#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s ARG 3 N 0.00 3.89 -0.42 0.54 3.52 -1.26 -5.05 118.95 120.17 2wdn s ARG 3 Ca 0.00 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 2wdn s ARG 3 Cb 0.00 -2.74 0.15 0.00 -1.56 0.00 0.00 34.95 30.80 2wdn s ARG 3 CO 0.00 0.37 0.29 0.00 -0.81 0.00 0.00 175.30 175.15 2wdn s ALA 4 N -1.69 1.60 0.67 6.12 0.00 -1.26 -5.11 121.76 122.09 2wdn s ALA 4 Ca 0.44 -2.40 -0.17 0.00 0.00 0.00 0.00 51.96 49.83 2wdn s ALA 4 Cb -0.13 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.30 2wdn s ALA 4 CO 0.20 -2.05 1.21 -1.59 0.00 0.00 0.00 175.76 173.54 2wdn s LYS 5 N 0.32 2.51 0.04 0.00 -2.85 -1.26 -4.93 119.74 113.57 2wdn s LYS 5 Ca 0.24 1.79 -0.09 0.00 -1.00 0.00 0.00 55.97 56.92 2wdn s LYS 5 Cb -0.11 -1.87 -0.03 0.00 -2.06 0.00 0.00 37.83 33.76 2wdn s LYS 5 CO -0.09 -1.56 1.15 1.15 0.10 0.00 0.00 175.35 176.10 2wdn h THR 6 N 0.22 0.00 0.00 3.79 2.02 -2.04 -3.46 112.91 113.44 2wdn h THR 6 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2wdn h THR 6 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2wdn h THR 6 CO 0.52 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.02 2wdn n GLY 7 N -1.09 0.72 0.16 2.16 0.00 -1.26 -3.96 105.19 101.92 2wdn n GLY 7 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2wdn n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wdn h VAL 8 N 0.00 0.74 0.00 1.61 2.07 -2.03 -3.37 116.25 115.27 2wdn h VAL 8 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wdn h VAL 8 Cb 0.00 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2wdn h VAL 8 CO 0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 2wdn n VAL 9 N -5.24 0.00 -0.07 2.57 0.31 -1.25 -1.58 118.33 113.07 2wdn n VAL 9 Ca -0.08 0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 2wdn n VAL 9 Cb 0.16 -0.15 -0.01 0.00 -0.91 0.00 0.00 33.84 32.93 2wdn n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdn h ARG 10 N 0.00 -0.05 -0.99 5.55 2.43 -1.84 -1.52 114.38 117.96 2wdn h ARG 10 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2wdn h ARG 10 Cb 0.00 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.48 2wdn h ARG 10 CO 0.00 -0.03 0.62 -0.09 -1.51 0.00 0.00 179.97 178.96 2wdn h ARG 11 N -0.05 0.96 -0.07 0.20 2.43 -1.52 -2.09 114.38 114.23 2wdn h ARG 11 Ca 0.14 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2wdn h ARG 11 Cb 0.26 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wdn h ARG 11 CO -0.32 0.63 0.04 0.00 -1.51 0.00 0.00 179.97 178.81 2wdn h ARG 12 N 0.98 0.11 -0.00 0.20 3.08 -1.01 -0.26 114.38 117.48 2wdn h ARG 12 Ca 0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2wdn h ARG 12 Cb 0.47 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2wdn h ARG 12 CO -0.26 0.19 0.00 0.87 -1.07 0.00 0.00 179.97 179.70 2wdn h LYS 13 N -0.00 0.00 0.17 0.04 1.79 -1.07 -2.60 116.57 114.90 2wdn h LYS 13 Ca 0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2wdn h LYS 13 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2wdn h LYS 13 CO -0.00 0.00 -0.08 0.45 -1.08 0.00 0.00 179.45 178.74 2wdn h HIS 14 N 0.00 -0.21 -0.08 -1.35 3.86 -0.74 -3.14 115.15 113.49 2wdn h HIS 14 Ca 0.00 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2wdn h HIS 14 Cb 0.00 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2wdn h HIS 14 CO 0.00 0.16 0.07 1.57 0.86 0.00 0.00 177.93 180.59 2wdn h LYS 15 N -0.95 0.00 -0.33 2.45 -0.00 -1.04 -1.54 116.57 115.16 2wdn h LYS 15 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.67 2wdn h LYS 15 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.65 2wdn h LYS 15 CO 0.04 0.00 0.10 -0.22 -0.00 0.00 0.00 179.45 179.36 2wdn h LYS 16 N 0.00 0.22 -0.04 0.07 3.64 -1.50 0.16 116.57 119.12 2wdn h LYS 16 Ca 0.04 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 2wdn h LYS 16 Cb 0.19 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2wdn h LYS 16 CO -0.00 0.15 -0.65 0.82 -2.27 0.00 0.00 179.45 177.50 2wdn h ILE 17 N 0.23 1.38 -0.94 2.00 1.08 -1.27 -3.15 117.51 116.84 2wdn h ILE 17 Ca 0.15 -2.03 0.14 0.00 -0.39 0.00 0.00 64.86 62.73 2wdn h ILE 17 Cb 0.14 2.43 -0.08 0.00 -3.07 0.00 0.00 36.82 36.24 2wdn h ILE 17 CO -0.17 0.60 0.60 -0.07 -0.69 0.00 0.00 178.15 178.42 2wdn h LEU 18 N 0.06 0.77 -1.19 1.44 3.38 -1.06 0.37 115.31 119.08 2wdn h LEU 18 Ca -0.07 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wdn h LEU 18 Cb 1.33 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2wdn h LEU 18 CO 0.13 0.39 0.55 0.50 0.09 0.00 0.00 178.44 180.10 2wdn h LYS 19 N 0.82 1.07 0.00 1.13 3.64 -0.66 0.74 116.57 123.31 2wdn h LYS 19 Ca 0.48 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 2wdn h LYS 19 Cb 0.64 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2wdn h LYS 19 CO -0.24 0.71 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.48 2wdn h LEU 20 N 1.10 0.00 0.00 5.20 -0.00 -0.27 -2.88 115.31 118.46 2wdn h LEU 20 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 2wdn h LEU 20 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2wdn h LEU 20 CO -0.08 0.10 -0.62 0.00 -0.00 0.00 0.00 178.44 177.84 2wdn n ALA 21 N -2.21 3.23 -1.73 1.53 0.00 0.21 -4.93 120.51 116.63 2wdn n ALA 21 Ca -0.01 -0.31 -0.66 0.00 0.00 0.00 0.00 53.44 52.46 2wdn n ALA 21 Cb 0.26 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 2wdn n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdn n LYS 22 N -1.84 0.17 0.00 0.00 4.76 -0.96 -0.98 118.16 119.32 2wdn n LYS 22 Ca 0.04 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2wdn n LYS 22 Cb 0.40 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2wdn n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdn n GLY 23 N 3.90 1.08 3.75 0.72 0.00 -1.26 -5.10 105.19 108.28 2wdn n GLY 23 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 2wdn n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdn s TYR 24 N -1.45 2.39 0.34 1.61 4.12 -0.15 -4.99 117.35 119.22 2wdn s TYR 24 Ca 0.00 1.60 -0.28 0.00 0.02 0.00 0.00 57.07 58.41 2wdn s TYR 24 Cb 0.00 -3.16 -0.09 0.00 -1.52 0.00 0.00 41.96 37.18 2wdn s TYR 24 CO 0.00 -2.01 1.19 -0.46 0.02 0.00 0.00 175.55 174.29 2wdn s TRP 25 N -2.64 3.22 0.00 2.71 -0.11 -1.26 -4.31 118.94 116.55 2wdn s TRP 25 Ca 0.65 1.56 0.00 0.00 1.22 0.00 0.00 56.10 59.52 2wdn s TRP 25 Cb -0.20 -3.45 0.00 0.00 -1.50 0.00 0.00 33.47 28.32 2wdn s TRP 25 CO 0.52 -1.25 0.00 0.41 -4.62 0.00 0.00 176.95 172.01 2wdn n GLY 26 N 0.85 1.63 0.22 5.86 0.00 -1.26 -0.94 105.19 111.54 2wdn n GLY 26 Ca 0.01 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.38 2wdn n GLY 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdn h LEU 27 N 0.00 0.00 0.00 0.99 3.38 -1.99 -3.02 115.31 114.67 2wdn h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdn h LEU 27 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wdn h LEU 27 CO 0.00 0.24 0.10 0.54 0.09 0.00 0.00 178.44 179.41 2wdn n ARG 28 N -4.05 0.00 0.00 1.13 1.74 -0.12 -0.59 116.66 114.78 2wdn n ARG 28 Ca -0.02 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2wdn n ARG 28 Cb 0.31 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2wdn n ARG 28 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wdn n SER 29 N -1.36 0.75 -0.09 0.55 3.41 -1.14 -3.45 113.62 112.29 2wdn n SER 29 Ca 0.00 -1.06 -0.15 0.00 -0.26 0.00 0.00 58.87 57.39 2wdn n SER 29 Cb 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2wdn n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdn n LYS 30 N -0.03 0.41 -2.55 4.33 4.76 0.25 -4.74 118.16 120.58 2wdn n LYS 30 Ca 0.00 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.14 2wdn n LYS 30 Cb 0.10 -1.25 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 2wdn n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wdn s SER 31 N -6.11 6.95 0.00 4.39 0.15 -0.16 -4.90 113.70 114.02 2wdn s SER 31 Ca -0.24 1.36 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2wdn s SER 31 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2wdn s SER 31 CO 0.36 -0.81 0.03 2.22 1.20 0.00 0.00 173.24 176.25 2wdn n PHE 32 N 6.73 0.00 -2.41 3.44 -1.74 -1.26 -1.28 117.46 120.93 2wdn n PHE 32 Ca 0.13 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 57.00 2wdn n PHE 32 Cb 0.46 -0.01 0.05 0.00 1.52 0.00 0.00 39.48 41.51 2wdn n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wdn n ARG 33 N 0.37 0.68 0.00 3.97 1.85 -1.26 -4.62 116.66 117.64 2wdn n ARG 33 Ca 0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 57.85 56.07 2wdn n ARG 33 Cb 0.01 0.35 0.00 0.00 -1.05 0.00 0.00 32.46 31.77 2wdn n ARG 33 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wdn n LYS 34 N -0.77 0.80 0.04 2.89 4.76 -0.41 -4.40 118.16 121.06 2wdn n LYS 34 Ca -0.14 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 2wdn n LYS 34 Cb 0.70 -0.60 0.02 0.00 -1.84 0.00 0.00 35.03 33.30 2wdn n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdn h ALA 35 N 0.00 0.56 0.62 7.82 0.00 -1.34 0.32 119.26 127.24 2wdn h ALA 35 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2wdn h ALA 35 Cb 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2wdn h ALA 35 CO 0.00 0.74 -0.30 -0.09 0.00 0.00 0.00 179.25 179.60 2wdn h ARG 36 N 0.33 -0.81 -0.80 0.00 2.43 -1.79 0.87 114.38 114.61 2wdn h ARG 36 Ca -0.03 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.38 2wdn h ARG 36 Cb 1.30 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 30.90 2wdn h ARG 36 CO 0.13 -0.54 0.07 0.93 -1.51 0.00 0.00 179.97 179.05 2wdn h GLU 37 N -0.99 0.13 -0.15 0.20 5.08 -1.75 0.54 114.58 117.65 2wdn h GLU 37 Ca -0.09 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2wdn h GLU 37 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2wdn h GLU 37 CO 0.14 0.09 -0.11 1.15 -1.00 0.00 0.00 179.01 179.28 2wdn h THR 38 N 0.14 1.33 -0.34 1.13 2.02 -0.25 -2.89 112.91 114.05 2wdn h THR 38 Ca 0.45 -1.22 0.10 0.00 0.77 0.00 0.00 66.41 66.51 2wdn h THR 38 Cb 0.83 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2wdn h THR 38 CO -0.66 0.36 0.25 -0.07 0.37 0.00 0.00 175.52 175.76 2wdn h LEU 39 N -0.01 0.00 0.00 2.58 3.38 0.22 -1.85 115.31 119.63 2wdn h LEU 39 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wdn h LEU 39 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2wdn h LEU 39 CO 0.03 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.05 2wdn n PHE 40 N -4.40 0.00 -0.18 1.13 0.99 0.04 -0.84 117.46 114.20 2wdn n PHE 40 Ca 0.05 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.77 2wdn n PHE 40 Cb 0.42 -0.39 0.69 0.00 -1.00 0.00 0.00 39.48 39.21 2wdn n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdn h ALA 41 N -1.95 2.74 -0.48 4.37 0.00 -1.51 0.39 119.26 122.82 2wdn h ALA 41 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wdn h ALA 41 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wdn h ALA 41 CO 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 179.25 178.08 2wdn h ALA 42 N 1.57 0.77 -0.26 0.00 0.00 -1.14 -1.68 119.26 118.52 2wdn h ALA 42 Ca 0.43 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2wdn h ALA 42 Cb 1.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2wdn h ALA 42 CO -0.03 0.66 -0.38 0.78 0.00 0.00 0.00 179.25 180.27 2wdn h GLY 43 N 0.92 0.65 2.00 0.00 0.00 0.11 -2.42 103.07 104.33 2wdn h GLY 43 Ca 0.12 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 2wdn h GLY 43 CO 0.06 0.58 -0.55 3.43 0.00 0.00 0.00 176.54 180.06 2wdn h ASN 44 N 0.50 0.00 0.42 0.19 2.35 -1.29 -2.66 115.58 115.09 2wdn h ASN 44 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2wdn h ASN 44 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2wdn h ASN 44 CO 0.08 0.55 -0.20 1.88 -1.65 0.00 0.00 177.43 178.08 2wdn h TYR 45 N 0.00 -0.53 -0.95 1.19 0.99 -1.18 -1.43 116.97 115.06 2wdn h TYR 45 Ca -0.01 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.85 2wdn h TYR 45 Cb 1.08 0.17 -0.15 0.00 1.00 0.00 0.00 36.73 38.83 2wdn h TYR 45 CO 0.00 -0.20 -0.40 0.00 -0.00 0.00 0.00 178.16 177.56 2wdn h ALA 46 N -0.58 0.07 0.56 3.88 0.00 -1.39 0.64 119.26 122.44 2wdn h ALA 46 Ca -0.06 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2wdn h ALA 46 Cb 0.56 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2wdn h ALA 46 CO 0.10 -0.66 -0.32 -0.92 0.00 0.00 0.00 179.25 177.44 2wdn h TYR 47 N -0.02 -0.84 -0.17 0.00 3.20 -1.42 0.13 116.97 117.85 2wdn h TYR 47 Ca 0.32 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.22 2wdn h TYR 47 Cb 0.58 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2wdn h TYR 47 CO -0.86 -0.50 0.13 0.00 -1.64 0.00 0.00 178.16 175.29 2wdn h ALA 48 N -0.42 2.11 0.15 1.82 0.00 -0.09 -2.91 119.26 119.92 2wdn h ALA 48 Ca -0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2wdn h ALA 48 Cb 0.66 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.48 2wdn h ALA 48 CO 0.08 -0.21 -0.87 0.45 0.00 0.00 0.00 179.25 178.70 2wdn h HIS 49 N 0.00 0.58 -0.98 0.00 3.86 0.73 -2.84 115.15 116.51 2wdn h HIS 49 Ca 0.08 -0.42 0.22 0.00 -1.16 0.00 0.00 60.37 59.08 2wdn h HIS 49 Cb 0.33 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.69 2wdn h HIS 49 CO 0.00 1.33 0.62 0.00 0.86 0.00 0.00 177.93 180.75 2wdn h ARG 50 N -0.33 0.51 -0.11 2.45 3.08 -0.55 0.78 114.38 120.22 2wdn h ARG 50 Ca -0.15 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2wdn h ARG 50 Cb 1.69 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 2wdn h ARG 50 CO 0.16 0.34 0.06 0.87 -1.07 0.00 0.00 179.97 180.33 2wdn h LYS 51 N 0.53 0.15 -0.75 0.04 1.79 -1.57 -3.00 116.57 113.76 2wdn h LYS 51 Ca 0.54 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 59.06 2wdn h LYS 51 Cb 1.17 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.73 2wdn h LYS 51 CO -0.28 0.18 0.43 0.00 -1.08 0.00 0.00 179.45 178.70 2wdn h ARG 52 N 0.08 0.74 -0.59 3.15 2.47 0.63 -2.90 114.38 117.95 2wdn h ARG 52 Ca 0.04 -0.04 0.12 0.00 -1.26 0.00 0.00 59.98 58.83 2wdn h ARG 52 Cb 0.08 -0.17 -0.09 0.00 -1.65 0.00 0.00 29.97 28.14 2wdn h ARG 52 CO -0.01 0.49 0.08 -0.09 0.56 0.00 0.00 179.97 181.01 2wdn h ARG 53 N 0.76 0.20 -0.84 0.04 2.43 -0.33 1.06 114.38 117.70 2wdn h ARG 53 Ca 0.34 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.68 2wdn h ARG 53 Cb 0.24 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2wdn h ARG 53 CO -0.20 0.13 0.56 0.87 -1.51 0.00 0.00 179.97 179.82 2wdn h LYS 54 N 0.21 0.37 -0.01 0.20 1.79 -1.52 -1.84 116.57 115.76 2wdn h LYS 54 Ca 0.31 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2wdn h LYS 54 Cb 0.48 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2wdn h LYS 54 CO -0.43 0.24 -0.01 2.89 -1.08 0.00 0.00 179.45 181.06 2wdn n ARG 55 N -4.48 0.61 0.12 3.15 1.85 0.03 -3.38 116.66 114.55 2wdn n ARG 55 Ca 0.17 -1.15 0.05 0.00 -1.00 0.00 0.00 57.85 55.92 2wdn n ARG 55 Cb 0.65 -1.21 0.02 0.00 -1.05 0.00 0.00 32.46 30.86 2wdn n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wdn h ASP 56 N 2.17 0.00 0.28 2.89 3.32 0.19 -3.27 116.42 122.00 2wdn h ASP 56 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2wdn h ASP 56 Cb 0.46 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2wdn h ASP 56 CO 0.00 0.36 -1.92 0.49 -1.72 0.00 0.00 179.24 176.45 2wdn n PHE 57 N -3.04 0.96 -0.33 4.55 0.99 -0.94 -3.32 117.46 116.34 2wdn n PHE 57 Ca -0.01 0.27 0.24 0.00 -0.00 0.00 0.00 57.45 57.95 2wdn n PHE 57 Cb 0.70 -1.15 0.47 0.00 -1.00 0.00 0.00 39.48 38.49 2wdn n PHE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdn h ARG 58 N 0.03 0.20 -0.04 -1.08 3.08 -1.60 0.97 114.38 115.94 2wdn h ARG 58 Ca -0.38 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 2wdn h ARG 58 Cb 2.04 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.04 2wdn h ARG 58 CO 0.07 0.14 -0.14 0.00 -1.07 0.00 0.00 179.97 178.97 2wdn h ARG 59 N 0.21 0.16 -0.81 0.04 3.08 -1.66 -2.92 114.38 112.48 2wdn h ARG 59 Ca 0.73 -0.12 0.15 0.00 0.07 0.00 0.00 59.98 60.81 2wdn h ARG 59 Cb 1.71 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 31.69 2wdn h ARG 59 CO -0.67 0.75 0.38 1.25 -1.07 0.00 0.00 179.97 180.62 2wdn h LEU 60 N -0.40 0.43 0.68 3.04 7.12 -0.82 -1.51 115.31 123.85 2wdn h LEU 60 Ca -0.01 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.07 2wdn h LEU 60 Cb 0.77 0.04 0.01 0.00 -0.53 0.00 0.00 40.66 40.95 2wdn h LEU 60 CO 0.03 0.17 -0.33 -0.50 -0.13 0.00 0.00 178.44 177.68 2wdn h TRP 61 N 0.54 -0.84 -1.00 1.25 6.55 -1.50 -0.57 115.95 120.38 2wdn h TRP 61 Ca 0.45 -0.02 0.13 0.00 0.95 0.00 0.00 58.89 60.40 2wdn h TRP 61 Cb 0.66 0.28 -0.15 0.00 -0.86 0.00 0.00 29.16 29.09 2wdn h TRP 61 CO -0.12 -0.49 -0.46 0.82 -1.05 0.00 0.00 178.44 177.13 2wdn h ILE 62 N -1.13 0.00 -0.29 1.49 1.08 -1.24 0.94 117.51 118.36 2wdn h ILE 62 Ca -0.09 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2wdn h ILE 62 Cb 0.73 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 2wdn h ILE 62 CO 0.15 0.00 0.18 0.58 -0.69 0.00 0.00 178.15 178.37 2wdn h VAL 63 N -0.00 1.05 -0.65 1.67 2.07 -1.23 0.64 116.25 119.80 2wdn h VAL 63 Ca 0.28 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.73 2wdn h VAL 63 Cb 0.53 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2wdn h VAL 63 CO -0.97 0.07 0.37 -0.09 0.02 0.00 0.00 177.57 176.96 2wdn h ARG 64 N 0.37 0.67 0.28 1.57 9.65 0.13 0.34 114.38 127.39 2wdn h ARG 64 Ca 0.11 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2wdn h ARG 64 Cb -0.02 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.41 2wdn h ARG 64 CO -0.04 0.44 -0.13 0.82 2.80 0.00 0.00 179.97 183.86 2wdn h ILE 65 N 0.69 0.00 0.00 1.20 2.04 0.14 -0.16 117.51 121.41 2wdn h ILE 65 Ca 0.29 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.09 2wdn h ILE 65 Cb 0.15 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2wdn h ILE 65 CO -0.17 0.00 0.61 -1.13 0.00 0.00 0.00 178.15 177.47 2wdn h ASN 66 N -0.42 0.00 0.00 1.72 -1.24 0.41 0.38 115.58 116.43 2wdn h ASN 66 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2wdn h ASN 66 Cb 0.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2wdn h ASN 66 CO 0.06 0.00 -0.04 0.00 -1.29 0.00 0.00 177.43 176.17 2wdn h ALA 67 N 0.77 0.00 -0.62 1.57 0.00 -0.01 -3.14 119.26 117.82 2wdn h ALA 67 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2wdn h ALA 67 Cb 1.23 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2wdn h ALA 67 CO 0.00 0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.51 2wdn h ALA 68 N -1.63 0.80 0.00 0.00 0.00 0.10 -1.80 119.26 116.73 2wdn h ALA 68 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wdn h ALA 68 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wdn h ALA 68 CO 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2wdn n ARG 70 N -2.85 0.26 0.09 0.00 0.63 -0.69 -1.98 116.66 112.11 2wdn n ARG 70 Ca 0.03 0.05 0.13 0.00 -0.92 0.00 0.00 57.85 57.15 2wdn n ARG 70 Cb 0.42 -1.50 0.42 0.00 0.45 0.00 0.00 32.46 32.25 2wdn n ARG 70 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2wdn n GLN 71 N -1.34 0.23 -0.99 -0.14 7.27 -0.80 -3.12 117.38 118.49 2wdn n GLN 71 Ca 0.10 0.18 -0.10 0.00 0.07 0.00 0.00 57.00 57.25 2wdn n GLN 71 Cb 0.23 -1.76 0.18 0.00 2.41 0.00 0.00 30.24 31.30 2wdn n GLN 71 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2wdn n HIS 72 N -2.15 1.58 0.00 3.69 8.25 -0.84 -4.97 115.22 120.78 2wdn n HIS 72 Ca 0.06 -1.77 0.00 0.00 -0.26 0.00 0.00 57.72 55.74 2wdn n HIS 72 Cb 0.42 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.93 2wdn n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdn n GLY 73 N -1.09 1.52 3.88 -1.41 0.00 -1.18 -4.99 105.19 101.93 2wdn n GLY 73 Ca 0.39 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2wdn n GLY 73 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wdn s LEU 74 N 0.00 3.55 0.36 0.99 0.05 -1.24 -4.94 118.68 117.44 2wdn s LEU 74 Ca 0.00 1.20 0.06 0.00 0.05 0.00 0.00 54.13 55.45 2wdn s LEU 74 Cb 0.00 -4.17 -0.00 0.00 -2.05 0.00 0.00 46.19 39.96 2wdn s LEU 74 CO 0.00 -0.63 0.51 0.54 -0.55 0.00 0.00 176.35 176.22 2wdn s ASN 75 N -3.80 5.89 0.12 1.48 2.20 -1.26 -2.83 114.94 116.76 2wdn s ASN 75 Ca 0.52 -0.20 -0.28 0.00 -0.94 0.00 0.00 52.86 51.96 2wdn s ASN 75 Cb -0.10 -1.14 -0.06 0.00 -2.00 0.00 0.00 41.25 37.95 2wdn s ASN 75 CO 0.43 -0.52 1.60 0.22 -2.94 0.00 0.00 177.10 175.89 2wdn h TYR 76 N 0.80 -1.00 0.00 1.54 3.20 -1.91 -0.70 116.97 118.91 2wdn h TYR 76 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2wdn h TYR 76 Cb 1.26 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.97 2wdn h TYR 76 CO 0.42 -0.45 0.00 0.43 -1.64 0.00 0.00 178.16 176.92 2wdn n SER 77 N -5.43 0.00 -0.10 -2.11 7.64 -1.26 -0.84 113.62 111.53 2wdn n SER 77 Ca -0.05 0.53 -0.06 0.00 1.01 0.00 0.00 58.87 60.30 2wdn n SER 77 Cb 0.34 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2wdn n SER 77 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2wdn h THR 78 N 0.00 0.65 -0.76 0.44 1.35 -1.97 -2.74 112.91 109.87 2wdn h THR 78 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 2wdn h THR 78 Cb 0.00 0.65 -0.09 0.00 -1.73 0.00 0.00 68.15 66.97 2wdn h THR 78 CO 0.00 0.00 -0.47 0.15 -0.25 0.00 0.00 175.52 174.95 2wdn h PHE 79 N -0.01 -1.50 -0.16 4.73 -0.00 -0.07 0.48 116.94 120.42 2wdn h PHE 79 Ca 0.16 0.10 0.05 0.00 -0.00 0.00 0.00 57.97 58.28 2wdn h PHE 79 Cb 0.26 0.75 -0.06 0.00 -0.00 0.00 0.00 35.95 36.91 2wdn h PHE 79 CO -0.32 -0.30 -0.20 0.82 -0.00 0.00 0.00 178.31 178.31 2wdn h ILE 80 N -0.02 0.48 -0.68 1.41 1.08 -0.81 -0.49 117.51 118.48 2wdn h ILE 80 Ca 0.12 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.74 2wdn h ILE 80 Cb 0.33 0.48 -0.11 0.00 -3.07 0.00 0.00 36.82 34.45 2wdn h ILE 80 CO -0.73 0.00 0.04 -0.74 -0.69 0.00 0.00 178.15 176.03 2wdn h HIS 81 N -0.25 0.02 -0.62 1.37 -0.00 -0.82 0.69 115.15 115.54 2wdn h HIS 81 Ca 0.11 0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.63 2wdn h HIS 81 Cb 0.41 0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 27.84 2wdn h HIS 81 CO -0.32 -0.17 0.23 0.78 -0.00 0.00 0.00 177.93 178.44 2wdn h GLY 82 N 0.14 0.88 1.88 5.26 0.00 0.14 0.63 103.07 112.00 2wdn h GLY 82 Ca 0.37 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.47 2wdn h GLY 82 CO -0.57 -0.03 -0.47 1.41 0.00 0.00 0.00 176.54 176.88 2wdn h LEU 83 N 0.41 0.14 0.56 3.11 4.07 0.70 1.07 115.31 125.36 2wdn h LEU 83 Ca 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 2wdn h LEU 83 Cb 0.41 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 42.11 2wdn h LEU 83 CO -0.32 0.59 -0.27 0.50 -1.08 0.00 0.00 178.44 177.86 2wdn h LYS 84 N 0.11 -0.72 -0.04 1.13 1.63 0.32 -0.48 116.57 118.51 2wdn h LYS 84 Ca 0.00 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2wdn h LYS 84 Cb 0.87 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2wdn h LYS 84 CO 0.07 -0.46 0.02 -0.22 -3.45 0.00 0.00 179.45 175.41 2wdn h LYS 85 N -0.80 0.05 0.00 1.90 1.63 0.33 -0.91 116.57 118.77 2wdn h LYS 85 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2wdn h LYS 85 Cb 0.60 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2wdn h LYS 85 CO 0.13 0.09 0.16 0.00 -3.45 0.00 0.00 179.45 176.37 2wdn n ALA 86 N -2.13 0.72 -1.21 5.00 0.00 0.37 -4.75 120.51 118.52 2wdn n ALA 86 Ca -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 2wdn n ALA 86 Cb 0.06 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2wdn n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdn n GLY 87 N -1.34 0.87 3.06 0.00 0.00 -0.35 -4.92 105.19 102.51 2wdn n GLY 87 Ca -0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2wdn n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wdn n ILE 88 N -2.60 5.14 0.64 -0.61 -5.35 -0.29 -4.81 119.36 111.47 2wdn n ILE 88 Ca -0.07 -5.73 0.00 0.00 -0.27 0.00 0.00 62.75 56.68 2wdn n ILE 88 Cb 0.33 -2.19 0.00 0.00 -1.74 0.00 0.00 39.64 36.04 2wdn n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2wdn n GLU 89 N 1.78 0.77 0.00 6.28 0.28 -1.26 -4.42 120.64 124.07 2wdn n GLU 89 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 2wdn n GLU 89 Cb 0.34 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.10 2wdn n GLU 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wdn n VAL 90 N 0.73 0.00 0.00 3.84 0.31 -1.26 -4.66 118.33 117.29 2wdn n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdn n VAL 90 Cb 0.39 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 2wdn n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdn n ASP 91 N 0.00 0.00 -2.89 4.52 4.64 -1.26 -4.67 116.55 116.89 2wdn n ASP 91 Ca 0.00 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.40 2wdn n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wdn n ASP 91 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2wdn n ARG 92 N 0.00 -2.44 0.00 -0.67 3.00 -1.26 -2.86 116.66 112.43 2wdn n ARG 92 Ca 0.00 2.12 0.00 0.00 -0.01 0.00 0.00 57.85 59.96 2wdn n ARG 92 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 32.46 28.49 2wdn n ARG 92 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wdn n LYS 93 N 0.84 0.00 -0.13 5.56 4.01 -1.26 0.16 118.16 127.34 2wdn n LYS 93 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 2wdn n LYS 93 Cb 0.19 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 34.73 2wdn n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wdn h ASN 94 N 0.00 0.29 0.33 4.39 -1.24 -1.95 -2.47 115.58 114.92 2wdn h ASN 94 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2wdn h ASN 94 Cb 0.00 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2wdn h ASN 94 CO 0.00 0.21 -0.08 0.18 -1.29 0.00 0.00 177.43 176.45 2wdn n LEU 95 N -4.92 0.43 -2.43 0.34 4.77 0.42 -3.74 117.00 111.88 2wdn n LEU 95 Ca 0.02 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 2wdn n LEU 95 Cb 0.11 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2wdn n LEU 95 CO 0.30 0.08 1.57 0.00 -1.33 0.00 0.00 177.39 178.01 2wdn n ALA 96 N -0.93 6.40 1.02 -1.18 0.00 -0.93 -3.10 120.51 121.79 2wdn n ALA 96 Ca 0.16 -2.89 0.11 0.00 0.00 0.00 0.00 53.44 50.81 2wdn n ALA 96 Cb 0.26 -2.13 0.03 0.00 0.00 0.00 0.00 19.45 17.61 2wdn n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdn n ASP 97 N 0.99 1.13 -0.28 0.00 5.75 -1.24 -3.97 116.55 118.93 2wdn n ASP 97 Ca 0.48 -0.96 0.31 0.00 -0.01 0.00 0.00 54.79 54.61 2wdn n ASP 97 Cb 0.58 0.65 0.70 0.00 -1.03 0.00 0.00 41.12 42.03 2wdn n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wdn h LEU 98 N 0.66 0.08 -2.24 -2.12 3.38 -1.68 0.69 115.31 114.08 2wdn h LEU 98 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wdn h LEU 98 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wdn h LEU 98 CO 0.00 0.02 0.26 0.00 0.09 0.00 0.00 178.44 178.80 2wdn h ALA 99 N 1.48 1.29 0.00 1.53 0.00 -1.86 -2.69 119.26 119.02 2wdn h ALA 99 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2wdn h ALA 99 Cb 1.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2wdn h ALA 99 CO -0.05 -0.26 -0.05 0.28 0.00 0.00 0.00 179.25 179.16 2wdn n VAL 100 N -2.98 0.09 -2.99 0.00 0.31 0.24 -4.61 118.33 108.39 2wdn n VAL 100 Ca -0.02 0.39 -0.40 0.00 -0.01 0.00 0.00 64.34 64.30 2wdn n VAL 100 Cb 0.31 -1.45 -0.05 0.00 -0.91 0.00 0.00 33.84 31.74 2wdn n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wdn s ARG 101 N -1.11 4.48 -1.08 5.55 0.52 -1.05 -4.05 118.95 122.20 2wdn s ARG 101 Ca -0.02 1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 56.18 2wdn s ARG 101 Cb 0.00 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 32.09 2wdn s ARG 101 CO 0.02 0.21 0.93 0.39 0.02 0.00 0.00 175.30 176.87 2wdn n GLU 102 N 3.13 -6.23 0.03 3.54 -0.58 -1.25 -4.04 120.64 115.24 2wdn n GLU 102 Ca -0.02 0.70 0.02 0.00 -0.42 0.00 0.00 57.16 57.45 2wdn n GLU 102 Cb 0.51 -5.34 0.10 0.00 -0.57 0.00 0.00 31.44 26.13 2wdn n GLU 102 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2wdn n PRO 103 N -4.01 0.02 0.02 3.49 -0.04 -1.02 -1.29 135.00 132.18 2wdn n PRO 103 Ca -0.10 0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2wdn n PRO 103 Cb 0.59 -1.59 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 2wdn n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2wdn h GLN 104 N 0.00 -0.04 0.00 0.54 7.50 -1.90 0.17 115.11 121.39 2wdn h GLN 104 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2wdn h GLN 104 Cb 0.02 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2wdn h GLN 104 CO 0.00 -0.03 0.00 0.28 -1.50 0.00 0.00 178.83 177.58 2wdn n VAL 105 N -5.15 0.00 -0.28 -0.54 0.31 -0.41 -2.80 118.33 109.45 2wdn n VAL 105 Ca -0.05 1.42 -0.01 0.00 -0.01 0.00 0.00 64.34 65.68 2wdn n VAL 105 Cb 0.08 -2.28 0.03 0.00 -0.91 0.00 0.00 33.84 30.76 2wdn n VAL 105 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2wdn n PHE 106 N -1.99 0.02 -0.36 3.52 7.35 -1.16 0.43 117.46 125.26 2wdn n PHE 106 Ca 0.00 0.91 -0.01 0.00 -0.76 0.00 0.00 57.45 57.58 2wdn n PHE 106 Cb 0.00 -0.77 0.04 0.00 0.35 0.00 0.00 39.48 39.10 2wdn n PHE 106 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdn h ALA 107 N 1.01 0.17 0.00 3.13 0.00 -0.48 0.61 119.26 123.70 2wdn h ALA 107 Ca 0.26 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 2wdn h ALA 107 Cb 0.44 0.97 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2wdn h ALA 107 CO -0.73 -0.61 -0.39 0.93 0.00 0.00 0.00 179.25 178.44 2wdn h GLU 108 N -0.02 0.00 -0.01 0.00 5.08 0.09 -2.26 114.58 117.46 2wdn h GLU 108 Ca 0.34 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 2wdn h GLU 108 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2wdn h GLU 108 CO -0.96 0.39 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.05 2wdn h LEU 109 N 0.00 0.02 0.06 1.33 3.38 0.10 0.19 115.31 120.40 2wdn h LEU 109 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wdn h LEU 109 Cb 0.83 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wdn h LEU 109 CO 0.05 0.36 -0.03 0.58 0.09 0.00 0.00 178.44 179.49 2wdn h VAL 110 N 0.02 1.21 -0.41 1.22 2.07 -0.39 -1.60 116.25 118.37 2wdn h VAL 110 Ca 0.00 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.63 2wdn h VAL 110 Cb 0.60 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 2wdn h VAL 110 CO 0.04 0.24 -0.05 -0.33 0.02 0.00 0.00 177.57 177.49 2wdn h GLU 111 N -0.52 0.05 -0.96 1.57 4.39 -1.09 0.33 114.58 118.35 2wdn h GLU 111 Ca -0.01 -0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.90 2wdn h GLU 111 Cb 0.45 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 2wdn h GLU 111 CO 0.01 0.03 0.62 0.00 -1.16 0.00 0.00 179.01 178.52 2wdn h ARG 112 N 0.05 0.47 0.56 2.33 2.47 -0.50 0.28 114.38 120.03 2wdn h ARG 112 Ca 0.20 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 2wdn h ARG 112 Cb 0.30 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2wdn h ARG 112 CO -0.38 0.31 -0.27 0.00 0.56 0.00 0.00 179.97 180.19 2wdn h ALA 113 N 1.61 -0.75 0.00 0.04 0.00 0.63 -2.97 119.26 117.83 2wdn h ALA 113 Ca 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wdn h ALA 113 Cb 1.19 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2wdn h ALA 113 CO -0.24 -0.71 0.00 0.36 0.00 0.00 0.00 179.25 178.66 2wdn n LYS 114 N -5.28 0.02 0.02 0.00 0.00 -0.66 -2.22 118.16 110.05 2wdn n LYS 114 Ca -0.10 0.26 -0.11 0.00 -0.00 0.00 0.00 58.31 58.36 2wdn n LYS 114 Cb 0.31 -1.54 -0.06 0.00 -0.00 0.00 0.00 35.03 33.73 2wdn n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdn h ALA 115 N 2.50 0.06 0.00 0.58 0.00 -0.28 0.31 119.26 122.43 2wdn h ALA 115 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wdn h ALA 115 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wdn h ALA 115 CO 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.81 2wdn n ALA 116 N -2.11 2.21 -3.55 0.00 0.00 -0.94 -4.30 120.51 111.83 2wdn n ALA 116 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 2wdn n ALA 116 Cb 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2wdn n ALA 116 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wdn s GLN 117 N -0.49 0.42 0.00 0.00 -1.52 0.10 -4.91 119.66 113.25 2wdn s GLN 117 Ca 0.00 -0.92 0.31 0.00 -1.95 0.00 0.00 55.36 52.81 2wdn s GLN 117 Cb 0.00 -1.36 1.80 0.00 -0.22 0.00 0.00 33.01 33.23 2wdn s GLN 117 CO 0.00 -1.08 2.17 0.41 -0.25 0.00 0.00 175.29 176.53