#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm s THR 6 N 0.00 4.20 0.08 3.45 -1.32 -1.26 -4.89 115.64 115.90 2wdm s THR 6 Ca 0.00 0.84 -0.28 0.00 -1.21 0.00 0.00 61.69 61.04 2wdm s THR 6 Cb 0.00 -3.55 -0.17 0.00 -1.51 0.00 0.00 72.50 67.27 2wdm s THR 6 CO 0.00 -0.82 1.67 0.40 -2.21 0.00 0.00 174.62 173.66 2wdm h ILE 7 N -0.11 0.70 -1.04 5.08 1.08 -2.05 -1.12 117.51 120.04 2wdm h ILE 7 Ca -0.45 -0.04 0.27 0.00 -0.39 0.00 0.00 64.86 64.25 2wdm h ILE 7 Cb 1.20 0.72 -0.09 0.00 -3.07 0.00 0.00 36.82 35.58 2wdm h ILE 7 CO 0.59 0.01 0.67 -1.13 -0.69 0.00 0.00 178.15 177.59 2wdm h ASN 8 N -0.44 0.45 -0.30 1.72 -0.73 -1.99 0.90 115.58 115.19 2wdm h ASN 8 Ca -0.04 0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.14 2wdm h ASN 8 Cb 0.33 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 2wdm h ASN 8 CO 0.07 0.08 -0.11 1.56 -0.37 0.00 0.00 177.43 178.67 2wdm h GLN 9 N 0.39 0.61 -0.87 6.67 4.20 -1.78 -2.35 115.11 121.97 2wdm h GLN 9 Ca 0.60 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 2wdm h GLN 9 Cb 1.51 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.22 2wdm h GLN 9 CO -0.30 0.81 0.47 -0.07 -0.67 0.00 0.00 178.83 179.08 2wdm h LEU 10 N 0.37 1.10 -0.45 1.46 3.38 0.17 0.56 115.31 121.90 2wdm h LEU 10 Ca 0.07 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.01 2wdm h LEU 10 Cb 0.61 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2wdm h LEU 10 CO 0.04 0.89 0.08 0.58 0.09 0.00 0.00 178.44 180.11 2wdm h VAL 11 N 1.22 0.74 0.00 1.22 2.07 0.44 0.24 116.25 122.18 2wdm h VAL 11 Ca 0.31 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2wdm h VAL 11 Cb 0.04 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2wdm h VAL 11 CO -0.05 0.04 0.00 0.54 0.02 0.00 0.00 177.57 178.12 2wdm n ARG 12 N -5.12 0.00 -0.18 1.57 1.74 -0.77 -4.48 116.66 109.43 2wdm n ARG 12 Ca 0.04 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 2wdm n ARG 12 Cb 0.22 -0.18 0.04 0.00 -1.02 0.00 0.00 32.46 31.52 2wdm n ARG 12 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdm h LYS 13 N 0.00 -0.05 0.00 5.56 6.56 -1.05 -3.48 116.57 124.11 2wdm h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wdm h LYS 13 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2wdm h LYS 13 CO 0.00 -0.03 0.00 0.41 -2.06 0.00 0.00 179.45 177.77 2wdm n GLY 14 N -1.41 -2.38 3.88 3.86 0.00 0.85 -4.91 105.19 105.08 2wdm n GLY 14 Ca 0.05 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 2wdm n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdm s ARG 15 N -0.99 3.70 -0.16 1.61 1.81 -1.26 -4.90 118.95 118.76 2wdm s ARG 15 Ca 0.00 0.08 -0.08 0.00 -1.72 0.00 0.00 55.73 54.01 2wdm s ARG 15 Cb 0.00 -2.95 -0.04 0.00 -0.45 0.00 0.00 34.95 31.51 2wdm s ARG 15 CO 0.00 0.53 0.12 -2.00 -0.68 0.00 0.00 175.30 173.27 2wdm s GLU 16 N -2.15 3.83 0.39 3.54 2.12 -1.26 -5.08 118.70 120.08 2wdm s GLU 16 Ca 0.35 -0.21 -0.26 0.00 0.36 0.00 0.00 54.97 55.21 2wdm s GLU 16 Cb -0.13 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 2wdm s GLU 16 CO 0.20 0.49 1.19 0.21 -0.54 0.00 0.00 175.26 176.81 2wdm s LYS 17 N -0.21 4.09 -0.00 4.30 2.36 -1.26 -5.01 119.74 124.00 2wdm s LYS 17 Ca 0.10 1.90 -0.05 0.00 -2.55 0.00 0.00 55.97 55.38 2wdm s LYS 17 Cb -0.12 -2.73 -0.03 0.00 -1.05 0.00 0.00 37.83 33.90 2wdm s LYS 17 CO 0.01 -0.31 0.69 -0.39 1.55 0.00 0.00 175.35 176.90 2wdm h VAL 18 N 2.42 0.00 -3.47 4.02 -1.51 -2.08 -3.50 116.25 112.13 2wdm h VAL 18 Ca -0.49 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2wdm h VAL 18 Cb 1.23 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2wdm h VAL 18 CO 0.63 0.00 -0.72 -1.14 -1.23 0.00 0.00 177.57 175.11 2wdm n ARG 19 N -2.68 -4.19 -4.27 5.19 0.63 -1.26 -5.05 116.66 105.03 2wdm n ARG 19 Ca -0.02 3.09 -0.24 0.00 -0.92 0.00 0.00 57.85 59.75 2wdm n ARG 19 Cb 0.07 -3.20 -0.08 0.00 0.45 0.00 0.00 32.46 29.70 2wdm n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2wdm s LYS 20 N -1.36 2.29 0.05 -0.14 -2.85 -1.26 -5.12 119.74 111.35 2wdm s LYS 20 Ca 0.00 -1.31 -0.20 0.00 -1.00 0.00 0.00 55.97 53.46 2wdm s LYS 20 Cb 0.00 -2.21 -0.06 0.00 -2.06 0.00 0.00 37.83 33.50 2wdm s LYS 20 CO 0.00 0.40 0.58 0.15 0.10 0.00 0.00 175.35 176.58 2wdm s LYS 21 N -3.35 4.24 -0.99 1.78 3.01 -1.26 -4.97 119.74 118.19 2wdm s LYS 21 Ca 0.29 0.74 -0.24 0.00 -1.01 0.00 0.00 55.97 55.75 2wdm s LYS 21 Cb -0.08 -3.27 -0.10 0.00 -1.01 0.00 0.00 37.83 33.38 2wdm s LYS 21 CO 0.19 0.57 2.04 0.45 0.51 0.00 0.00 175.35 179.10 2wdm s SER 22 N -0.86 4.68 0.32 2.83 0.15 -1.26 -4.74 113.70 114.83 2wdm s SER 22 Ca 0.30 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2wdm s SER 22 Cb -0.19 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2wdm s SER 22 CO 0.19 -3.29 0.60 1.17 1.20 0.00 0.00 173.24 173.10 2wdm n LYS 23 N 8.59 0.01 -3.21 5.44 4.81 -1.26 -3.20 118.16 129.35 2wdm n LYS 23 Ca 0.43 0.47 -0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2wdm n LYS 23 Cb 0.46 -1.70 -0.03 0.00 0.02 0.00 0.00 35.03 33.79 2wdm n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wdm s VAL 24 N -2.59 -0.88 -1.51 3.15 1.01 -1.26 -5.01 120.40 113.30 2wdm s VAL 24 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 2wdm s VAL 24 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2wdm s VAL 24 CO 0.00 -0.07 2.62 -0.81 0.00 0.00 0.00 175.10 176.84 2wdm n PRO 25 N 5.40 3.63 0.00 2.72 -0.04 -1.19 -4.68 135.00 140.83 2wdm n PRO 25 Ca 0.01 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 2wdm n PRO 25 Cb 0.52 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2wdm n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdm n ALA 26 N 3.94 1.76 -1.14 0.55 0.00 -1.26 -4.85 120.51 119.51 2wdm n ALA 26 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2wdm n ALA 26 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wdm n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdm n LEU 27 N 0.32 -1.75 0.00 0.00 7.99 -1.26 -4.44 117.00 117.85 2wdm n LEU 27 Ca 0.00 2.18 0.00 0.00 -0.01 0.00 0.00 56.01 58.18 2wdm n LEU 27 Cb 0.14 -1.90 0.00 0.00 -0.11 0.00 0.00 43.42 41.55 2wdm n LEU 27 CO 0.00 0.13 0.00 0.29 -1.51 0.00 0.00 177.39 176.30 2wdm n LYS 28 N -1.21 -1.67 -0.72 3.23 5.02 -1.26 -0.22 118.16 121.34 2wdm n LYS 28 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2wdm n LYS 28 Cb 0.07 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 2wdm n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdm n GLY 29 N 0.29 0.02 3.63 0.72 0.00 -1.26 -4.81 105.19 103.77 2wdm n GLY 29 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 2wdm n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdm n ALA 30 N 1.00 -0.82 -0.27 4.61 0.00 0.70 -4.80 120.51 120.92 2wdm n ALA 30 Ca 0.00 0.48 0.13 0.00 0.00 0.00 0.00 53.44 54.05 2wdm n ALA 30 Cb 0.21 -2.11 0.26 0.00 0.00 0.00 0.00 19.45 17.81 2wdm n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wdm n PRO 31 N 3.39 -0.06 -4.04 0.00 -0.02 -1.26 -4.46 135.00 128.55 2wdm n PRO 31 Ca 0.21 1.19 -0.09 0.00 -2.02 0.00 0.00 63.50 62.79 2wdm n PRO 31 Cb 0.17 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 2wdm n PRO 31 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wdm s PHE 32 N -5.69 0.42 -0.03 6.00 0.08 -1.26 -4.83 117.98 112.67 2wdm s PHE 32 Ca -0.10 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.23 2wdm s PHE 32 Cb 0.24 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.39 2wdm s PHE 32 CO 0.62 -0.25 -0.12 0.50 -0.10 0.00 0.00 175.22 175.87 2wdm s ARG 33 N -2.52 1.23 -0.16 0.44 6.06 -1.14 -4.96 118.95 117.90 2wdm s ARG 33 Ca -0.06 -0.41 -0.05 0.00 -2.50 0.00 0.00 55.73 52.72 2wdm s ARG 33 Cb -0.02 -1.11 -0.03 0.00 0.06 0.00 0.00 34.95 33.84 2wdm s ARG 33 CO -0.05 0.16 0.01 0.50 -2.50 0.00 0.00 175.30 173.43 2wdm s ARG 34 N 0.12 3.71 0.00 5.12 3.52 -1.26 0.13 118.95 130.29 2wdm s ARG 34 Ca -0.03 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 2wdm s ARG 34 Cb -0.09 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 2wdm s ARG 34 CO 0.01 0.32 0.00 0.41 -0.81 0.00 0.00 175.30 175.23 2wdm n GLY 35 N 3.33 3.50 2.91 8.12 0.00 -0.65 -2.01 105.19 120.40 2wdm n GLY 35 Ca -0.17 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 2wdm n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 36 N -2.24 0.97 0.13 1.61 1.01 0.31 -0.57 120.40 121.62 2wdm s VAL 36 Ca 0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.39 2wdm s VAL 36 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.28 2wdm s VAL 36 CO 0.00 0.35 1.81 0.00 0.00 0.00 0.00 175.10 177.26 2wdm h THR 38 N 4.48 1.04 -3.30 0.00 1.03 0.01 -3.37 112.91 112.80 2wdm h THR 38 Ca -0.46 -2.37 -0.42 0.00 -0.01 0.00 0.00 66.41 63.15 2wdm h THR 38 Cb 1.22 2.69 -0.38 0.00 -1.07 0.00 0.00 68.15 70.61 2wdm h THR 38 CO 0.95 0.67 -0.76 -0.69 -0.01 0.00 0.00 175.52 175.68 2wdm s VAL 39 N -2.46 0.29 -1.05 0.00 1.01 -1.22 -4.45 120.40 112.53 2wdm s VAL 39 Ca -0.21 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 2wdm s VAL 39 Cb 0.04 -0.45 0.26 0.00 0.00 0.00 0.00 36.38 36.24 2wdm s VAL 39 CO 0.75 0.23 1.02 -0.69 0.00 0.00 0.00 175.10 176.41 2wdm s VAL 40 N 1.86 5.70 0.30 2.92 1.01 -1.26 -1.39 120.40 129.54 2wdm s VAL 40 Ca 0.03 -3.39 0.09 0.00 0.00 0.00 0.00 61.98 58.71 2wdm s VAL 40 Cb -0.12 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2wdm s VAL 40 CO -0.04 -1.15 0.01 -0.60 0.00 0.00 0.00 175.10 173.31 2wdm s ARG 41 N -1.12 2.18 -0.10 2.72 3.00 -1.21 -4.98 118.95 119.44 2wdm s ARG 41 Ca 0.29 -1.58 -0.03 0.00 -1.00 0.00 0.00 55.73 53.41 2wdm s ARG 41 Cb -0.10 -2.05 -0.03 0.00 0.00 0.00 0.00 34.95 32.77 2wdm s ARG 41 CO -0.09 0.24 0.01 -0.08 0.00 0.00 0.00 175.30 175.39 2wdm s THR 42 N -2.42 4.42 0.45 4.11 -1.32 -1.26 -1.87 115.64 117.75 2wdm s THR 42 Ca 0.33 -0.20 0.03 0.00 -1.21 0.00 0.00 61.69 60.65 2wdm s THR 42 Cb -0.03 -2.87 -0.04 0.00 -1.51 0.00 0.00 72.50 68.04 2wdm s THR 42 CO 0.20 0.60 0.03 0.68 -2.21 0.00 0.00 174.62 173.91 2wdm s VAL 43 N -0.78 1.30 0.01 5.08 -7.23 -0.67 -4.96 120.40 113.14 2wdm s VAL 43 Ca 0.12 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2wdm s VAL 43 Cb -0.12 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2wdm s VAL 43 CO 0.02 0.00 0.14 0.42 -0.31 0.00 0.00 175.10 175.37 2wdm s THR 44 N -2.92 5.09 1.03 5.32 -4.23 -1.26 -2.22 115.64 116.44 2wdm s THR 44 Ca 0.19 -0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 2wdm s THR 44 Cb 0.05 -3.38 0.20 0.00 1.34 0.00 0.00 72.50 70.71 2wdm s THR 44 CO 0.10 0.30 1.08 -2.16 -0.54 0.00 0.00 174.62 173.39 2wdm s PRO 45 N -1.97 0.20 0.00 3.99 0.04 -1.26 -4.96 135.00 131.04 2wdm s PRO 45 Ca 0.27 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2wdm s PRO 45 Cb -0.12 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2wdm s PRO 45 CO 0.18 -2.92 0.00 1.17 0.04 0.00 0.00 177.00 175.47 2wdm n LYS 46 N -4.33 2.78 0.00 4.56 4.81 -0.12 -4.86 118.16 120.99 2wdm n LYS 46 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2wdm n LYS 46 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 2wdm n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2wdm n LYS 47 N 0.00 0.00 -0.77 1.64 4.81 -1.26 -2.71 118.16 119.88 2wdm n LYS 47 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2wdm n LYS 47 Cb 0.00 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.28 2wdm n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wdm n PRO 48 N -0.09 2.48 -4.36 1.64 -0.05 -1.26 -5.00 135.00 128.35 2wdm n PRO 48 Ca 0.00 -3.05 -0.24 0.00 -0.05 0.00 0.00 63.50 60.16 2wdm n PRO 48 Cb 0.00 -1.92 -0.09 0.00 -0.05 0.00 0.00 33.50 31.44 2wdm n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 2wdm s ASN 49 N -2.02 4.13 -0.20 3.54 0.02 -1.10 -5.13 114.94 114.18 2wdm s ASN 49 Ca 0.47 -0.98 -0.04 0.00 -1.02 0.00 0.00 52.86 51.28 2wdm s ASN 49 Cb 0.40 -0.53 0.10 0.00 0.02 0.00 0.00 41.25 41.24 2wdm s ASN 49 CO 0.06 -0.19 0.34 -0.55 0.02 0.00 0.00 177.10 176.77 2wdm s SER 50 N -3.69 0.29 0.00 -1.22 0.15 -1.26 -4.55 113.70 103.42 2wdm s SER 50 Ca 0.34 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2wdm s SER 50 Cb -0.01 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 2wdm s SER 50 CO 0.19 -0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.36 2wdm n ALA 51 N 5.36 0.00 -3.08 5.45 0.00 -1.26 -5.01 120.51 121.98 2wdm n ALA 51 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 2wdm n ALA 51 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2wdm n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdm n LEU 52 N 0.00 -0.57 -4.73 0.00 4.77 -1.26 -4.27 117.00 110.94 2wdm n LEU 52 Ca 0.00 -4.36 -0.42 0.00 -0.03 0.00 0.00 56.01 51.20 2wdm n LEU 52 Cb 0.00 0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 2wdm n LEU 52 CO 0.00 2.07 1.22 0.54 -1.33 0.00 0.00 177.39 179.89 2wdm n ARG 53 N 1.37 2.59 -2.74 3.23 3.00 -0.94 -4.63 116.66 118.54 2wdm n ARG 53 Ca 0.18 0.92 -0.43 0.00 -0.01 0.00 0.00 57.85 58.51 2wdm n ARG 53 Cb 0.57 -2.69 -0.03 0.00 0.00 0.00 0.00 32.46 30.30 2wdm n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wdm s LYS 54 N -0.27 3.51 0.54 5.56 3.01 -1.26 -1.68 119.74 129.15 2wdm s LYS 54 Ca 0.66 0.15 0.08 0.00 -1.01 0.00 0.00 55.97 55.85 2wdm s LYS 54 Cb -0.53 -3.97 0.05 0.00 -1.01 0.00 0.00 37.83 32.38 2wdm s LYS 54 CO 0.47 -1.40 0.59 0.08 0.51 0.00 0.00 175.35 175.59 2wdm s VAL 55 N 4.16 2.02 -0.30 3.17 1.01 -0.78 -1.73 120.40 127.94 2wdm s VAL 55 Ca 0.39 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2wdm s VAL 55 Cb -0.10 -2.25 0.18 0.00 0.00 0.00 0.00 36.38 34.21 2wdm s VAL 55 CO 0.26 0.00 0.79 0.00 0.00 0.00 0.00 175.10 176.15 2wdm s ALA 56 N -2.68 -2.67 0.41 5.51 0.00 -0.71 -3.30 121.76 118.32 2wdm s ALA 56 Ca 0.49 1.78 -0.25 0.00 0.00 0.00 0.00 51.96 53.97 2wdm s ALA 56 Cb -0.04 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.76 2wdm s ALA 56 CO 0.30 -1.30 1.22 0.15 0.00 0.00 0.00 175.76 176.13 2wdm s LYS 57 N 2.85 3.98 -0.02 0.00 1.02 -0.49 -1.43 119.74 125.65 2wdm s LYS 57 Ca 0.09 1.95 0.00 0.00 0.02 0.00 0.00 55.97 58.03 2wdm s LYS 57 Cb -0.12 -2.67 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2wdm s LYS 57 CO -0.17 -0.42 0.01 0.08 -0.92 0.00 0.00 175.35 173.93 2wdm s VAL 58 N -1.37 0.06 -0.40 3.17 1.01 0.26 0.61 120.40 123.73 2wdm s VAL 58 Ca 0.58 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 2wdm s VAL 58 Cb -0.33 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 35.90 2wdm s VAL 58 CO 0.42 0.11 0.88 -0.60 0.00 0.00 0.00 175.10 175.91 2wdm s ARG 59 N 0.94 3.69 0.81 2.72 6.06 0.12 -1.00 118.95 132.28 2wdm s ARG 59 Ca -0.09 0.33 -0.10 0.00 -2.50 0.00 0.00 55.73 53.38 2wdm s ARG 59 Cb -0.12 -3.86 0.12 0.00 0.06 0.00 0.00 34.95 31.15 2wdm s ARG 59 CO -0.02 -1.03 1.14 -0.51 -2.50 0.00 0.00 175.30 172.37 2wdm s LEU 60 N 3.48 2.76 0.61 -0.88 2.01 -1.23 0.11 118.68 125.53 2wdm s LEU 60 Ca 0.36 0.33 0.37 0.00 0.01 0.00 0.00 54.13 55.20 2wdm s LEU 60 Cb -0.12 -2.71 1.98 0.00 0.01 0.00 0.00 46.19 45.36 2wdm s LEU 60 CO 0.21 -2.05 2.24 0.71 1.01 0.00 0.00 176.35 178.48 2wdm h THR 61 N -0.99 0.20 0.00 5.49 1.35 -1.79 -1.26 112.91 115.91 2wdm h THR 61 Ca -0.43 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2wdm h THR 61 Cb 1.29 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2wdm h THR 61 CO 0.51 0.02 0.00 -1.20 -0.25 0.00 0.00 175.52 174.60 2wdm n SER 62 N -3.32 0.61 0.00 5.36 7.64 -1.26 -4.81 113.62 117.85 2wdm n SER 62 Ca -0.02 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.89 2wdm n SER 62 Cb 0.14 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2wdm n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdm n GLY 63 N 0.19 0.75 0.00 0.23 0.00 -0.47 -4.93 105.19 100.96 2wdm n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdm n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdm n TYR 64 N -2.00 -0.76 0.00 1.61 4.02 -1.25 -4.77 117.16 114.01 2wdm n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wdm n TYR 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wdm n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2wdm n GLU 65 N 0.00 0.00 -3.99 -0.72 2.13 -1.21 -3.55 120.64 113.31 2wdm n GLU 65 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 2wdm n GLU 65 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 2wdm n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2wdm s VAL 66 N 0.00 0.19 -0.02 6.31 -7.23 -0.17 -4.84 120.40 114.63 2wdm s VAL 66 Ca 0.00 -1.53 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 2wdm s VAL 66 Cb 0.00 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2wdm s VAL 66 CO 0.00 -0.85 0.80 0.42 -0.31 0.00 0.00 175.10 175.16 2wdm s THR 67 N -3.89 4.92 0.46 5.32 -4.23 -1.26 0.90 115.64 117.85 2wdm s THR 67 Ca 0.06 1.67 0.03 0.00 -1.18 0.00 0.00 61.69 62.27 2wdm s THR 67 Cb 0.07 -4.14 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 2wdm s THR 67 CO -0.10 0.25 0.02 0.00 -0.54 0.00 0.00 174.62 174.25 2wdm s ALA 68 N 0.67 3.62 0.09 3.99 0.00 -0.52 -3.98 121.76 125.64 2wdm s ALA 68 Ca 0.42 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2wdm s ALA 68 Cb -0.19 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2wdm s ALA 68 CO 0.22 -0.10 -0.19 -0.47 0.00 0.00 0.00 175.76 175.22 2wdm s TYR 69 N -2.90 2.51 -0.57 0.00 5.04 -1.01 -1.73 117.35 118.69 2wdm s TYR 69 Ca 0.17 -0.28 -0.07 0.00 -2.44 0.00 0.00 57.07 54.46 2wdm s TYR 69 Cb 0.04 -1.38 0.15 0.00 0.35 0.00 0.00 41.96 41.12 2wdm s TYR 69 CO 0.09 0.32 0.43 0.42 -1.34 0.00 0.00 175.55 175.47 2wdm s ILE 70 N -1.04 4.11 1.38 3.14 1.01 -0.71 -0.15 121.20 128.94 2wdm s ILE 70 Ca 0.16 -2.36 -0.23 0.00 0.00 0.00 0.00 60.65 58.22 2wdm s ILE 70 Cb -0.10 -3.68 0.35 0.00 0.01 0.00 0.00 42.46 39.04 2wdm s ILE 70 CO 0.08 -0.84 0.99 -2.16 0.00 0.00 0.00 174.94 173.00 2wdm s PRO 71 N 0.62 -2.64 1.66 2.79 0.04 -1.26 -4.65 135.00 131.56 2wdm s PRO 71 Ca 0.12 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2wdm s PRO 71 Cb -0.21 -1.43 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2wdm s PRO 71 CO -0.03 -4.65 0.00 0.41 0.04 0.00 0.00 177.00 172.77 2wdm n GLY 72 N 0.62 -1.13 3.45 0.56 0.00 -1.26 -4.71 105.19 102.71 2wdm n GLY 72 Ca 0.14 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 2wdm n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdm s GLU 73 N -0.42 3.29 0.00 1.61 8.01 -1.26 -5.00 118.70 124.93 2wdm s GLU 73 Ca 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.21 2wdm s GLU 73 Cb 0.00 -3.66 0.00 0.00 -4.31 0.00 0.00 34.13 26.16 2wdm s GLU 73 CO 0.00 -0.48 0.00 0.41 0.01 0.00 0.00 175.26 175.20 2wdm n GLY 74 N 5.02 -1.01 0.00 -1.39 0.00 -1.26 -4.68 105.19 101.87 2wdm n GLY 74 Ca -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2wdm n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2wdm n HIS 75 N -0.97 0.00 -2.66 1.61 1.44 -1.26 -4.94 115.22 108.44 2wdm n HIS 75 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 2wdm n HIS 75 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 2wdm n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2wdm n ASN 76 N 0.00 -1.23 -4.42 4.39 6.94 -1.26 -5.02 115.26 114.67 2wdm n ASN 76 Ca 0.00 -1.82 -0.32 0.00 -0.02 0.00 0.00 54.58 52.42 2wdm n ASN 76 Cb 0.00 1.10 -0.14 0.00 -2.36 0.00 0.00 39.78 38.38 2wdm n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wdm s LEU 77 N -1.72 2.51 0.25 -4.53 1.43 -1.26 -4.88 118.68 110.48 2wdm s LEU 77 Ca 0.13 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2wdm s LEU 77 Cb 0.19 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2wdm s LEU 77 CO -0.11 0.33 0.18 -1.10 0.23 0.00 0.00 176.35 175.88 2wdm s GLN 78 N -0.65 1.41 0.30 1.70 -0.21 -1.26 -4.85 119.66 116.10 2wdm s GLN 78 Ca 0.10 -1.78 0.16 0.00 0.02 0.00 0.00 55.36 53.87 2wdm s GLN 78 Cb -0.11 0.25 1.08 0.00 1.00 0.00 0.00 33.01 35.23 2wdm s GLN 78 CO 0.00 -0.47 1.29 -1.91 -2.12 0.00 0.00 175.29 172.08 2wdm n GLU 79 N -0.41 -0.05 -3.79 2.91 2.13 -1.26 -2.90 120.64 117.27 2wdm n GLU 79 Ca 0.04 1.14 -0.29 0.00 0.66 0.00 0.00 57.16 58.70 2wdm n GLU 79 Cb 0.65 -2.03 -0.13 0.00 0.27 0.00 0.00 31.44 30.20 2wdm n GLU 79 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2wdm s HIS 80 N -5.28 2.69 -0.05 4.31 3.76 -1.26 -4.15 115.29 115.32 2wdm s HIS 80 Ca -0.08 -2.90 0.00 0.00 -0.15 0.00 0.00 55.06 51.94 2wdm s HIS 80 Cb 0.28 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.73 2wdm s HIS 80 CO 0.64 -0.70 -0.01 -1.12 -0.85 0.00 0.00 174.74 172.70 2wdm s SER 81 N -0.45 0.97 0.39 1.40 0.01 -1.14 -5.04 113.70 109.84 2wdm s SER 81 Ca 0.22 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.15 2wdm s SER 81 Cb -0.15 -0.36 -0.09 0.00 0.21 0.00 0.00 66.02 65.63 2wdm s SER 81 CO -0.08 -0.11 1.14 -0.69 0.41 0.00 0.00 173.24 173.90 2wdm s VAL 82 N 1.28 3.31 0.19 3.43 1.01 -1.26 -2.40 120.40 125.96 2wdm s VAL 82 Ca -0.06 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 2wdm s VAL 82 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2wdm s VAL 82 CO -0.02 0.10 0.38 -0.69 0.00 0.00 0.00 175.10 174.86 2wdm s VAL 83 N -1.44 0.04 -0.09 2.92 1.01 0.27 -1.79 120.40 121.32 2wdm s VAL 83 Ca 0.56 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2wdm s VAL 83 Cb -0.29 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2wdm s VAL 83 CO 0.36 -0.20 -0.21 -0.22 0.00 0.00 0.00 175.10 174.84 2wdm s LEU 84 N -2.95 2.28 0.11 3.92 0.20 -1.26 -1.63 118.68 119.35 2wdm s LEU 84 Ca 0.16 -0.46 -0.05 0.00 0.69 0.00 0.00 54.13 54.47 2wdm s LEU 84 Cb 0.02 -1.46 -0.05 0.00 -0.43 0.00 0.00 46.19 44.26 2wdm s LEU 84 CO 0.01 0.20 0.34 -0.63 -0.29 0.00 0.00 176.35 175.98 2wdm s ILE 85 N 0.12 5.21 -0.04 6.68 -1.09 0.35 -0.42 121.20 132.02 2wdm s ILE 85 Ca -0.11 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.37 2wdm s ILE 85 Cb -0.16 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2wdm s ILE 85 CO 0.06 0.11 0.02 -1.14 -1.23 0.00 0.00 174.94 172.76 2wdm n ARG 86 N 0.29 3.01 -0.06 2.79 0.63 0.63 -2.91 116.66 121.05 2wdm n ARG 86 Ca -0.04 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2wdm n ARG 86 Cb 0.52 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.33 2wdm n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdm n GLY 87 N 2.70 -3.12 0.00 5.14 0.00 -1.25 -4.76 105.19 103.91 2wdm n GLY 87 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2wdm n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 88 N -0.87 2.96 2.75 -0.02 0.00 -0.93 -4.45 105.19 104.62 2wdm n GLY 88 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 2wdm n GLY 88 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdm n ARG 89 N 0.00 -4.42 -3.75 1.61 -4.01 -1.19 -4.11 116.66 100.78 2wdm n ARG 89 Ca 0.00 -1.24 -0.30 0.00 -1.04 0.00 0.00 57.85 55.27 2wdm n ARG 89 Cb 0.00 -1.64 -0.14 0.00 -3.04 0.00 0.00 32.46 27.64 2wdm n ARG 89 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2wdm s VAL 90 N -1.94 1.26 0.00 8.89 1.01 -1.16 -4.93 120.40 123.52 2wdm s VAL 90 Ca 0.57 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2wdm s VAL 90 Cb -0.10 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2wdm s VAL 90 CO 0.48 -0.77 0.11 1.17 0.00 0.00 0.00 175.10 176.09 2wdm n LYS 91 N 4.19 0.00 0.00 2.72 3.00 -1.26 -0.78 118.16 126.03 2wdm n LYS 91 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2wdm n LYS 91 Cb 0.39 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 34.08 2wdm n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wdm n ASP 92 N 2.07 0.00 -4.06 3.14 2.03 -1.26 -5.01 116.55 113.46 2wdm n ASP 92 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2wdm n ASP 92 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 2wdm n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wdm s LEU 93 N -0.62 4.98 0.31 -2.67 1.43 0.04 -0.95 118.68 121.20 2wdm s LEU 93 Ca 0.00 -2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 50.24 2wdm s LEU 93 Cb 0.00 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.34 2wdm s LEU 93 CO 0.00 -0.39 1.59 -2.65 0.23 0.00 0.00 176.35 175.14 2wdm n PRO 94 N 3.82 2.74 0.00 1.29 -0.02 -1.26 -2.35 135.00 139.21 2wdm n PRO 94 Ca 0.04 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2wdm n PRO 94 Cb 0.38 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 2wdm n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdm n GLY 95 N 1.92 3.09 3.56 -1.23 0.00 -1.26 -5.00 105.19 106.27 2wdm n GLY 95 Ca 0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2wdm n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 96 N -0.52 3.60 -1.13 1.61 1.01 -0.99 -4.76 120.40 119.22 2wdm s VAL 96 Ca 0.00 0.45 0.11 0.00 0.00 0.00 0.00 61.98 62.53 2wdm s VAL 96 Cb 0.00 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.13 2wdm s VAL 96 CO 0.00 -1.14 0.73 0.54 0.00 0.00 0.00 175.10 175.23 2wdm n ARG 97 N 8.95 1.34 -4.37 2.72 1.74 -1.26 -3.00 116.66 122.77 2wdm n ARG 97 Ca 0.14 -0.86 -0.19 0.00 -0.77 0.00 0.00 57.85 56.18 2wdm n ARG 97 Cb 0.50 -1.14 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 2wdm n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wdm s TYR 98 N -1.15 1.72 0.08 -1.55 1.51 -1.26 -2.18 117.35 114.52 2wdm s TYR 98 Ca 0.10 -0.89 0.09 0.00 -1.01 0.00 0.00 57.07 55.36 2wdm s TYR 98 Cb 0.09 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 2wdm s TYR 98 CO 0.20 0.03 -0.23 -1.01 -1.11 0.00 0.00 175.55 173.44 2wdm s HIS 99 N -3.32 1.95 0.74 2.71 3.76 -1.26 -2.40 115.29 117.47 2wdm s HIS 99 Ca 0.30 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 2wdm s HIS 99 Cb 0.06 -1.11 0.04 0.00 1.11 0.00 0.00 32.58 32.69 2wdm s HIS 99 CO 0.11 0.18 1.12 0.42 -0.85 0.00 0.00 174.74 175.72 2wdm s ILE 100 N -0.98 2.84 -0.19 0.60 1.01 0.78 0.23 121.20 125.49 2wdm s ILE 100 Ca 0.09 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.97 2wdm s ILE 100 Cb -0.10 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2wdm s ILE 100 CO 0.03 -0.34 -0.18 -0.69 0.00 0.00 0.00 174.94 173.77 2wdm s VAL 101 N -3.42 2.19 1.20 2.92 1.01 0.44 -4.56 120.40 120.18 2wdm s VAL 101 Ca 0.60 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 2wdm s VAL 101 Cb -0.11 -1.95 0.30 0.00 0.00 0.00 0.00 36.38 34.62 2wdm s VAL 101 CO 0.50 0.50 1.00 0.54 0.00 0.00 0.00 175.10 177.64 2wdm n ARG 102 N 4.63 -2.62 -4.15 2.72 5.12 -1.26 -3.68 116.66 117.41 2wdm n ARG 102 Ca -0.20 -0.74 -0.34 0.00 -1.93 0.00 0.00 57.85 54.64 2wdm n ARG 102 Cb 0.50 -2.15 -0.08 0.00 -1.16 0.00 0.00 32.46 29.57 2wdm n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdm n GLY 103 N 1.07 -0.27 2.77 -0.13 0.00 0.38 -4.69 105.19 104.32 2wdm n GLY 103 Ca 0.02 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2wdm n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 104 N -3.40 -0.17 0.00 1.61 1.01 0.60 -4.88 120.40 115.17 2wdm s VAL 104 Ca 0.49 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2wdm s VAL 104 Cb -0.28 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2wdm s VAL 104 CO 0.90 0.15 0.00 -1.22 0.00 0.00 0.00 175.10 174.93 2wdm n TYR 105 N 5.18 0.00 1.93 5.22 0.53 -1.26 -1.61 117.16 127.15 2wdm n TYR 105 Ca -0.07 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 56.96 2wdm n TYR 105 Cb 0.50 0.00 0.89 0.00 -1.03 0.00 0.00 39.34 39.70 2wdm n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wdm n ASP 106 N 6.42 0.00 -4.50 7.72 9.92 -0.74 -4.68 116.55 130.70 2wdm n ASP 106 Ca 0.00 -0.99 -0.43 0.00 -0.53 0.00 0.00 54.79 52.84 2wdm n ASP 106 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 2wdm n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdm s ALA 107 N -2.00 3.38 0.05 2.24 0.00 -0.63 -4.83 121.76 119.96 2wdm s ALA 107 Ca 0.45 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 2wdm s ALA 107 Cb 0.21 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 2wdm s ALA 107 CO 0.35 -1.74 0.58 0.00 0.00 0.00 0.00 175.76 174.94 2wdm s ALA 108 N 2.57 3.56 0.93 0.00 0.00 -1.26 -0.29 121.76 127.26 2wdm s ALA 108 Ca 0.18 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 2wdm s ALA 108 Cb -0.16 -2.67 0.08 0.00 0.00 0.00 0.00 23.12 20.38 2wdm s ALA 108 CO 0.16 0.33 0.74 0.41 0.00 0.00 0.00 175.76 177.41 2wdm n GLY 109 N 1.92 -1.26 3.76 0.00 0.00 -1.26 -4.17 105.19 104.19 2wdm n GLY 109 Ca -0.09 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2wdm n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdm s VAL 110 N -2.49 2.43 0.42 1.61 1.01 -1.18 -4.88 120.40 117.31 2wdm s VAL 110 Ca 0.62 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2wdm s VAL 110 Cb -0.22 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 2wdm s VAL 110 CO 0.63 0.08 0.87 -0.75 0.00 0.00 0.00 175.10 175.93 2wdm s LYS 111 N -1.14 4.03 -0.64 2.72 2.20 -1.26 -3.93 119.74 121.72 2wdm s LYS 111 Ca 0.56 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2wdm s LYS 111 Cb -0.43 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2wdm s LYS 111 CO 0.51 -0.04 0.00 -0.25 -0.36 0.00 0.00 175.35 175.21 2wdm n ASP 112 N -0.89 -2.22 -4.71 1.43 10.43 -1.26 -4.90 116.55 114.43 2wdm n ASP 112 Ca 0.05 0.26 -0.41 0.00 2.57 0.00 0.00 54.79 57.25 2wdm n ASP 112 Cb 0.54 -2.11 -0.03 0.00 1.84 0.00 0.00 41.12 41.36 2wdm n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wdm s ARG 113 N -3.88 4.53 -0.04 -1.24 6.06 -1.25 -4.92 118.95 118.21 2wdm s ARG 113 Ca 0.00 1.27 0.04 0.00 -2.50 0.00 0.00 55.73 54.55 2wdm s ARG 113 Cb 0.00 -3.45 -0.06 0.00 0.06 0.00 0.00 34.95 31.50 2wdm s ARG 113 CO 0.00 -0.01 0.04 1.63 -2.50 0.00 0.00 175.30 174.46 2wdm n LYS 114 N 3.83 2.56 0.00 5.12 5.02 -1.26 -4.97 118.16 128.46 2wdm n LYS 114 Ca 0.04 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2wdm n LYS 114 Cb 0.51 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2wdm n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdm n LYS 115 N -2.06 0.00 -1.66 1.97 4.76 -1.26 -4.76 118.16 115.15 2wdm n LYS 115 Ca -0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 2wdm n LYS 115 Cb 0.53 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.69 2wdm n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2wdm s SER 116 N -1.28 6.17 -0.07 4.39 0.01 -1.26 -4.80 113.70 116.86 2wdm s SER 116 Ca 0.00 2.43 0.03 0.00 1.31 0.00 0.00 55.95 59.72 2wdm s SER 116 Cb 0.00 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 2wdm s SER 116 CO 0.00 -1.31 -0.03 0.54 0.41 0.00 0.00 173.24 172.85 2wdm n ARG 117 N 7.89 1.52 -0.28 12.44 1.74 -1.26 -4.57 116.66 134.13 2wdm n ARG 117 Ca 0.23 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2wdm n ARG 117 Cb 0.42 -1.16 0.07 0.00 -1.02 0.00 0.00 32.46 30.78 2wdm n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdm h SER 118 N 0.00 -0.94 -3.61 0.55 0.87 -1.87 -1.26 113.55 107.28 2wdm h SER 118 Ca -0.17 0.25 -0.51 0.00 -1.23 0.00 0.00 61.79 60.13 2wdm h SER 118 Cb 1.32 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 63.81 2wdm h SER 118 CO -0.01 -0.28 0.28 -0.54 -0.53 0.00 0.00 176.83 175.75 2wdm s LYS 119 N -6.15 4.70 0.00 2.24 1.02 -1.26 -3.01 119.74 117.29 2wdm s LYS 119 Ca -0.14 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.19 2wdm s LYS 119 Cb 0.21 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2wdm s LYS 119 CO 0.74 0.45 0.00 0.66 -0.92 0.00 0.00 175.35 176.27 2wdm n TYR 120 N 1.93 0.00 -1.16 3.18 4.02 -1.21 -4.68 117.16 119.24 2wdm n TYR 120 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.86 2wdm n TYR 120 Cb 0.48 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 2wdm n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdm n GLY 121 N -2.84 0.00 3.16 2.72 0.00 -0.50 -3.10 105.19 104.63 2wdm n GLY 121 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2wdm n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdm s THR 122 N -0.17 1.44 0.46 2.61 2.01 -1.09 -3.98 115.64 116.92 2wdm s THR 122 Ca 0.01 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 2wdm s THR 122 Cb -0.00 -1.22 -0.08 0.00 0.01 0.00 0.00 72.50 71.21 2wdm s THR 122 CO 0.02 0.41 1.10 -0.54 -0.69 0.00 0.00 174.62 174.93 2wdm s LYS 123 N -0.18 3.81 -0.09 4.92 -0.14 -1.26 -4.72 119.74 122.08 2wdm s LYS 123 Ca 0.01 1.60 -0.29 0.00 -1.36 0.00 0.00 55.97 55.93 2wdm s LYS 123 Cb -0.09 -2.32 -0.06 0.00 -1.68 0.00 0.00 37.83 33.67 2wdm s LYS 123 CO 0.01 -0.47 1.98 0.21 -0.76 0.00 0.00 175.35 176.32 2wdm s LYS 124 N -2.84 3.74 0.13 1.68 2.47 -1.26 -4.96 119.74 118.70 2wdm s LYS 124 Ca 0.64 2.25 -0.30 0.00 -1.56 0.00 0.00 55.97 57.00 2wdm s LYS 124 Cb -0.24 -4.21 -0.06 0.00 -1.46 0.00 0.00 37.83 31.86 2wdm s LYS 124 CO 0.29 -1.40 1.05 -1.25 0.16 0.00 0.00 175.35 174.20 2wdm s PRO 125 N 5.12 4.61 0.48 4.03 0.04 -1.26 -5.03 135.00 142.99 2wdm s PRO 125 Ca 0.89 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 63.35 2wdm s PRO 125 Cb -0.36 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.76 2wdm s PRO 125 CO 0.37 0.08 1.00 0.21 0.04 0.00 0.00 177.00 178.70 2wdm s LYS 126 N -0.01 3.95 -0.11 4.56 2.47 -1.26 -4.94 119.74 124.40 2wdm s LYS 126 Ca 0.50 1.18 0.02 0.00 -1.56 0.00 0.00 55.97 56.11 2wdm s LYS 126 Cb -0.27 -2.13 0.20 0.00 -1.46 0.00 0.00 37.83 34.18 2wdm s LYS 126 CO 0.32 -0.28 1.13 0.39 0.16 0.00 0.00 175.35 177.07 2wdm n GLU 127 N -1.04 1.60 -3.06 4.03 -0.58 -1.26 -4.87 120.64 115.46 2wdm n GLU 127 Ca 0.08 -0.87 -0.01 0.00 -0.42 0.00 0.00 57.16 55.94 2wdm n GLU 127 Cb 0.53 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 2wdm n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdm n ALA 128 N 0.08 -2.54 0.00 0.62 0.00 -1.26 -5.39 120.51 112.02 2wdm n ALA 128 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2wdm n ALA 128 Cb 0.73 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2wdm n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50