0.67 -3.00 3.77 3.09 0.00 -1.26 -4.92 105.19 102.20 2wrk n GLY 71 Ca 0.02 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 2wrk n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wrk s PRO 72 N -0.77 1.88 -0.56 1.61 0.02 -1.26 -4.15 135.00 131.78 2wrk s PRO 72 Ca 0.00 0.78 -0.18 0.00 0.02 0.00 0.00 61.00 61.61 2wrk s PRO 72 Cb 0.00 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.66 2wrk s PRO 72 CO 0.00 -1.80 0.64 -3.47 -0.33 0.00 0.00 177.00 172.04 2wrk n ASP 73 N -3.57 -6.60 0.19 2.53 4.64 -1.26 -4.87 116.55 107.61 2wrk n ASP 73 Ca 0.07 -0.05 0.14 0.00 -1.38 0.00 0.00 54.79 53.57 2wrk n ASP 73 Cb 0.55 -3.52 0.47 0.00 -1.04 0.00 0.00 41.12 37.59 2wrk n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2wrk h PRO 74 N 1.38 0.00 -3.25 -0.67 0.13 -1.76 -3.47 132.00 124.36 2wrk h PRO 74 Ca -0.30 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.37 2wrk h PRO 74 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2wrk h PRO 74 CO 0.26 0.00 0.31 0.54 -0.23 0.00 0.00 178.00 178.88 2wrk n ARG 75 N -2.70 0.00 -0.72 0.86 1.74 -1.26 -1.78 116.66 112.80 2wrk n ARG 75 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 2wrk n ARG 75 Cb 0.35 -0.81 0.15 0.00 -1.02 0.00 0.00 32.46 31.13 2wrk n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wrk n PRO 76 N 1.93 -1.34 -2.80 5.56 -0.04 -1.26 -4.75 135.00 132.30 2wrk n PRO 76 Ca 0.16 -0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 62.93 2wrk n PRO 76 Cb -0.02 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 2wrk n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2wrk s GLU 77 N -3.29 3.86 0.44 0.54 2.12 -1.26 -4.87 118.70 116.24 2wrk s GLU 77 Ca 0.54 0.61 -0.14 0.00 0.36 0.00 0.00 54.97 56.35 2wrk s GLU 77 Cb -0.10 -2.34 -0.07 0.00 0.26 0.00 0.00 34.13 31.88 2wrk s GLU 77 CO 0.66 -0.06 0.86 -0.65 -0.54 0.00 0.00 175.26 175.53 2wrk s GLN 78 N -3.76 3.88 -0.10 4.30 -1.52 -1.26 -1.41 119.66 119.79 2wrk s GLN 78 Ca 0.53 0.69 0.02 0.00 -1.95 0.00 0.00 55.36 54.66 2wrk s GLN 78 Cb -0.10 -2.29 -0.24 0.00 -0.22 0.00 0.00 33.01 30.16 2wrk s GLN 78 CO 0.29 -0.11 0.44 0.28 -0.25 0.00 0.00 175.29 175.93 2wrk n VAL 79 N -1.31 1.69 -3.50 1.09 0.31 -1.25 -4.48 118.33 110.87 2wrk n VAL 79 Ca 0.04 -0.71 -0.42 0.00 -0.01 0.00 0.00 64.34 63.24 2wrk n VAL 79 Cb 0.54 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 32.02 2wrk n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wrk s ILE 80 N -2.57 4.91 0.24 2.52 1.01 -1.26 -4.90 121.20 121.15 2wrk s ILE 80 Ca -0.16 -3.04 0.07 0.00 0.00 0.00 0.00 60.65 57.52 2wrk s ILE 80 Cb 0.07 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2wrk s ILE 80 CO 0.78 -1.02 1.56 0.45 0.00 0.00 0.00 174.94 176.71 2wrk h HIS 81 N 7.04 0.19 -2.75 3.97 3.86 -1.45 -3.45 115.15 122.56 2wrk h HIS 81 Ca 0.10 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 2wrk h HIS 81 Cb 0.94 -0.03 -0.26 0.00 1.06 0.00 0.00 27.41 29.12 2wrk h HIS 81 CO 0.84 0.74 -0.32 -1.58 0.86 0.00 0.00 177.93 178.47 2wrk s HIS 82 N -3.64 -0.51 -0.12 2.45 5.65 0.12 -5.01 115.29 114.23 2wrk s HIS 82 Ca -0.03 1.14 -0.05 0.00 0.25 0.00 0.00 55.06 56.37 2wrk s HIS 82 Cb 0.12 0.20 0.06 0.00 -1.18 0.00 0.00 32.58 31.78 2wrk s HIS 82 CO 0.79 -0.29 0.24 -1.50 -0.65 0.00 0.00 174.74 173.33 2wrk s ILE 83 N 1.05 -0.31 -0.12 0.89 1.10 -1.26 -1.79 121.20 120.75 2wrk s ILE 83 Ca -0.07 0.27 -0.08 0.00 -0.51 0.00 0.00 60.65 60.26 2wrk s ILE 83 Cb -0.07 -0.40 0.04 0.00 0.15 0.00 0.00 42.46 42.18 2wrk s ILE 83 CO -0.08 0.11 0.29 -0.60 -2.11 0.00 0.00 174.94 172.55 2wrk s ARG 84 N 2.16 0.30 0.04 3.50 3.52 -1.11 -4.96 118.95 122.40 2wrk s ARG 84 Ca -0.01 0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 2wrk s ARG 84 Cb -0.12 0.04 -0.06 0.00 -1.56 0.00 0.00 34.95 33.25 2wrk s ARG 84 CO -0.08 -0.10 1.40 0.50 -0.81 0.00 0.00 175.30 176.21 2wrk s ARG 85 N 0.72 4.29 -0.06 5.12 3.52 -1.26 -2.76 118.95 128.52 2wrk s ARG 85 Ca -0.05 2.01 -0.02 0.00 -0.13 0.00 0.00 55.73 57.53 2wrk s ARG 85 Cb -0.06 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2wrk s ARG 85 CO -0.05 -0.53 -0.05 0.82 -0.81 0.00 0.00 175.30 174.68 2wrk h ILE 86 N 4.73 0.00 -3.34 4.11 1.08 -1.72 -3.47 117.51 118.90 2wrk h ILE 86 Ca -0.39 -0.47 -0.56 0.00 -0.39 0.00 0.00 64.86 63.05 2wrk h ILE 86 Cb 1.19 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 2wrk h ILE 86 CO 0.89 0.00 0.04 -0.55 -0.69 0.00 0.00 178.15 177.84 2wrk s SER 87 N -4.40 7.06 0.15 1.72 0.15 -1.17 -4.90 113.70 112.32 2wrk s SER 87 Ca -0.04 1.27 0.04 0.00 0.70 0.00 0.00 55.95 57.92 2wrk s SER 87 Cb 0.01 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2wrk s SER 87 CO 0.06 0.10 -0.09 -0.54 1.20 0.00 0.00 173.24 173.97 2wrk s LYS 88 N -0.29 1.08 0.66 5.44 1.02 -1.07 -4.93 119.74 121.65 2wrk s LYS 88 Ca 0.33 -1.47 0.40 0.00 0.02 0.00 0.00 55.97 55.25 2wrk s LYS 88 Cb -0.19 -0.59 2.21 0.00 -0.52 0.00 0.00 37.83 38.74 2wrk s LYS 88 CO 0.19 0.05 2.26 -1.00 -0.92 0.00 0.00 175.35 175.93 2wrk h PRO 89 N 2.75 0.00 0.42 -1.68 0.13 -1.97 -1.80 132.00 129.85 2wrk h PRO 89 Ca -0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2wrk h PRO 89 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wrk h PRO 89 CO 0.64 0.00 -0.20 0.78 -0.23 0.00 0.00 178.00 178.99 2wrk h GLY 90 N 0.00 -0.59 -7.16 1.56 0.00 -1.99 -3.42 103.07 91.48 2wrk h GLY 90 Ca 0.00 0.22 -0.50 0.00 0.00 0.00 0.00 47.33 47.05 2wrk h GLY 90 CO -0.00 -0.21 -0.76 -1.60 0.00 0.00 0.00 176.54 173.97 2wrk s ARG 91 N -4.32 0.41 0.71 4.80 3.00 -0.69 -5.14 118.95 117.72 2wrk s ARG 91 Ca -0.13 -0.33 -0.11 0.00 -1.00 0.00 0.00 55.73 54.16 2wrk s ARG 91 Cb 0.02 -1.95 0.01 0.00 0.00 0.00 0.00 34.95 33.03 2wrk s ARG 91 CO 0.46 -0.69 1.06 1.03 0.00 0.00 0.00 175.30 177.16 2wrk s ARG 92 N 1.97 2.85 -0.04 5.12 1.81 -1.12 -2.61 118.95 126.92 2wrk s ARG 92 Ca 0.01 0.88 0.02 0.00 -1.72 0.00 0.00 55.73 54.92 2wrk s ARG 92 Cb -0.17 -1.99 0.01 0.00 -0.45 0.00 0.00 34.95 32.36 2wrk s ARG 92 CO -0.11 -1.14 -0.07 0.08 -0.68 0.00 0.00 175.30 173.38 2wrk s VAL 93 N -3.08 0.68 -0.04 3.52 1.01 -1.26 -4.90 120.40 116.33 2wrk s VAL 93 Ca 0.58 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2wrk s VAL 93 Cb -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2wrk s VAL 93 CO 0.55 0.24 -0.12 -0.31 0.00 0.00 0.00 175.10 175.46 2wrk s TYR 94 N 0.60 1.26 -0.04 5.22 2.02 -1.26 -2.06 117.35 123.09 2wrk s TYR 94 Ca -0.09 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2wrk s TYR 94 Cb -0.12 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.56 2wrk s TYR 94 CO 0.01 -0.16 -0.06 0.14 -1.57 0.00 0.00 175.55 173.91 2wrk s VAL 95 N 0.29 0.62 0.56 0.71 -7.23 -0.47 -4.98 120.40 109.90 2wrk s VAL 95 Ca -0.06 -0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 59.73 2wrk s VAL 95 Cb -0.11 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 2wrk s VAL 95 CO 0.02 0.23 1.04 -0.83 -0.31 0.00 0.00 175.10 175.25 2wrk s GLY 96 N 0.59 2.18 0.36 2.32 0.00 -1.26 -1.63 107.32 109.88 2wrk s GLY 96 Ca -0.08 0.40 0.17 0.00 0.00 0.00 0.00 44.72 45.21 2wrk s GLY 96 CO 0.01 0.71 1.59 -0.24 0.00 0.00 0.00 173.10 175.17 2wrk h VAL 97 N 0.70 0.05 -0.04 1.40 3.04 -1.91 0.94 116.25 120.44 2wrk h VAL 97 Ca -0.47 -0.02 -0.12 0.00 -1.01 0.00 0.00 66.70 65.07 2wrk h VAL 97 Cb 1.21 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2wrk h VAL 97 CO 0.58 0.01 -0.54 0.07 -1.01 0.00 0.00 177.57 176.68 2wrk h LYS 98 N 0.05 0.12 0.01 4.17 2.10 -1.91 -3.26 116.57 117.85 2wrk h LYS 98 Ca 0.79 -0.08 -0.20 0.00 -2.00 0.00 0.00 60.65 59.17 2wrk h LYS 98 Cb 2.01 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 33.33 2wrk h LYS 98 CO -0.76 0.64 -0.92 0.93 -2.00 0.00 0.00 179.45 177.33 2wrk h GLU 99 N 0.10 0.06 -2.86 0.07 5.08 0.56 -3.48 114.58 114.11 2wrk h GLU 99 Ca -0.00 -0.07 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 2wrk h GLU 99 Cb 0.99 0.02 0.03 0.00 0.50 0.00 0.00 28.75 30.30 2wrk h GLU 99 CO 0.08 0.94 -0.05 -0.89 -1.00 0.00 0.00 179.01 178.08 2wrk n ILE 100 N -3.51 0.27 -1.02 3.13 5.41 -0.90 -4.91 119.36 117.83 2wrk n ILE 100 Ca -0.02 -0.07 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 2wrk n ILE 100 Cb 0.86 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.97 2wrk n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wrk s PRO 101 N -0.13 0.41 -0.55 0.38 0.02 -1.26 -5.03 135.00 128.83 2wrk s PRO 101 Ca 0.40 0.73 0.06 0.00 0.02 0.00 0.00 61.00 62.20 2wrk s PRO 101 Cb -0.56 -1.72 0.22 0.00 0.02 0.00 0.00 34.50 32.46 2wrk s PRO 101 CO 0.27 -2.80 0.56 0.54 -0.33 0.00 0.00 177.00 175.24 2wrk n ARG 102 N -4.26 1.50 -1.61 5.54 3.00 -1.26 -4.95 116.66 114.62 2wrk n ARG 102 Ca 0.06 -4.01 -0.49 0.00 -0.01 0.00 0.00 57.85 53.40 2wrk n ARG 102 Cb 0.56 -1.90 -0.05 0.00 0.00 0.00 0.00 32.46 31.07 2wrk n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2wrk n VAL 103 N 1.60 0.37 -3.59 1.55 0.31 -1.26 -3.44 118.33 113.87 2wrk n VAL 103 Ca 0.25 -0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 64.28 2wrk n VAL 103 Cb 0.44 -1.06 0.01 0.00 -0.91 0.00 0.00 33.84 32.31 2wrk n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrk n ARG 104 N 2.43 -1.58 -1.88 5.55 3.00 -1.26 -2.55 116.66 120.37 2wrk n ARG 104 Ca 0.16 1.02 0.00 0.00 -0.00 0.00 0.00 57.85 59.04 2wrk n ARG 104 Cb 0.24 -3.03 0.00 0.00 0.00 0.00 0.00 32.46 29.67 2wrk n ARG 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2wrk n ARG 105 N -2.10 -0.79 0.00 -0.14 3.00 -1.22 0.17 116.66 115.58 2wrk n ARG 105 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 2wrk n ARG 105 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2wrk n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrk n GLY 106 N -0.74 3.12 0.18 5.14 0.00 -1.07 -4.95 105.19 106.87 2wrk n GLY 106 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2wrk n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrk h LEU 107 N 0.00 0.48 -9.87 0.99 3.38 0.17 -3.45 115.31 107.01 2wrk h LEU 107 Ca 0.00 -0.13 -0.53 0.00 0.09 0.00 0.00 57.88 57.31 2wrk h LEU 107 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2wrk h LEU 107 CO 0.00 0.48 0.04 -0.83 0.09 0.00 0.00 178.44 178.21 2wrk s GLY 108 N -2.81 2.52 0.56 0.83 0.00 -1.06 -5.00 107.32 102.38 2wrk s GLY 108 Ca -0.13 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 2wrk s GLY 108 CO 0.74 0.35 0.86 -1.50 0.00 0.00 0.00 173.10 173.55 2wrk s ILE 109 N -1.56 3.83 -0.40 0.90 2.07 -0.36 -4.08 121.20 121.59 2wrk s ILE 109 Ca 0.43 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.67 2wrk s ILE 109 Cb -0.15 -3.50 0.17 0.00 0.13 0.00 0.00 42.46 39.11 2wrk s ILE 109 CO 0.20 -0.49 0.47 0.00 -1.91 0.00 0.00 174.94 173.21 2wrk s ALA 110 N -2.91 -0.88 0.51 1.50 0.00 -1.26 -1.46 121.76 117.26 2wrk s ALA 110 Ca 0.53 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.46 2wrk s ALA 110 Cb -0.10 -2.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.69 2wrk s ALA 110 CO 0.44 -2.16 0.95 -0.89 0.00 0.00 0.00 175.76 174.10 2wrk n ILE 111 N 3.97 2.95 -3.64 0.00 5.41 -1.23 -2.43 119.36 124.39 2wrk n ILE 111 Ca 0.14 -0.50 -0.10 0.00 1.00 0.00 0.00 62.75 63.29 2wrk n ILE 111 Cb 0.49 -1.12 -0.07 0.00 -0.71 0.00 0.00 39.64 38.23 2wrk n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wrk s LEU 112 N -1.07 -0.72 -0.02 1.39 2.34 -0.43 -2.51 118.68 117.66 2wrk s LEU 112 Ca 0.69 1.31 -0.22 0.00 0.06 0.00 0.00 54.13 55.96 2wrk s LEU 112 Cb -0.48 2.28 -0.05 0.00 -0.56 0.00 0.00 46.19 47.38 2wrk s LEU 112 CO 0.52 -0.22 0.67 -0.55 -1.06 0.00 0.00 176.35 175.71 2wrk s SER 113 N 0.74 7.02 0.26 1.48 0.15 0.16 -2.38 113.70 121.13 2wrk s SER 113 Ca -0.03 1.23 0.03 0.00 0.70 0.00 0.00 55.95 57.88 2wrk s SER 113 Cb -0.05 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 2wrk s SER 113 CO -0.07 0.00 0.04 0.42 1.20 0.00 0.00 173.24 174.84 2wrk s THR 114 N 0.21 0.91 -1.78 6.45 -4.23 -0.60 -0.62 115.64 115.97 2wrk s THR 114 Ca 0.35 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 2wrk s THR 114 Cb -0.18 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.28 2wrk s THR 114 CO 0.19 -0.15 0.93 -1.54 -0.54 0.00 0.00 174.62 173.50 2wrk n SER 115 N -0.49 0.00 -2.75 3.99 3.41 -1.26 -1.67 113.62 114.86 2wrk n SER 115 Ca -0.03 -0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.26 2wrk n SER 115 Cb 0.65 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 2wrk n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrk n LYS 116 N -1.11 3.32 -0.01 4.33 5.02 -1.26 -5.08 118.16 123.36 2wrk n LYS 116 Ca 0.04 -4.72 0.00 0.00 -2.02 0.00 0.00 58.31 51.62 2wrk n LYS 116 Cb 0.03 -2.24 -0.00 0.00 -0.02 0.00 0.00 35.03 32.80 2wrk n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrk n GLY 117 N -0.35 -1.38 3.69 0.72 0.00 -0.67 -4.76 105.19 102.45 2wrk n GLY 117 Ca 0.34 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 2wrk n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrk s VAL 118 N -0.03 5.23 0.37 1.61 1.01 -1.26 -1.56 120.40 125.77 2wrk s VAL 118 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2wrk s VAL 118 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2wrk s VAL 118 CO 0.00 0.30 0.20 -0.76 0.00 0.00 0.00 175.10 174.84 2wrk s LEU 119 N 0.96 1.85 0.43 3.92 1.43 -1.00 -5.01 118.68 121.26 2wrk s LEU 119 Ca 0.19 -1.71 0.08 0.00 -1.03 0.00 0.00 54.13 51.65 2wrk s LEU 119 Cb -0.14 0.22 -0.01 0.00 0.03 0.00 0.00 46.19 46.29 2wrk s LEU 119 CO 0.07 -1.00 0.40 0.42 0.23 0.00 0.00 176.35 176.48 2wrk s THR 120 N -3.35 2.57 0.00 5.49 -4.23 -1.26 -1.32 115.64 113.55 2wrk s THR 120 Ca 0.32 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2wrk s THR 120 Cb 0.02 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2wrk s THR 120 CO 0.20 0.00 0.80 -0.90 -0.54 0.00 0.00 174.62 174.19 2wrk n ASP 121 N -1.60 0.00 -0.31 3.99 5.75 -1.02 -1.81 116.55 121.54 2wrk n ASP 121 Ca 0.04 0.80 0.11 0.00 -0.01 0.00 0.00 54.79 55.73 2wrk n ASP 121 Cb 0.62 -0.30 0.22 0.00 -1.03 0.00 0.00 41.12 40.62 2wrk n ASP 121 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wrk n ARG 122 N -1.85 -0.07 0.18 0.11 1.74 -1.26 -0.95 116.66 114.56 2wrk n ARG 122 Ca 0.00 1.34 -0.11 0.00 -0.77 0.00 0.00 57.85 58.31 2wrk n ARG 122 Cb 0.00 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.46 29.30 2wrk n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2wrk h GLU 123 N 0.00 -0.59 0.00 5.56 5.08 -1.84 -1.91 114.58 120.88 2wrk h GLU 123 Ca 0.50 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2wrk h GLU 123 Cb 0.95 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wrk h GLU 123 CO -0.85 -0.40 0.00 0.00 -1.00 0.00 0.00 179.01 176.76 2wrk n ALA 124 N -2.59 1.56 0.09 3.43 0.00 -0.57 -0.82 120.51 121.60 2wrk n ALA 124 Ca -0.07 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 2wrk n ALA 124 Cb 0.28 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 2wrk n ALA 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrk h ARG 125 N 0.00 0.00 0.00 0.00 2.43 -0.81 -1.63 114.38 114.37 2wrk h ARG 125 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2wrk h ARG 125 Cb 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2wrk h ARG 125 CO 0.00 0.85 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.73 2wrk h LYS 126 N 0.00 0.00 -0.03 0.20 3.64 -0.16 -3.09 116.57 117.13 2wrk h LYS 126 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wrk h LYS 126 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2wrk h LYS 126 CO 0.11 0.36 0.00 1.28 -2.27 0.00 0.00 179.45 178.93 2wrk n LEU 127 N -3.27 2.27 -3.06 5.20 7.99 -0.97 -4.96 117.00 120.21 2wrk n LEU 127 Ca 0.02 -0.76 -0.18 0.00 -0.01 0.00 0.00 56.01 55.08 2wrk n LEU 127 Cb 0.62 -0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.99 2wrk n LEU 127 CO 0.38 0.38 0.16 0.61 -1.51 0.00 0.00 177.39 177.41 2wrk n GLY 128 N 1.27 -0.27 3.18 -0.72 0.00 -1.05 -5.02 105.19 102.58 2wrk n GLY 128 Ca 0.16 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wrk n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wrk s VAL 129 N -3.28 0.77 0.31 1.61 -7.23 -0.64 -4.90 120.40 107.04 2wrk s VAL 129 Ca 0.29 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2wrk s VAL 129 Cb -0.13 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2wrk s VAL 129 CO 0.61 -0.81 0.13 -0.83 -0.31 0.00 0.00 175.10 173.88 2wrk s GLY 130 N -2.95 2.04 0.00 2.32 0.00 -1.26 -4.22 107.32 103.24 2wrk s GLY 130 Ca 0.11 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2wrk s GLY 130 CO -0.03 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.03 2wrk n GLY 131 N -0.60 0.81 3.73 0.20 0.00 -0.65 -4.52 105.19 104.16 2wrk n GLY 131 Ca -0.01 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2wrk n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrk s GLU 132 N 1.13 4.54 -0.11 1.61 2.12 0.20 -1.36 118.70 126.84 2wrk s GLU 132 Ca 0.00 1.70 -0.23 0.00 0.36 0.00 0.00 54.97 56.80 2wrk s GLU 132 Cb 0.00 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2wrk s GLU 132 CO 0.00 -0.03 0.69 -1.17 -0.54 0.00 0.00 175.26 174.21 2wrk s LEU 133 N 0.20 4.25 -0.17 2.70 0.20 -0.87 0.39 118.68 125.38 2wrk s LEU 133 Ca 0.52 1.09 -0.14 0.00 0.69 0.00 0.00 54.13 56.29 2wrk s LEU 133 Cb -0.28 -3.04 -0.22 0.00 -0.43 0.00 0.00 46.19 42.21 2wrk s LEU 133 CO 0.32 -0.19 0.26 -0.38 -0.29 0.00 0.00 176.35 176.08 2wrk n ILE 134 N 4.12 1.65 -2.78 6.68 2.08 -1.04 -3.04 119.36 127.03 2wrk n ILE 134 Ca -0.01 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.96 2wrk n ILE 134 Cb 0.51 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 2wrk n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrk s GLU 136 N 1.09 0.92 -0.05 0.00 -1.05 -1.11 -3.51 118.70 114.98 2wrk s GLU 136 Ca 0.00 0.09 -0.03 0.00 -0.15 0.00 0.00 54.97 54.88 2wrk s GLU 136 Cb 0.00 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2wrk s GLU 136 CO 0.00 -0.28 0.12 0.08 0.95 0.00 0.00 175.26 176.13 2wrk s VAL 137 N -1.24 -0.02 0.00 1.83 1.01 -0.54 -2.77 120.40 118.68 2wrk s VAL 137 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2wrk s VAL 137 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2wrk s VAL 137 CO 0.08 0.03 0.00 -2.67 0.00 0.00 0.00 175.10 172.54