#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg s GLN 3 N 0.00 2.36 -0.55 5.31 -0.21 -1.26 -4.36 119.66 120.94 2wdg s GLN 3 Ca 0.00 -1.51 -0.23 0.00 0.02 0.00 0.00 55.36 53.65 2wdg s GLN 3 Cb 0.00 -3.53 0.05 0.00 1.00 0.00 0.00 33.01 30.52 2wdg s GLN 3 CO 0.00 -0.88 0.86 0.71 -2.12 0.00 0.00 175.29 173.86 2wdg s TYR 4 N 1.28 2.85 -0.08 0.91 1.51 -1.03 -4.91 117.35 117.87 2wdg s TYR 4 Ca 0.02 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 2wdg s TYR 4 Cb -0.22 -3.96 -0.03 0.00 -0.11 0.00 0.00 41.96 37.65 2wdg s TYR 4 CO -0.01 -1.30 -0.08 -0.47 -1.11 0.00 0.00 175.55 172.59 2wdg s TYR 5 N 3.62 2.92 0.04 2.71 6.14 -1.26 -2.16 117.35 129.35 2wdg s TYR 5 Ca 0.26 -0.10 -0.07 0.00 0.64 0.00 0.00 57.07 57.80 2wdg s TYR 5 Cb -0.15 -1.75 -0.01 0.00 0.42 0.00 0.00 41.96 40.47 2wdg s TYR 5 CO 0.16 0.21 0.12 0.20 0.64 0.00 0.00 175.55 176.89 2wdg s GLY 6 N -0.52 0.14 -0.29 8.97 0.00 -1.16 -4.51 107.32 109.94 2wdg s GLY 6 Ca 0.08 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.32 2wdg s GLY 6 CO 0.02 -0.66 -0.04 -1.59 0.00 0.00 0.00 173.10 170.82 2wdg s THR 7 N -2.75 2.20 0.31 0.90 2.01 -1.26 -1.38 115.64 115.68 2wdg s THR 7 Ca -0.04 -1.93 -0.27 0.00 0.31 0.00 0.00 61.69 59.76 2wdg s THR 7 Cb -0.00 -2.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.97 2wdg s THR 7 CO -0.05 -0.27 0.98 -0.83 -0.69 0.00 0.00 174.62 173.75 2wdg s GLY 8 N 1.02 2.88 -0.15 4.40 0.00 0.03 -4.23 107.32 111.28 2wdg s GLY 8 Ca -0.01 0.61 -0.08 0.00 0.00 0.00 0.00 44.72 45.25 2wdg s GLY 8 CO -0.06 1.10 0.35 -1.60 0.00 0.00 0.00 173.10 172.88 2wdg s ARG 9 N -1.88 0.32 -0.29 2.90 3.52 -1.25 -0.52 118.95 121.76 2wdg s ARG 9 Ca 0.49 0.69 0.01 0.00 -0.13 0.00 0.00 55.73 56.79 2wdg s ARG 9 Cb -0.22 -0.06 0.19 0.00 -1.56 0.00 0.00 34.95 33.31 2wdg s ARG 9 CO 0.28 -0.16 0.69 1.03 -0.81 0.00 0.00 175.30 176.33 2wdg s ARG 10 N 1.34 0.47 -0.15 5.12 0.52 -1.07 -4.62 118.95 120.57 2wdg s ARG 10 Ca -0.09 0.56 -0.10 0.00 -0.52 0.00 0.00 55.73 55.57 2wdg s ARG 10 Cb -0.09 0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.69 2wdg s ARG 10 CO -0.11 -0.79 0.20 1.17 0.02 0.00 0.00 175.30 175.79 2wdg n LYS 11 N 5.37 -3.96 -2.93 3.54 4.81 -1.26 -3.75 118.16 119.98 2wdg n LYS 11 Ca 0.04 3.02 -0.08 0.00 -0.87 0.00 0.00 58.31 60.42 2wdg n LYS 11 Cb 0.54 -4.19 -0.03 0.00 0.02 0.00 0.00 35.03 31.38 2wdg n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wdg n GLU 12 N 1.91 -0.98 -3.10 1.64 -0.58 -1.26 -4.65 120.64 113.61 2wdg n GLU 12 Ca -0.34 0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.45 2wdg n GLU 12 Cb 0.52 -0.92 -0.00 0.00 -0.57 0.00 0.00 31.44 30.47 2wdg n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdg s ALA 13 N -3.28 -2.96 0.34 0.62 0.00 -1.25 -0.60 121.76 114.63 2wdg s ALA 13 Ca 0.01 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.73 2wdg s ALA 13 Cb -0.01 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2wdg s ALA 13 CO 0.25 -2.18 0.49 0.08 0.00 0.00 0.00 175.76 174.40 2wdg s VAL 14 N 2.18 4.34 -0.16 0.00 1.01 -0.65 -2.59 120.40 124.54 2wdg s VAL 14 Ca 0.16 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 2wdg s VAL 14 Cb -0.04 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.86 2wdg s VAL 14 CO -0.14 -0.25 0.39 0.00 0.00 0.00 0.00 175.10 175.10 2wdg s ALA 15 N -2.22 -0.98 0.04 5.51 0.00 0.33 -0.89 121.76 123.54 2wdg s ALA 15 Ca 0.43 1.38 -0.20 0.00 0.00 0.00 0.00 51.96 53.58 2wdg s ALA 15 Cb -0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 2wdg s ALA 15 CO 0.32 -0.24 0.57 1.03 0.00 0.00 0.00 175.76 177.44 2wdg s ARG 16 N 1.11 4.23 -0.15 0.00 0.52 0.59 -0.79 118.95 124.46 2wdg s ARG 16 Ca -0.07 0.73 0.02 0.00 -0.52 0.00 0.00 55.73 55.88 2wdg s ARG 16 Cb -0.07 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.14 2wdg s ARG 16 CO -0.09 0.55 -0.21 0.08 0.02 0.00 0.00 175.30 175.65 2wdg s VAL 17 N -0.80 2.01 -0.18 3.52 1.01 -0.48 -1.56 120.40 123.93 2wdg s VAL 17 Ca 0.29 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2wdg s VAL 17 Cb -0.19 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2wdg s VAL 17 CO 0.18 0.54 -0.11 -0.36 0.00 0.00 0.00 175.10 175.35 2wdg s PHE 18 N 0.99 2.86 0.02 5.22 2.99 0.62 -3.00 117.98 127.68 2wdg s PHE 18 Ca -0.03 -0.94 0.08 0.00 0.00 0.00 0.00 56.93 56.04 2wdg s PHE 18 Cb -0.15 -1.96 -0.02 0.00 0.00 0.00 0.00 43.02 40.89 2wdg s PHE 18 CO -0.05 -0.46 -0.23 -0.51 -0.00 0.00 0.00 175.22 173.97 2wdg s LEU 19 N 0.98 2.13 -0.22 -0.37 1.43 -0.92 0.98 118.68 122.68 2wdg s LEU 19 Ca -0.01 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 2wdg s LEU 19 Cb -0.15 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.00 2wdg s LEU 19 CO -0.01 0.23 0.54 -0.13 0.23 0.00 0.00 176.35 177.20 2wdg s ARG 20 N -0.99 0.54 0.50 1.70 3.00 -1.22 -2.47 118.95 120.01 2wdg s ARG 20 Ca 0.09 0.98 -0.21 0.00 0.00 0.00 0.00 55.73 56.59 2wdg s ARG 20 Cb -0.09 0.06 -0.08 0.00 0.00 0.00 0.00 34.95 34.84 2wdg s ARG 20 CO 0.01 -0.15 0.91 -2.30 0.00 0.00 0.00 175.30 173.76 2wdg n PRO 21 N 4.22 1.05 -3.81 3.54 -0.02 -1.26 0.15 135.00 138.87 2wdg n PRO 21 Ca -0.21 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2wdg n PRO 21 Cb 0.57 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2wdg n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdg n GLY 22 N 1.33 -0.56 0.37 -1.23 0.00 0.40 -4.58 105.19 100.92 2wdg n GLY 22 Ca 0.11 -1.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.10 2wdg n GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wdg h ASN 23 N 0.00 -1.25 0.00 1.61 -0.26 -1.84 -3.32 115.58 110.52 2wdg h ASN 23 Ca 0.00 0.29 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2wdg h ASN 23 Cb 0.00 0.68 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 2wdg h ASN 23 CO 0.00 -0.30 0.00 0.61 -1.06 0.00 0.00 177.43 176.68 2wdg n GLY 24 N -1.50 3.56 1.37 2.83 0.00 -1.19 -4.38 105.19 105.88 2wdg n GLY 24 Ca 0.10 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 2wdg n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdg n LYS 25 N 0.00 0.00 -3.83 1.61 2.85 -1.26 -4.33 118.16 113.20 2wdg n LYS 25 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2wdg n LYS 25 Cb 0.00 -0.56 -0.13 0.00 -0.65 0.00 0.00 35.03 33.69 2wdg n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2wdg s VAL 26 N 0.76 3.84 0.07 0.58 1.01 -1.26 -3.74 120.40 121.67 2wdg s VAL 26 Ca 0.38 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2wdg s VAL 26 Cb -0.53 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2wdg s VAL 26 CO 0.28 0.38 -0.02 -0.89 0.00 0.00 0.00 175.10 174.85 2wdg s THR 27 N 1.54 3.94 -0.19 3.92 2.01 -0.11 -0.44 115.64 126.32 2wdg s THR 27 Ca 0.06 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 61.01 2wdg s THR 27 Cb -0.15 -2.85 0.06 0.00 0.01 0.00 0.00 72.50 69.58 2wdg s THR 27 CO 0.00 0.17 0.45 -0.69 -0.69 0.00 0.00 174.62 173.87 2wdg s VAL 28 N -1.25 -0.02 -1.48 3.82 1.01 0.27 0.23 120.40 122.98 2wdg s VAL 28 Ca 0.24 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 2wdg s VAL 28 Cb -0.12 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.64 2wdg s VAL 28 CO 0.16 0.03 0.50 0.59 0.00 0.00 0.00 175.10 176.38 2wdg n ASN 29 N 4.26 -1.05 -3.27 3.32 4.13 0.15 -2.21 115.26 120.59 2wdg n ASN 29 Ca -0.23 -1.01 -0.14 0.00 1.68 0.00 0.00 54.58 54.89 2wdg n ASN 29 Cb 0.56 -2.98 0.05 0.00 -1.54 0.00 0.00 39.78 35.87 2wdg n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wdg n GLY 30 N -1.87 -1.17 3.62 7.41 0.00 -1.26 -5.02 105.19 106.90 2wdg n GLY 30 Ca -0.22 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 2wdg n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdg s GLN 31 N -4.28 0.16 0.30 1.61 0.74 -0.94 -5.10 119.66 112.15 2wdg s GLN 31 Ca 0.36 -0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.45 2wdg s GLN 31 Cb -0.06 0.07 -0.09 0.00 1.10 0.00 0.00 33.01 34.03 2wdg s GLN 31 CO 0.76 -0.07 1.00 0.34 -0.55 0.00 0.00 175.29 176.77 2wdg s ASP 32 N -1.83 7.32 0.06 6.67 -1.08 -1.26 -0.56 116.67 125.98 2wdg s ASP 32 Ca 0.10 2.02 -0.13 0.00 -0.52 0.00 0.00 52.55 54.02 2wdg s ASP 32 Cb -0.01 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.81 2wdg s ASP 32 CO -0.04 -0.09 1.22 0.15 0.52 0.00 0.00 175.17 176.93 2wdg h PHE 33 N 3.52 -0.73 0.00 -5.34 3.57 -1.11 0.12 116.94 116.97 2wdg h PHE 33 Ca -0.46 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2wdg h PHE 33 Cb 1.20 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.30 2wdg h PHE 33 CO 0.60 -0.17 0.00 0.09 -2.23 0.00 0.00 178.31 176.60 2wdg n ASN 34 N -3.85 1.11 0.00 0.41 4.13 -1.26 -2.15 115.26 113.65 2wdg n ASN 34 Ca -0.00 -1.12 0.00 0.00 1.68 0.00 0.00 54.58 55.14 2wdg n ASN 34 Cb 0.12 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 2wdg n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2wdg n GLU 35 N 0.47 0.00 0.17 3.52 2.13 0.35 -4.36 120.64 122.91 2wdg n GLU 35 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 2wdg n GLU 35 Cb 0.21 -0.85 0.14 0.00 0.27 0.00 0.00 31.44 31.21 2wdg n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2wdg h TYR 36 N 0.00 0.00 -1.18 4.31 3.20 -1.18 -3.07 116.97 119.05 2wdg h TYR 36 Ca 0.00 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.24 2wdg h TYR 36 Cb 0.92 0.00 -0.36 0.00 1.54 0.00 0.00 36.73 38.83 2wdg h TYR 36 CO 0.00 0.36 -0.03 1.19 -1.64 0.00 0.00 178.16 178.03 2wdg n PHE 37 N -3.24 3.06 -2.15 -3.82 0.99 -0.92 -5.00 117.46 106.39 2wdg n PHE 37 Ca 0.02 -2.65 -0.40 0.00 -0.00 0.00 0.00 57.45 54.42 2wdg n PHE 37 Cb 0.63 -0.73 -0.03 0.00 -1.00 0.00 0.00 39.48 38.36 2wdg n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2wdg s GLN 38 N -3.73 2.93 0.00 -1.08 -0.44 -1.16 -3.36 119.66 112.82 2wdg s GLN 38 Ca 0.54 0.66 0.00 0.00 -2.50 0.00 0.00 55.36 54.06 2wdg s GLN 38 Cb 0.44 -4.28 0.00 0.00 -1.64 0.00 0.00 33.01 27.53 2wdg s GLN 38 CO -0.10 -2.37 0.00 0.41 0.50 0.00 0.00 175.29 173.73 2wdg n GLY 39 N 5.53 3.09 3.58 2.59 0.00 -1.26 -5.05 105.19 113.68 2wdg n GLY 39 Ca 0.18 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 2wdg n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdg n LEU 40 N 0.00 3.15 0.26 0.99 4.77 -1.21 -4.84 117.00 120.11 2wdg n LEU 40 Ca 0.00 0.44 0.17 0.00 -0.03 0.00 0.00 56.01 56.60 2wdg n LEU 40 Cb 0.00 -1.46 0.79 0.00 -2.33 0.00 0.00 43.42 40.42 2wdg n LEU 40 CO 0.00 -0.50 1.01 0.58 -1.33 0.00 0.00 177.39 177.15 2wdg h VAL 41 N 6.71 0.00 -0.01 4.08 2.07 -1.97 -1.61 116.25 125.53 2wdg h VAL 41 Ca -0.40 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wdg h VAL 41 Cb 1.26 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2wdg h VAL 41 CO 0.97 0.00 -0.21 -1.14 0.02 0.00 0.00 177.57 177.21 2wdg n ARG 42 N -2.84 1.07 -0.04 1.57 0.63 -1.26 -4.46 116.66 111.33 2wdg n ARG 42 Ca -0.00 -0.66 -0.03 0.00 -0.92 0.00 0.00 57.85 56.24 2wdg n ARG 42 Cb 0.19 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 2wdg n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdg h ALA 43 N 3.86 -0.31 0.00 5.13 0.00 -1.62 -0.86 119.26 125.47 2wdg h ALA 43 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wdg h ALA 43 Cb 0.53 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2wdg h ALA 43 CO 0.00 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.21 2wdg n VAL 44 N -3.28 0.00 0.08 0.00 0.24 -1.26 -2.22 118.33 111.89 2wdg n VAL 44 Ca -0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.09 2wdg n VAL 44 Cb 0.06 -0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 31.69 2wdg n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdg h ALA 45 N 0.79 0.15 -0.79 2.33 0.00 -1.47 -3.37 119.26 116.91 2wdg h ALA 45 Ca 0.00 -1.07 0.17 0.00 0.00 0.00 0.00 54.91 54.00 2wdg h ALA 45 Cb 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2wdg h ALA 45 CO 0.00 1.02 0.53 0.00 0.00 0.00 0.00 179.25 180.80 2wdg h ALA 46 N 0.30 2.17 -0.02 0.00 0.00 -1.62 0.39 119.26 120.48 2wdg h ALA 46 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wdg h ALA 46 Cb 2.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2wdg h ALA 46 CO 0.19 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.32 2wdg n LEU 47 N -4.48 0.95 -0.04 0.00 4.32 -1.26 -4.19 117.00 112.30 2wdg n LEU 47 Ca 0.16 -0.33 0.05 0.00 -0.02 0.00 0.00 56.01 55.87 2wdg n LEU 47 Cb 0.59 -0.01 0.42 0.00 -1.62 0.00 0.00 43.42 42.80 2wdg n LEU 47 CO 0.33 0.16 1.18 -0.08 -1.22 0.00 0.00 177.39 177.76 2wdg h GLU 48 N 1.47 0.57 0.00 3.23 4.57 -1.08 -1.99 114.58 121.36 2wdg h GLU 48 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wdg h GLU 48 Cb 0.31 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2wdg h GLU 48 CO 0.00 0.38 0.00 -1.00 -1.18 0.00 0.00 179.01 177.21 2wdg h PRO 49 N 0.59 0.00 -0.16 0.92 0.13 -1.78 -2.71 132.00 128.99 2wdg h PRO 49 Ca 0.19 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.15 2wdg h PRO 49 Cb 0.04 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.18 2wdg h PRO 49 CO -0.05 0.00 -0.56 -0.07 -0.23 0.00 0.00 178.00 177.09 2wdg h LEU 50 N 0.00 0.77 -2.93 1.56 3.38 -1.68 -3.11 115.31 113.30 2wdg h LEU 50 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2wdg h LEU 50 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2wdg h LEU 50 CO 0.00 1.24 0.02 0.03 0.09 0.00 0.00 178.44 179.83 2wdg h ARG 51 N 0.34 0.00 -0.05 1.13 -0.00 -1.62 0.97 114.38 115.15 2wdg h ARG 51 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 2wdg h ARG 51 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 2wdg h ARG 51 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.97 180.09 2wdg n ALA 52 N -2.07 2.59 0.00 0.04 0.00 -1.17 -2.92 120.51 116.98 2wdg n ALA 52 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2wdg n ALA 52 Cb 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2wdg n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wdg n VAL 53 N -0.33 0.00 0.00 0.00 0.24 0.56 -5.00 118.33 113.81 2wdg n VAL 53 Ca 0.18 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2wdg n VAL 53 Cb 0.21 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2wdg n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wdg n ASP 54 N -0.07 0.00 -2.79 -1.34 8.00 0.30 -5.06 116.55 115.60 2wdg n ASP 54 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2wdg n ASP 54 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2wdg n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdg n ALA 55 N 0.00 4.08 0.27 2.24 0.00 -1.23 -4.43 120.51 121.43 2wdg n ALA 55 Ca 0.00 -1.44 0.16 0.00 0.00 0.00 0.00 53.44 52.17 2wdg n ALA 55 Cb 0.00 -2.68 0.61 0.00 0.00 0.00 0.00 19.45 17.38 2wdg n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdg h LEU 56 N 7.29 0.00 -4.93 0.00 6.46 -1.96 -3.37 115.31 118.81 2wdg h LEU 56 Ca 0.30 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.88 2wdg h LEU 56 Cb 0.39 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.18 2wdg h LEU 56 CO 0.98 0.01 -0.25 0.61 -0.62 0.00 0.00 178.44 179.17 2wdg n GLY 57 N 0.19 1.17 0.10 3.75 0.00 -1.26 -4.94 105.19 104.19 2wdg n GLY 57 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2wdg n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdg n ARG 58 N -0.79 2.98 -4.32 1.61 1.74 -1.25 -3.94 116.66 112.68 2wdg n ARG 58 Ca -0.09 -0.36 -0.23 0.00 -0.77 0.00 0.00 57.85 56.40 2wdg n ARG 58 Cb 0.82 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 31.25 2wdg n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wdg s PHE 59 N -1.04 1.83 -0.73 -1.55 0.40 -1.25 0.15 117.98 115.80 2wdg s PHE 59 Ca 0.04 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 2wdg s PHE 59 Cb 0.04 -0.95 0.19 0.00 0.51 0.00 0.00 43.02 42.81 2wdg s PHE 59 CO 0.15 0.29 0.58 -0.51 0.70 0.00 0.00 175.22 176.42 2wdg s ASP 60 N -2.37 5.61 -0.53 1.36 1.01 0.40 -3.16 116.67 118.99 2wdg s ASP 60 Ca 0.12 -3.11 -0.28 0.00 0.71 0.00 0.00 52.55 49.99 2wdg s ASP 60 Cb -0.07 -1.91 0.02 0.00 1.01 0.00 0.00 42.92 41.97 2wdg s ASP 60 CO 0.06 -0.33 1.33 0.00 0.21 0.00 0.00 175.17 176.44 2wdg s ALA 61 N -0.45 2.93 -0.43 5.23 0.00 -1.24 -3.38 121.76 124.42 2wdg s ALA 61 Ca 0.20 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 2wdg s ALA 61 Cb -0.15 -4.04 0.02 0.00 0.00 0.00 0.00 23.12 18.95 2wdg s ALA 61 CO -0.07 -2.70 0.54 -0.47 0.00 0.00 0.00 175.76 173.07 2wdg s TYR 62 N 5.51 3.11 -0.02 0.00 5.04 0.27 -0.94 117.35 130.33 2wdg s TYR 62 Ca 0.51 -0.22 0.07 0.00 -2.44 0.00 0.00 57.07 54.99 2wdg s TYR 62 Cb -0.10 -3.14 -0.02 0.00 0.35 0.00 0.00 41.96 39.05 2wdg s TYR 62 CO 0.27 -0.80 -0.23 0.42 -1.34 0.00 0.00 175.55 173.88 2wdg s ILE 63 N 2.49 1.79 -0.26 3.14 1.01 0.13 -0.28 121.20 129.23 2wdg s ILE 63 Ca 0.17 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2wdg s ILE 63 Cb -0.16 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 40.88 2wdg s ILE 63 CO 0.16 0.50 -0.09 0.28 0.00 0.00 0.00 174.94 175.79 2wdg s THR 64 N -0.54 2.37 -0.09 2.92 -1.32 -0.60 0.34 115.64 118.71 2wdg s THR 64 Ca 0.09 -1.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.06 2wdg s THR 64 Cb -0.09 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 2wdg s THR 64 CO -0.01 0.02 -0.03 0.54 -2.21 0.00 0.00 174.62 172.93 2wdg s VAL 65 N 1.16 4.06 -0.11 5.08 0.11 -1.26 -0.30 120.40 129.15 2wdg s VAL 65 Ca -0.07 -0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 2wdg s VAL 65 Cb -0.19 -2.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.99 2wdg s VAL 65 CO -0.05 0.58 0.27 -0.13 -3.33 0.00 0.00 175.10 172.44 2wdg s ARG 66 N -0.66 0.27 0.00 1.54 0.52 -0.07 -4.93 118.95 115.61 2wdg s ARG 66 Ca 0.10 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2wdg s ARG 66 Cb -0.12 0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.36 2wdg s ARG 66 CO 0.02 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.65 2wdg n GLY 67 N 3.64 2.59 7.00 -3.53 0.00 -1.26 -1.64 105.19 111.99 2wdg n GLY 67 Ca -0.19 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2wdg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdg n GLY 68 N 1.09 1.50 3.32 -0.02 0.00 0.23 -4.36 105.19 106.95 2wdg n GLY 68 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 2wdg n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdg s GLY 69 N -0.01 1.68 0.44 -0.02 0.00 -1.26 -5.04 107.32 103.11 2wdg s GLY 69 Ca 0.00 -1.84 0.22 0.00 0.00 0.00 0.00 44.72 43.10 2wdg s GLY 69 CO 0.00 -1.61 1.80 0.50 0.00 0.00 0.00 173.10 173.79 2wdg h LYS 70 N 2.41 0.29 0.02 2.90 1.57 -2.00 -2.19 116.57 119.58 2wdg h LYS 70 Ca -0.38 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 2wdg h LYS 70 Cb 1.24 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.49 2wdg h LYS 70 CO 0.62 0.19 -0.28 1.03 -0.57 0.00 0.00 179.45 180.45 2wdg h SER 71 N 0.30 0.20 -0.14 0.86 0.87 -1.97 -2.25 113.55 111.42 2wdg h SER 71 Ca 0.55 -0.86 0.04 0.00 -1.23 0.00 0.00 61.79 60.30 2wdg h SER 71 Cb 1.58 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 2wdg h SER 71 CO -0.21 1.04 0.15 1.23 -0.53 0.00 0.00 176.83 178.51 2wdg h GLY 72 N -0.61 0.00 1.18 5.77 0.00 -1.78 0.10 103.07 107.74 2wdg h GLY 72 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.00 2wdg h GLY 72 CO 0.05 0.00 -1.18 1.46 0.00 0.00 0.00 176.54 176.88 2wdg h GLN 73 N 0.00 0.61 -0.72 4.80 4.20 -1.42 -2.03 115.11 120.55 2wdg h GLN 73 Ca 0.07 -0.80 -0.00 0.00 0.06 0.00 0.00 58.65 57.98 2wdg h GLN 73 Cb 0.36 0.26 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2wdg h GLN 73 CO -0.00 1.36 0.43 0.82 -0.67 0.00 0.00 178.83 180.77 2wdg h ILE 74 N 0.24 1.20 -0.31 2.54 2.04 -0.26 0.43 117.51 123.40 2wdg h ILE 74 Ca -0.18 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.11 2wdg h ILE 74 Cb 1.86 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2wdg h ILE 74 CO 0.23 0.21 -0.33 0.44 0.00 0.00 0.00 178.15 178.70 2wdg h ASP 75 N 0.99 0.69 0.60 1.72 3.32 -1.00 -2.58 116.42 120.16 2wdg h ASP 75 Ca 0.26 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2wdg h ASP 75 Cb -0.04 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.33 2wdg h ASP 75 CO -0.05 0.97 -0.29 0.00 -1.72 0.00 0.00 179.24 178.15 2wdg h ALA 76 N 1.07 -0.81 -0.85 3.45 0.00 -0.30 -3.01 119.26 118.80 2wdg h ALA 76 Ca 0.06 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 54.99 2wdg h ALA 76 Cb 0.83 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 2wdg h ALA 76 CO 0.07 -0.84 0.11 0.82 0.00 0.00 0.00 179.25 179.41 2wdg h ILE 77 N -1.03 0.27 -0.99 0.00 2.04 -0.22 0.16 117.51 117.74 2wdg h ILE 77 Ca -0.08 -0.05 0.15 0.00 1.00 0.00 0.00 64.86 65.88 2wdg h ILE 77 Cb 0.67 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.79 2wdg h ILE 77 CO 0.14 0.02 0.62 0.50 0.00 0.00 0.00 178.15 179.43 2wdg h LYS 78 N 0.13 0.86 0.16 2.37 3.64 -1.34 -1.15 116.57 121.26 2wdg h LYS 78 Ca 0.51 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 2wdg h LYS 78 Cb 0.99 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2wdg h LYS 78 CO -0.71 0.57 -0.08 1.25 -2.27 0.00 0.00 179.45 178.21 2wdg h LEU 79 N 0.89 -0.19 -0.83 5.20 7.12 -0.57 -2.50 115.31 124.44 2wdg h LEU 79 Ca 0.52 -0.31 0.09 0.00 0.13 0.00 0.00 57.88 58.31 2wdg h LEU 79 Cb 0.65 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.76 2wdg h LEU 79 CO -0.30 0.25 0.48 1.23 -0.13 0.00 0.00 178.44 179.98 2wdg h GLY 80 N -0.67 1.28 0.97 3.75 0.00 -1.20 0.47 103.07 107.68 2wdg h GLY 80 Ca -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2wdg h GLY 80 CO 0.04 0.16 0.06 -2.22 0.00 0.00 0.00 176.54 174.57 2wdg h ILE 81 N 0.83 1.05 0.00 2.60 1.08 -1.24 0.65 117.51 122.47 2wdg h ILE 81 Ca 0.39 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 2wdg h ILE 81 Cb 0.32 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 2wdg h ILE 81 CO -0.23 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.28 2wdg n ALA 82 N -2.14 2.01 0.06 1.87 0.00 -0.89 -2.20 120.51 119.22 2wdg n ALA 82 Ca -0.05 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2wdg n ALA 82 Cb 0.05 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 2wdg n ALA 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdg n ARG 83 N -1.61 0.63 0.06 0.00 0.63 0.16 -3.47 116.66 113.05 2wdg n ARG 83 Ca 0.05 0.03 -0.11 0.00 -0.92 0.00 0.00 57.85 56.90 2wdg n ARG 83 Cb 0.27 -1.72 -0.13 0.00 0.45 0.00 0.00 32.46 31.32 2wdg n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdg h ALA 84 N 1.92 0.35 0.00 5.13 0.00 0.75 -2.99 119.26 124.42 2wdg h ALA 84 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2wdg h ALA 84 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wdg h ALA 84 CO 0.00 1.22 -0.19 1.47 0.00 0.00 0.00 179.25 181.76 2wdg n LEU 85 N -3.36 0.33 0.03 0.00 -0.00 -1.04 -1.14 117.00 111.81 2wdg n LEU 85 Ca -0.08 0.36 0.05 0.00 -0.00 0.00 0.00 56.01 56.33 2wdg n LEU 85 Cb 1.00 -0.38 -0.08 0.00 -0.00 0.00 0.00 43.42 43.96 2wdg n LEU 85 CO 0.49 -0.00 -0.38 0.55 -0.00 0.00 0.00 177.39 178.05 2wdg n VAL 86 N -1.68 0.78 -0.06 1.47 3.14 -1.23 -3.64 118.33 117.11 2wdg n VAL 86 Ca 0.06 -0.62 -0.04 0.00 -2.96 0.00 0.00 64.34 60.78 2wdg n VAL 86 Cb 0.36 -0.43 -0.04 0.00 -1.06 0.00 0.00 33.84 32.67 2wdg n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2wdg h GLN 87 N 0.00 0.00 -1.86 1.45 4.15 -1.41 -3.19 115.11 114.25 2wdg h GLN 87 Ca -0.11 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.96 2wdg h GLN 87 Cb 1.34 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.90 2wdg h GLN 87 CO 0.02 0.29 0.21 0.66 -1.93 0.00 0.00 178.83 178.08 2wdg n TYR 88 N -4.73 1.11 0.00 3.99 4.02 -0.29 -4.28 117.16 116.99 2wdg n TYR 88 Ca -0.03 -1.77 0.00 0.00 -0.01 0.00 0.00 57.90 56.08 2wdg n TYR 88 Cb 0.15 -1.22 0.00 0.00 -0.02 0.00 0.00 39.34 38.25 2wdg n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wdg n ASN 89 N 1.11 0.00 -0.75 7.72 3.02 -1.24 -4.89 115.26 120.23 2wdg n ASN 89 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2wdg n ASN 89 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2wdg n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wdg n PRO 90 N 0.00 0.27 -0.09 3.52 -0.04 -1.20 -1.68 135.00 135.78 2wdg n PRO 90 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2wdg n PRO 90 Cb 0.00 -1.25 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 2wdg n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdg n ASP 91 N 0.61 0.99 -1.65 3.54 8.00 -1.26 -4.50 116.55 122.28 2wdg n ASP 91 Ca 0.00 -0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.47 2wdg n ASP 91 Cb 0.10 0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 41.93 2wdg n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wdg n TYR 92 N -2.71 0.00 -0.02 1.24 4.02 -0.67 -3.58 117.16 115.44 2wdg n TYR 92 Ca -0.29 -0.86 -0.10 0.00 -0.01 0.00 0.00 57.90 56.63 2wdg n TYR 92 Cb 1.04 -0.57 -0.14 0.00 -0.02 0.00 0.00 39.34 39.65 2wdg n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wdg n ARG 93 N 1.72 0.65 -1.57 -0.72 3.00 -1.26 -3.76 116.66 114.72 2wdg n ARG 93 Ca 0.04 0.28 -0.40 0.00 -0.00 0.00 0.00 57.85 57.78 2wdg n ARG 93 Cb 0.45 -1.77 -0.02 0.00 0.00 0.00 0.00 32.46 31.12 2wdg n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdg n ALA 94 N -2.61 6.97 0.00 5.13 0.00 -1.23 -2.98 120.51 125.79 2wdg n ALA 94 Ca -0.19 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2wdg n ALA 94 Cb 1.06 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2wdg n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wdg n LYS 95 N 3.67 0.00 0.05 0.00 -0.00 -1.26 -4.88 118.16 115.74 2wdg n LYS 95 Ca 0.69 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.87 2wdg n LYS 95 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.27 2wdg n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wdg h LEU 96 N 0.00 0.57 0.00 -5.58 5.85 -1.62 -2.18 115.31 112.34 2wdg h LEU 96 Ca 0.00 -0.42 -0.23 0.00 0.84 0.00 0.00 57.88 58.07 2wdg h LEU 96 Cb 0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2wdg h LEU 96 CO 0.00 1.20 -1.42 1.17 -0.34 0.00 0.00 178.44 179.04 2wdg n LYS 97 N -3.80 0.55 0.42 1.25 4.81 -1.19 0.25 118.16 120.46 2wdg n LYS 97 Ca -0.06 0.47 -0.18 0.00 -0.87 0.00 0.00 58.31 57.67 2wdg n LYS 97 Cb 0.78 -1.66 -0.09 0.00 0.02 0.00 0.00 35.03 34.09 2wdg n LYS 97 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2wdg h PRO 98 N -1.00 -1.10 0.00 1.64 0.11 -1.77 0.46 132.00 130.35 2wdg h PRO 98 Ca -0.35 0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2wdg h PRO 98 Cb 1.22 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.58 2wdg h PRO 98 CO -0.21 -0.73 0.00 -0.11 -0.21 0.00 0.00 178.00 176.73 2wdg n LEU 99 N -5.28 0.00 -2.71 2.35 -0.00 -0.82 -4.90 117.00 105.64 2wdg n LEU 99 Ca -0.14 0.34 -0.03 0.00 -0.00 0.00 0.00 56.01 56.19 2wdg n LEU 99 Cb 0.47 -0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 43.52 2wdg n LEU 99 CO 0.33 -0.25 -0.56 0.61 -0.00 0.00 0.00 177.39 177.53 2wdg n GLY 100 N -0.57 -4.40 0.01 -3.96 0.00 0.15 -4.98 105.19 91.45 2wdg n GLY 100 Ca 0.04 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.08 2wdg n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdg n PHE 101 N 1.24 0.00 -3.62 1.61 0.99 0.71 -4.94 117.46 113.45 2wdg n PHE 101 Ca -0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 56.97 2wdg n PHE 101 Cb 0.31 0.02 -0.13 0.00 -1.00 0.00 0.00 39.48 38.69 2wdg n PHE 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2wdg s LEU 102 N 0.00 2.10 -0.29 4.37 1.98 -1.11 -4.74 118.68 120.98 2wdg s LEU 102 Ca 0.00 -2.49 -0.20 0.00 -2.89 0.00 0.00 54.13 48.55 2wdg s LEU 102 Cb 0.00 -0.81 0.15 0.00 0.66 0.00 0.00 46.19 46.19 2wdg s LEU 102 CO 0.00 -0.28 1.08 -0.89 -1.89 0.00 0.00 176.35 174.37 2wdg s THR 103 N 0.58 0.00 0.30 3.68 2.01 -1.26 -5.01 115.64 115.93 2wdg s THR 103 Ca 0.18 0.00 0.19 0.00 0.31 0.00 0.00 61.69 62.37 2wdg s THR 103 Cb -0.23 -1.00 0.30 0.00 0.01 0.00 0.00 72.50 71.58 2wdg s THR 103 CO -0.00 0.00 1.20 0.54 -0.69 0.00 0.00 174.62 175.67 2wdg n ARG 104 N 2.86 -0.04 -3.52 4.92 5.12 -1.26 -4.84 116.66 119.90 2wdg n ARG 104 Ca -0.15 1.02 -0.31 0.00 -1.93 0.00 0.00 57.85 56.48 2wdg n ARG 104 Cb 0.57 -1.89 0.02 0.00 -1.16 0.00 0.00 32.46 30.00 2wdg n ARG 104 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdg n ASP 105 N -4.57 -5.60 0.00 0.55 10.43 -1.26 -4.53 116.55 111.57 2wdg n ASP 105 Ca 0.30 -0.33 0.03 0.00 2.57 0.00 0.00 54.79 57.35 2wdg n ASP 105 Cb 1.05 -2.10 0.15 0.00 1.84 0.00 0.00 41.12 42.06 2wdg n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wdg n ALA 106 N -0.94 2.09 -2.09 2.24 0.00 -1.26 -4.62 120.51 115.92 2wdg n ALA 106 Ca -0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2wdg n ALA 106 Cb 0.66 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2wdg n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wdg s ARG 107 N -2.00 4.22 0.00 0.00 0.52 -1.26 -5.01 118.95 115.43 2wdg s ARG 107 Ca 0.08 2.10 -0.03 0.00 -0.52 0.00 0.00 55.73 57.36 2wdg s ARG 107 Cb 0.04 -3.74 -0.01 0.00 0.52 0.00 0.00 34.95 31.76 2wdg s ARG 107 CO 0.06 -0.72 0.05 0.14 0.02 0.00 0.00 175.30 174.85 2wdg s VAL 108 N 3.10 0.07 -0.63 3.52 -7.23 -1.26 -4.64 120.40 113.33 2wdg s VAL 108 Ca 0.69 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 2wdg s VAL 108 Cb -0.33 -0.26 -0.13 0.00 0.56 0.00 0.00 36.38 36.22 2wdg s VAL 108 CO 0.28 -0.32 2.47 0.52 -0.31 0.00 0.00 175.10 177.74 2wdg n VAL 109 N 1.99 0.00 -2.22 1.32 0.31 -1.26 -4.86 118.33 113.61 2wdg n VAL 109 Ca -0.20 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.38 2wdg n VAL 109 Cb 0.56 -1.79 -0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2wdg n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wdg s GLU 110 N 8.09 3.45 0.64 5.55 -1.05 -1.26 -4.98 118.70 129.14 2wdg s GLU 110 Ca 1.13 1.32 -0.11 0.00 -0.15 0.00 0.00 54.97 57.16 2wdg s GLU 110 Cb -0.68 -2.04 -0.10 0.00 -0.44 0.00 0.00 34.13 30.86 2wdg s GLU 110 CO 0.39 -0.72 -0.50 -2.13 0.95 0.00 0.00 175.26 173.24 2wdg n ARG 111 N -1.61 0.00 -4.55 -4.83 0.63 -1.26 -4.89 116.66 100.15 2wdg n ARG 111 Ca 0.09 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.70 2wdg n ARG 111 Cb 0.52 -0.66 -0.11 0.00 0.45 0.00 0.00 32.46 32.66 2wdg n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wdg s LYS 112 N -1.27 2.55 0.57 -0.14 2.20 -1.26 -4.45 119.74 117.93 2wdg s LYS 112 Ca 0.27 -0.71 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 2wdg s LYS 112 Cb -0.13 -2.48 0.07 0.00 -1.51 0.00 0.00 37.83 33.78 2wdg s LYS 112 CO 0.54 0.61 0.59 1.63 -0.36 0.00 0.00 175.35 178.36 2wdg n LYS 113 N 1.76 0.64 -3.68 4.03 4.01 -1.26 -4.85 118.16 118.81 2wdg n LYS 113 Ca -0.16 -3.33 -0.34 0.00 -0.51 0.00 0.00 58.31 53.96 2wdg n LYS 113 Cb 0.53 0.10 -0.05 0.00 -0.51 0.00 0.00 35.03 35.09 2wdg n LYS 113 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2wdg s TYR 114 N -2.70 3.58 -1.81 2.13 -0.00 -1.26 -3.96 117.35 113.32 2wdg s TYR 114 Ca 0.45 0.66 0.00 0.00 -0.00 0.00 0.00 57.07 58.17 2wdg s TYR 114 Cb -0.04 -2.06 0.00 0.00 -0.00 0.00 0.00 41.96 39.87 2wdg s TYR 114 CO 0.28 0.57 0.00 0.41 -0.00 0.00 0.00 175.55 176.81 2wdg n GLY 115 N 0.98 1.59 2.64 5.49 0.00 -1.26 -4.85 105.19 109.78 2wdg n GLY 115 Ca -0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 2wdg n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdg n LYS 116 N -2.51 1.64 0.00 1.61 4.76 -1.25 -4.38 118.16 118.04 2wdg n LYS 116 Ca -0.17 -3.50 0.00 0.00 -2.87 0.00 0.00 58.31 51.76 2wdg n LYS 116 Cb 0.57 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 2wdg n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdg n HIS 117 N -0.23 0.00 -3.22 2.13 8.25 -1.13 -1.22 115.22 119.81 2wdg n HIS 117 Ca 0.14 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.36 2wdg n HIS 117 Cb 0.80 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.84 2wdg n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdg n LYS 118 N 0.00 0.63 0.00 -0.41 5.02 -1.25 -4.97 118.16 117.18 2wdg n LYS 118 Ca 0.00 -3.20 0.00 0.00 -2.02 0.00 0.00 58.31 53.09 2wdg n LYS 118 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2wdg n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdg n ALA 119 N 1.63 0.00 0.00 7.82 0.00 -0.36 -2.96 120.51 126.65 2wdg n ALA 119 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2wdg n ALA 119 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wdg n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdg n ARG 120 N 0.00 0.00 -1.52 0.00 1.74 -1.25 -4.48 116.66 111.15 2wdg n ARG 120 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2wdg n ARG 120 Cb 0.00 -0.44 -0.12 0.00 -1.02 0.00 0.00 32.46 30.88 2wdg n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wdg n ARG 121 N -2.04 0.36 -2.67 5.56 0.00 -1.16 -4.88 116.66 111.84 2wdg n ARG 121 Ca 0.00 -0.09 -0.36 0.00 -0.00 0.00 0.00 57.85 57.40 2wdg n ARG 121 Cb 0.11 -2.21 -0.05 0.00 0.00 0.00 0.00 32.46 30.31 2wdg n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdg s ALA 122 N 9.14 3.12 0.60 5.13 0.00 -1.26 -2.83 121.76 135.66 2wdg s ALA 122 Ca 1.20 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 2wdg s ALA 122 Cb -0.77 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 2wdg s ALA 122 CO 0.40 -0.03 1.12 -1.25 0.00 0.00 0.00 175.76 176.00 2wdg s PRO 123 N -2.47 3.09 -0.01 0.00 0.04 -1.26 -4.91 135.00 129.48 2wdg s PRO 123 Ca 0.56 1.49 -0.37 0.00 0.04 0.00 0.00 61.00 62.73 2wdg s PRO 123 Cb -0.19 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 2wdg s PRO 123 CO 0.24 -1.04 1.56 1.04 0.04 0.00 0.00 177.00 178.84 2wdg n GLN 124 N -1.85 1.50 -2.19 4.56 6.02 -1.26 -4.89 117.38 119.27 2wdg n GLN 124 Ca 0.11 0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 57.22 2wdg n GLN 124 Cb 0.51 -2.25 -0.02 0.00 1.02 0.00 0.00 30.24 29.50 2wdg n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2wdg s TYR 125 N 1.81 2.27 0.00 1.08 6.04 -1.26 -4.96 117.35 122.33 2wdg s TYR 125 Ca 0.88 0.62 0.00 0.00 0.04 0.00 0.00 57.07 58.61 2wdg s TYR 125 Cb -0.89 -3.94 0.00 0.00 -1.04 0.00 0.00 41.96 36.09 2wdg s TYR 125 CO 0.50 -2.64 0.08 0.43 -1.54 0.00 0.00 175.55 172.38 2wdg n SER 126 N 8.11 0.00 0.00 4.32 7.64 -1.26 -4.85 113.62 127.57 2wdg n SER 126 Ca 0.18 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2wdg n SER 126 Cb 0.45 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2wdg n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wdg n LYS 127 N -0.54 0.00 0.00 1.43 4.81 -1.26 -5.34 118.16 117.26 2wdg n LYS 127 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 2wdg n LYS 127 Cb 0.00 -0.65 0.59 0.00 0.02 0.00 0.00 35.03 34.99 2wdg n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46