#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwk s ALA 5 N 0.00 2.99 -0.11 7.54 0.00 -1.26 -4.98 121.76 125.94 1gwk s ALA 5 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 1gwk s ALA 5 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1gwk s ALA 5 CO 0.00 -0.14 0.53 0.99 0.00 0.00 0.00 175.76 177.14 1gwk s THR 6 N -2.28 5.15 -0.19 0.00 2.01 -1.26 -4.93 115.64 114.14 1gwk s THR 6 Ca 0.62 1.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.63 1gwk s THR 6 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1gwk s THR 6 CO 0.21 0.30 0.01 -0.31 -0.69 0.00 0.00 174.62 174.14 1gwk s TYR 7 N 0.74 3.07 -0.29 4.92 1.51 -1.26 -2.44 117.35 123.61 1gwk s TYR 7 Ca 0.28 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1gwk s TYR 7 Cb -0.16 -2.06 0.05 0.00 -0.11 0.00 0.00 41.96 39.68 1gwk s TYR 7 CO 0.12 -0.13 -0.02 0.99 -1.11 0.00 0.00 175.55 175.40 1gwk s THR 8 N 0.77 2.91 -0.14 -0.71 2.01 0.39 -4.99 115.64 115.87 1gwk s THR 8 Ca 0.01 -1.35 -0.29 0.00 0.31 0.00 0.00 61.69 60.36 1gwk s THR 8 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1gwk s THR 8 CO 0.02 -0.05 1.29 -0.69 -0.69 0.00 0.00 174.62 174.50 1gwk s VAL 9 N 1.25 4.21 -0.16 3.82 1.01 -1.26 -0.98 120.40 128.28 1gwk s VAL 9 Ca -0.05 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.22 1gwk s VAL 9 Cb -0.19 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 1gwk s VAL 9 CO -0.02 -0.11 0.22 0.40 0.00 0.00 0.00 175.10 175.59 1gwk h ILE 10 N 5.44 0.79 -3.43 2.22 2.04 -0.92 -3.49 117.51 120.16 1gwk h ILE 10 Ca -0.29 -1.80 -0.06 0.00 1.00 0.00 0.00 64.86 63.71 1gwk h ILE 10 Cb 1.12 1.70 -0.14 0.00 -0.74 0.00 0.00 36.82 38.76 1gwk h ILE 10 CO 0.96 0.27 -0.15 0.72 0.00 0.00 0.00 178.15 179.94 1gwk s PHE 11 N -2.20 -0.13 0.00 1.37 -0.71 -1.04 -4.61 117.98 110.66 1gwk s PHE 11 Ca -0.20 -0.17 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1gwk s PHE 11 Cb 0.02 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1gwk s PHE 11 CO 0.46 -0.64 0.00 1.63 -1.34 0.00 0.00 175.22 175.33 1gwk n LYS 12 N -0.04 0.00 -3.67 1.99 5.02 -1.26 -0.33 118.16 119.87 1gwk n LYS 12 Ca -0.16 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 1gwk n LYS 12 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.57 1gwk n LYS 12 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1gwk s ASN 13 N -0.23 6.53 -0.02 4.39 0.01 -1.26 -1.31 114.94 123.05 1gwk s ASN 13 Ca 0.00 0.63 0.03 0.00 -0.71 0.00 0.00 52.86 52.82 1gwk s ASN 13 Cb 0.00 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 1gwk s ASN 13 CO 0.00 0.30 -0.11 0.00 -1.51 0.00 0.00 177.10 175.79 1gwk s ALA 14 N -0.66 2.84 0.00 0.60 0.00 0.48 -4.97 121.76 120.04 1gwk s ALA 14 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1gwk s ALA 14 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1gwk s ALA 14 CO 0.07 0.58 0.74 -1.13 0.00 0.00 0.00 175.76 176.02 1gwk n SER 15 N 1.93 1.23 -2.49 0.00 3.41 -1.26 -4.16 113.62 112.28 1gwk n SER 15 Ca -0.17 -1.54 0.01 0.00 -0.26 0.00 0.00 58.87 56.92 1gwk n SER 15 Cb 0.52 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1gwk n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gwk n GLY 16 N -0.27 0.42 3.71 5.00 0.00 -1.26 -4.93 105.19 107.86 1gwk n GLY 16 Ca 0.00 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1gwk n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gwk n LEU 17 N 0.00 5.63 -4.75 0.99 4.77 -1.26 -4.94 117.00 117.45 1gwk n LEU 17 Ca 0.02 0.82 -0.37 0.00 -0.03 0.00 0.00 56.01 56.45 1gwk n LEU 17 Cb 0.31 -1.53 0.04 0.00 -2.33 0.00 0.00 43.42 39.91 1gwk n LEU 17 CO 0.08 -1.16 0.90 -2.84 -1.33 0.00 0.00 177.39 173.04 1gwk s PRO 18 N -3.27 2.99 0.19 3.23 0.02 -1.26 -4.90 135.00 132.00 1gwk s PRO 18 Ca 0.82 2.00 -0.32 0.00 0.02 0.00 0.00 61.00 63.52 1gwk s PRO 18 Cb -0.39 -2.05 -0.11 0.00 0.02 0.00 0.00 34.50 31.97 1gwk s PRO 18 CO 0.41 -1.23 1.65 -0.80 -0.33 0.00 0.00 177.00 176.70 1gwk s ASN 19 N -1.33 6.47 0.00 2.53 0.01 -1.26 -1.63 114.94 119.73 1gwk s ASN 19 Ca 0.76 2.76 0.00 0.00 -0.71 0.00 0.00 52.86 55.66 1gwk s ASN 19 Cb -0.35 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.71 1gwk s ASN 19 CO 0.39 -0.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.68 1gwk n GLY 20 N 3.88 0.62 3.33 0.66 0.00 -1.26 -5.05 105.19 107.37 1gwk n GLY 20 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1gwk n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gwk s TYR 21 N -2.18 2.29 0.47 1.61 1.51 -0.64 -1.00 117.35 119.41 1gwk s TYR 21 Ca 0.00 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1gwk s TYR 21 Cb 0.00 -1.39 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1gwk s TYR 21 CO 0.00 0.09 0.36 0.34 -1.11 0.00 0.00 175.55 175.23 1gwk s ASP 22 N -1.10 4.77 -0.21 2.29 -1.08 0.33 -4.66 116.67 117.00 1gwk s ASP 22 Ca 0.11 -1.01 0.01 0.00 -0.52 0.00 0.00 52.55 51.14 1gwk s ASP 22 Cb -0.10 -0.15 0.03 0.00 -1.46 0.00 0.00 42.92 41.24 1gwk s ASP 22 CO 0.01 -0.83 -0.15 0.21 0.52 0.00 0.00 175.17 174.94 1gwk s ASN 23 N -4.16 3.72 -0.21 -0.34 2.47 -1.26 -0.39 114.94 114.77 1gwk s ASN 23 Ca 0.42 -0.86 0.15 0.00 0.42 0.00 0.00 52.86 52.99 1gwk s ASN 23 Cb -0.02 -1.54 0.57 0.00 -1.45 0.00 0.00 41.25 38.81 1gwk s ASN 23 CO 0.25 -0.07 1.48 0.79 -3.72 0.00 0.00 177.10 175.83 1gwk n TRP 24 N 4.59 1.17 -0.22 0.43 7.02 0.05 -4.93 117.44 125.56 1gwk n TRP 24 Ca -0.18 -0.99 0.00 0.00 -1.02 0.00 0.00 57.50 55.31 1gwk n TRP 24 Cb 0.48 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 1gwk n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gwk n GLY 25 N -0.49 -0.94 3.36 6.99 0.00 -1.25 -4.75 105.19 108.11 1gwk n GLY 25 Ca 0.25 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 1gwk n GLY 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1gwk s TRP 26 N -0.23 -0.36 -1.51 1.61 -2.14 0.16 -4.92 118.94 111.55 1gwk s TRP 26 Ca 0.00 0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.86 1gwk s TRP 26 Cb 0.00 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.77 1gwk s TRP 26 CO 0.00 -0.77 0.00 0.41 -2.66 0.00 0.00 176.95 173.93 1gwk n GLY 27 N -0.28 -0.05 3.13 3.67 0.00 -1.26 -1.37 105.19 109.03 1gwk n GLY 27 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1gwk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwk s THR 29 N -3.95 2.56 -0.04 0.00 2.01 -0.88 -4.98 115.64 110.36 1gwk s THR 29 Ca 0.16 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1gwk s THR 29 Cb 0.08 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1gwk s THR 29 CO -0.04 0.47 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.53 1gwk s LEU 30 N -1.00 3.15 0.28 4.42 1.02 -1.26 -0.65 118.68 124.64 1gwk s LEU 30 Ca 0.12 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.23 1gwk s LEU 30 Cb -0.10 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 1gwk s LEU 30 CO 0.02 0.33 0.24 -0.94 0.02 0.00 0.00 176.35 176.01 1gwk s SER 31 N -1.07 1.10 -0.04 2.29 1.04 -0.35 -5.00 113.70 111.66 1gwk s SER 31 Ca 0.14 -1.61 -0.03 0.00 0.48 0.00 0.00 55.95 54.93 1gwk s SER 31 Cb -0.11 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1gwk s SER 31 CO 0.04 -0.99 0.11 -0.31 0.98 0.00 0.00 173.24 173.06 1gwk s TYR 32 N -3.69 -0.12 -0.21 5.02 2.02 -1.26 -1.01 117.35 118.11 1gwk s TYR 32 Ca 0.40 0.31 -0.28 0.00 -0.37 0.00 0.00 57.07 57.13 1gwk s TYR 32 Cb 0.04 -0.00 0.12 0.00 -0.40 0.00 0.00 41.96 41.72 1gwk s TYR 32 CO 0.22 -0.08 0.97 -0.47 -1.57 0.00 0.00 175.55 174.62 1gwk s TYR 33 N 0.33 -0.46 -1.38 2.71 5.04 -1.17 -4.96 117.35 117.46 1gwk s TYR 33 Ca -0.02 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1gwk s TYR 33 Cb -0.04 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.67 1gwk s TYR 33 CO -0.01 -0.32 0.00 0.41 -1.34 0.00 0.00 175.55 174.29 1gwk n GLY 34 N 1.49 0.13 3.11 8.97 0.00 -1.26 -1.26 105.19 116.38 1gwk n GLY 34 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1gwk n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwk n GLY 35 N -0.67 0.84 0.00 -0.02 0.00 -1.26 -4.97 105.19 99.10 1gwk n GLY 35 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1gwk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwk n ALA 36 N 1.00 0.00 -3.26 4.61 0.00 -0.39 -0.39 120.51 122.09 1gwk n ALA 36 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1gwk n ALA 36 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1gwk n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gwk s ILE 38 N 2.15 -0.23 -0.17 0.00 1.01 -0.18 -3.04 121.20 120.74 1gwk s ILE 38 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 1gwk s ILE 38 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1gwk s ILE 38 CO 0.00 0.00 0.11 -0.63 0.00 0.00 0.00 174.94 174.42 1gwk s ILE 39 N 2.26 5.22 -0.67 2.92 1.01 0.72 -1.22 121.20 131.44 1gwk s ILE 39 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1gwk s ILE 39 Cb -0.03 -3.34 0.17 0.00 0.01 0.00 0.00 42.46 39.27 1gwk s ILE 39 CO -0.16 0.50 0.47 0.20 0.00 0.00 0.00 174.94 175.95 1gwk s ASN 40 N -0.08 5.02 0.64 3.58 0.01 0.18 -2.53 114.94 121.76 1gwk s ASN 40 Ca 0.09 -3.32 -0.15 0.00 -0.71 0.00 0.00 52.86 48.77 1gwk s ASN 40 Cb -0.12 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1gwk s ASN 40 CO 0.00 -0.22 1.09 -2.84 -1.51 0.00 0.00 177.10 173.62 1gwk s PRO 41 N -0.73 2.98 -0.12 -0.60 0.02 -1.26 -2.08 135.00 133.20 1gwk s PRO 41 Ca 0.21 1.33 -0.05 0.00 0.02 0.00 0.00 61.00 62.50 1gwk s PRO 41 Cb -0.15 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1gwk s PRO 41 CO -0.07 -1.10 0.07 -0.65 -0.33 0.00 0.00 177.00 174.92 1gwk s GLN 42 N -4.09 3.42 0.30 5.54 -0.21 0.31 -4.43 119.66 120.50 1gwk s GLN 42 Ca 0.66 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.46 1gwk s GLN 42 Cb -0.19 -3.06 -0.12 0.00 1.00 0.00 0.00 33.01 30.64 1gwk s GLN 42 CO 0.40 0.63 1.52 0.39 -2.12 0.00 0.00 175.29 176.11 1gwk n GLU 43 N 2.43 2.53 -0.12 2.91 1.02 -1.26 -2.28 120.64 125.86 1gwk n GLU 43 Ca -0.19 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1gwk n GLU 43 Cb 0.54 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 1gwk n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gwk n GLY 44 N 1.81 1.65 0.01 0.62 0.00 -0.08 -4.88 105.19 104.32 1gwk n GLY 44 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1gwk n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gwk n LYS 45 N -2.00 0.20 -4.11 1.61 4.76 -0.97 -4.99 118.16 112.67 1gwk n LYS 45 Ca 0.00 -0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 1gwk n LYS 45 Cb 0.00 -1.53 -0.04 0.00 -1.84 0.00 0.00 35.03 31.62 1gwk n LYS 45 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1gwk n TYR 46 N -1.77 -1.61 -1.68 2.13 4.02 -1.26 -4.84 117.16 112.14 1gwk n TYR 46 Ca 0.02 0.74 -0.35 0.00 -0.01 0.00 0.00 57.90 58.31 1gwk n TYR 46 Cb 0.40 -3.30 0.07 0.00 -0.02 0.00 0.00 39.34 36.48 1gwk n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1gwk s GLY 47 N -3.99 2.45 -0.00 2.72 0.00 -1.26 -4.54 107.32 102.69 1gwk s GLY 47 Ca 0.27 0.87 -0.01 0.00 0.00 0.00 0.00 44.72 45.85 1gwk s GLY 47 CO 0.92 1.26 0.02 0.00 0.00 0.00 0.00 173.10 175.30 1gwk s ALA 48 N -1.91 -0.03 0.21 3.20 0.00 -0.47 -1.33 121.76 121.44 1gwk s ALA 48 Ca 0.74 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1gwk s ALA 48 Cb -0.28 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 1gwk s ALA 48 CO 0.40 -0.06 0.88 0.08 0.00 0.00 0.00 175.76 177.07 1gwk s VAL 49 N -0.44 4.18 -0.33 0.00 1.01 -0.88 -0.67 120.40 123.28 1gwk s VAL 49 Ca -0.05 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 1gwk s VAL 49 Cb -0.03 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 32.20 1gwk s VAL 49 CO -0.00 0.50 0.15 -0.55 0.00 0.00 0.00 175.10 175.20 1gwk s SER 50 N -1.14 3.61 -0.20 3.32 0.15 -1.26 -1.62 113.70 116.56 1gwk s SER 50 Ca 0.39 -1.74 -0.28 0.00 0.70 0.00 0.00 55.95 55.03 1gwk s SER 50 Cb -0.25 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1gwk s SER 50 CO 0.30 -0.39 0.98 -0.76 1.20 0.00 0.00 173.24 174.57 1gwk s LEU 51 N 1.53 4.14 -0.24 3.45 1.43 0.39 -0.77 118.68 128.61 1gwk s LEU 51 Ca 0.12 1.33 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1gwk s LEU 51 Cb -0.19 -3.45 0.02 0.00 0.03 0.00 0.00 46.19 42.60 1gwk s LEU 51 CO -0.21 -0.57 -0.07 -0.75 0.23 0.00 0.00 176.35 174.98 1gwk s LYS 52 N 2.78 2.91 -0.14 1.70 2.47 0.48 -1.86 119.74 128.08 1gwk s LYS 52 Ca 0.43 -0.92 -0.29 0.00 -1.56 0.00 0.00 55.97 53.62 1gwk s LYS 52 Cb -0.16 -2.96 -0.03 0.00 -1.46 0.00 0.00 37.83 33.22 1gwk s LYS 52 CO 0.09 -0.36 1.41 0.50 0.16 0.00 0.00 175.35 177.15 1gwk s ARG 53 N 1.34 4.17 0.26 4.03 3.52 -0.20 0.12 118.95 132.20 1gwk s ARG 53 Ca 0.01 1.81 -0.04 0.00 -0.13 0.00 0.00 55.73 57.38 1gwk s ARG 53 Cb -0.16 -3.86 0.32 0.00 -1.56 0.00 0.00 34.95 29.69 1gwk s ARG 53 CO -0.05 -0.81 1.84 -0.91 -0.81 0.00 0.00 175.30 174.56 1gwk h ASN 54 N 8.85 0.94 -3.22 -2.12 -0.26 -1.40 -3.42 115.58 114.96 1gwk h ASN 54 Ca -0.31 -0.13 -0.45 0.00 -0.56 0.00 0.00 56.30 54.86 1gwk h ASN 54 Cb 1.13 -0.24 -0.39 0.00 -1.06 0.00 0.00 38.32 37.75 1gwk h ASN 54 CO 0.97 0.83 -0.76 -0.55 -1.06 0.00 0.00 177.43 176.86 1gwk s SER 55 N -6.44 1.98 0.00 5.81 0.15 -1.26 -5.11 113.70 108.82 1gwk s SER 55 Ca -0.11 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1gwk s SER 55 Cb 0.16 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1gwk s SER 55 CO 0.81 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.59 1gwk n GLY 56 N 5.20 -2.54 3.32 9.45 0.00 -1.26 -5.11 105.19 114.24 1gwk n GLY 56 Ca -0.07 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 1gwk n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gwk s SER 57 N -1.47 -0.28 0.11 1.61 0.01 -1.26 -4.68 113.70 107.74 1gwk s SER 57 Ca 0.00 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.34 1gwk s SER 57 Cb 0.00 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1gwk s SER 57 CO 0.00 -0.62 0.11 -0.36 0.41 0.00 0.00 173.24 172.77 1gwk s PHE 58 N -2.21 3.19 -0.14 2.43 0.08 -0.30 -4.92 117.98 116.12 1gwk s PHE 58 Ca -0.07 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1gwk s PHE 58 Cb -0.01 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1gwk s PHE 58 CO -0.01 0.52 -0.16 1.03 -0.10 0.00 0.00 175.22 176.50 1gwk s ARG 59 N -2.64 2.45 2.05 0.44 0.52 -1.26 -0.63 118.95 119.88 1gwk s ARG 59 Ca 0.30 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1gwk s ARG 59 Cb -0.11 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1gwk s ARG 59 CO 0.23 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1gwk n GLY 60 N 4.47 2.45 7.00 -3.53 0.00 -1.26 -4.82 105.19 109.50 1gwk n GLY 60 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1gwk n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwk n GLY 61 N 0.00 2.84 3.40 -0.02 0.00 -1.25 -4.65 105.19 105.51 1gwk n GLY 61 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1gwk n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gwk s SER 62 N -4.00 -0.26 -0.08 1.61 1.04 0.08 -0.12 113.70 111.96 1gwk s SER 62 Ca 0.00 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.10 1gwk s SER 62 Cb 0.00 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1gwk s SER 62 CO 0.00 -0.94 -0.23 -0.76 0.98 0.00 0.00 173.24 172.29 1gwk s LEU 63 N -2.83 2.16 -0.04 2.42 1.43 0.36 -1.41 118.68 120.77 1gwk s LEU 63 Ca 0.06 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1gwk s LEU 63 Cb 0.01 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1gwk s LEU 63 CO -0.08 0.20 -0.23 -0.60 0.23 0.00 0.00 176.35 175.87 1gwk s ARG 64 N 0.09 2.31 -0.03 1.70 3.00 0.12 -0.41 118.95 125.73 1gwk s ARG 64 Ca -0.11 -0.87 -0.29 0.00 -1.00 0.00 0.00 55.73 53.46 1gwk s ARG 64 Cb -0.16 -2.15 0.10 0.00 0.00 0.00 0.00 34.95 32.74 1gwk s ARG 64 CO 0.06 0.53 0.83 -0.59 0.00 0.00 0.00 175.30 176.14 1gwk s PHE 65 N -0.52 -0.44 0.50 5.12 -0.71 -0.70 -0.45 117.98 120.78 1gwk s PHE 65 Ca 0.07 0.51 0.07 0.00 -1.04 0.00 0.00 56.93 56.54 1gwk s PHE 65 Cb -0.11 0.49 0.04 0.00 -1.21 0.00 0.00 43.02 42.23 1gwk s PHE 65 CO 0.00 -0.55 0.68 -0.51 -1.34 0.00 0.00 175.22 173.51 1gwk s ASP 66 N -1.91 5.39 0.07 1.98 1.01 -0.22 -0.56 116.67 122.42 1gwk s ASP 66 Ca -0.00 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.83 1gwk s ASP 66 Cb -0.01 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.44 1gwk s ASP 66 CO -0.03 -1.02 -0.06 -1.59 0.21 0.00 0.00 175.17 172.68 1gwk s LYS 68 N -4.54 0.67 -0.29 8.23 -2.85 -0.90 -1.99 119.74 118.08 1gwk s LYS 68 Ca 0.58 -1.12 -0.19 0.00 -1.00 0.00 0.00 55.97 54.23 1gwk s LYS 68 Cb -0.09 -0.11 0.13 0.00 -2.06 0.00 0.00 37.83 35.70 1gwk s LYS 68 CO 0.36 -0.03 0.94 0.54 0.10 0.00 0.00 175.35 177.27 1gwk s ASN 69 N -2.56 -0.56 0.45 0.03 4.22 -0.55 -1.13 114.94 114.83 1gwk s ASN 69 Ca 0.04 0.95 0.25 0.00 -2.14 0.00 0.00 52.86 51.96 1gwk s ASN 69 Cb 0.01 1.14 0.85 0.00 1.28 0.00 0.00 41.25 44.54 1gwk s ASN 69 CO -0.04 -0.16 1.79 -0.33 -2.04 0.00 0.00 177.10 176.32 1gwk h GLU 70 N 5.58 0.00 -4.88 3.55 5.08 -1.48 -0.85 114.58 121.59 1gwk h GLU 70 Ca -0.28 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.63 1gwk h GLU 70 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1gwk h GLU 70 CO 0.16 0.16 -0.52 0.20 -1.00 0.00 0.00 179.01 178.01 1gwk s GLY 71 N -4.26 2.24 0.35 -3.84 0.00 -1.26 -4.79 107.32 95.75 1gwk s GLY 71 Ca 0.02 -1.89 -0.29 0.00 0.00 0.00 0.00 44.72 42.56 1gwk s GLY 71 CO 0.63 -1.52 1.48 0.54 0.00 0.00 0.00 173.10 174.23 1gwk s LYS 72 N -3.60 4.16 -0.06 2.90 1.02 -1.26 -4.14 119.74 118.76 1gwk s LYS 72 Ca 0.38 2.50 0.06 0.00 0.02 0.00 0.00 55.97 58.93 1gwk s LYS 72 Cb 0.03 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1gwk s LYS 72 CO 0.23 -0.50 -0.24 0.08 -0.92 0.00 0.00 175.35 174.00 1gwk s VAL 73 N -0.84 2.01 -0.20 3.17 1.01 0.40 -2.77 120.40 123.18 1gwk s VAL 73 Ca 0.55 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1gwk s VAL 73 Cb -0.45 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1gwk s VAL 73 CO 0.57 0.56 0.10 -0.75 0.00 0.00 0.00 175.10 175.58 1gwk s LYS 74 N -0.15 4.04 -0.22 2.72 2.20 -0.35 -0.07 119.74 127.91 1gwk s LYS 74 Ca -0.04 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.19 1gwk s LYS 74 Cb -0.14 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1gwk s LYS 74 CO 0.04 0.22 0.10 0.42 -0.36 0.00 0.00 175.35 175.77 1gwk s ILE 75 N 0.54 4.89 0.09 5.43 -1.09 -0.48 -0.76 121.20 129.82 1gwk s ILE 75 Ca 0.05 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 1gwk s ILE 75 Cb -0.12 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1gwk s ILE 75 CO 0.00 0.38 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.27 1gwk s LEU 76 N 0.96 2.49 0.16 2.97 1.02 -0.68 -0.39 118.68 125.21 1gwk s LEU 76 Ca 0.05 -0.97 0.10 0.00 0.02 0.00 0.00 54.13 53.34 1gwk s LEU 76 Cb -0.14 -0.07 -0.04 0.00 0.02 0.00 0.00 46.19 45.96 1gwk s LEU 76 CO 0.03 -0.45 -0.22 0.68 0.02 0.00 0.00 176.35 176.42 1gwk s VAL 77 N -3.45 2.55 0.05 -1.59 -7.23 -1.00 -0.01 120.40 109.72 1gwk s VAL 77 Ca 0.10 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1gwk s VAL 77 Cb 0.04 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1gwk s VAL 77 CO -0.04 -0.01 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.02 1gwk s GLU 78 N -2.40 0.65 -0.27 4.82 2.02 -0.56 -1.50 118.70 121.46 1gwk s GLU 78 Ca 0.19 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1gwk s GLU 78 Cb -0.09 -0.52 -0.02 0.00 0.10 0.00 0.00 34.13 33.59 1gwk s GLU 78 CO 0.10 0.11 0.10 1.21 0.02 0.00 0.00 175.26 176.79 1gwk s ASN 79 N -1.60 5.30 0.21 -0.19 3.84 -0.28 -2.11 114.94 120.10 1gwk s ASN 79 Ca -0.06 -0.28 0.04 0.00 0.21 0.00 0.00 52.86 52.76 1gwk s ASN 79 Cb -0.10 -1.95 0.14 0.00 -0.55 0.00 0.00 41.25 38.79 1gwk s ASN 79 CO 0.01 -0.08 1.48 0.28 -2.79 0.00 0.00 177.10 176.01 1gwk h SER 80 N 8.27 0.24 -0.08 -4.21 0.02 -1.89 -0.83 113.55 115.08 1gwk h SER 80 Ca -0.36 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 1gwk h SER 80 Cb 1.17 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1gwk h SER 80 CO 0.58 0.88 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.78 1gwk h GLU 81 N 0.13 0.17 -0.00 3.45 5.08 -1.97 -3.06 114.58 118.38 1gwk h GLU 81 Ca -0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1gwk h GLU 81 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1gwk h GLU 81 CO 0.11 0.56 -0.16 0.00 -1.00 0.00 0.00 179.01 178.52 1gwk n ALA 82 N -2.36 2.84 -3.69 3.43 0.00 -1.21 -4.94 120.51 114.58 1gwk n ALA 82 Ca -0.07 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 1gwk n ALA 82 Cb 0.28 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.45 1gwk n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gwk n ASP 83 N -1.05 -3.06 -3.99 0.00 2.03 -0.37 -5.00 116.55 105.11 1gwk n ASP 83 Ca 0.12 -0.91 -0.19 0.00 0.52 0.00 0.00 54.79 54.33 1gwk n ASP 83 Cb 0.30 -3.75 -0.15 0.00 -0.72 0.00 0.00 41.12 36.80 1gwk n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1gwk s GLU 84 N -5.92 0.81 0.08 -0.67 2.12 -0.90 -5.01 118.70 109.22 1gwk s GLU 84 Ca 0.22 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.31 1gwk s GLU 84 Cb -0.07 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 1gwk s GLU 84 CO 0.84 0.11 0.09 0.15 -0.54 0.00 0.00 175.26 175.91 1gwk s LYS 85 N 0.13 2.90 -0.05 4.30 1.02 -1.26 -1.13 119.74 125.65 1gwk s LYS 85 Ca -0.02 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 1gwk s LYS 85 Cb -0.07 -2.74 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1gwk s LYS 85 CO 0.00 0.57 0.04 0.12 -0.92 0.00 0.00 175.35 175.16 1gwk s PHE 86 N -1.40 0.21 -0.00 3.18 5.36 -0.56 -5.01 117.98 119.75 1gwk s PHE 86 Ca 0.30 0.14 -0.30 0.00 -0.96 0.00 0.00 56.93 56.11 1gwk s PHE 86 Cb -0.12 -0.54 -0.05 0.00 -0.34 0.00 0.00 43.02 41.97 1gwk s PHE 86 CO 0.22 -0.21 1.24 -2.00 -1.46 0.00 0.00 175.22 173.01 1gwk s GLU 87 N 2.02 4.37 -0.22 10.12 2.12 -1.26 -2.37 118.70 133.47 1gwk s GLU 87 Ca 0.04 1.77 -0.07 0.00 0.36 0.00 0.00 54.97 57.07 1gwk s GLU 87 Cb -0.12 -3.48 -0.18 0.00 0.26 0.00 0.00 34.13 30.61 1gwk s GLU 87 CO -0.03 -0.40 -0.06 0.28 -0.54 0.00 0.00 175.26 174.51 1gwk n VAL 88 N 4.37 1.58 -3.56 3.70 0.31 0.48 -4.99 118.33 120.21 1gwk n VAL 88 Ca 0.11 -0.48 -0.09 0.00 -0.01 0.00 0.00 64.34 63.87 1gwk n VAL 88 Cb 0.46 -1.69 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 1gwk n VAL 88 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1gwk s GLU 89 N -2.51 0.62 -0.18 5.55 2.56 -1.19 -4.97 118.70 118.59 1gwk s GLU 89 Ca -0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 54.97 54.60 1gwk s GLU 89 Cb 0.09 0.29 -0.00 0.00 2.00 0.00 0.00 34.13 36.51 1gwk s GLU 89 CO 0.62 -0.23 -0.12 0.99 -0.56 0.00 0.00 175.26 175.95 1gwk s THR 90 N -1.93 2.81 -0.17 -1.70 2.01 -1.26 -1.38 115.64 114.02 1gwk s THR 90 Ca 0.02 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1gwk s THR 90 Cb -0.01 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1gwk s THR 90 CO -0.03 0.49 0.03 -0.63 -0.69 0.00 0.00 174.62 173.79 1gwk s ILE 91 N 1.10 4.47 0.63 1.82 1.01 0.90 -4.94 121.20 126.20 1gwk s ILE 91 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1gwk s ILE 91 Cb -0.14 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1gwk s ILE 91 CO -0.04 0.47 1.08 -0.44 0.00 0.00 0.00 174.94 176.02 1gwk s SER 92 N 0.37 5.44 0.36 3.58 0.01 -1.26 -0.45 113.70 121.75 1gwk s SER 92 Ca 0.01 1.90 -0.27 0.00 1.31 0.00 0.00 55.95 58.90 1gwk s SER 92 Cb -0.13 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.44 1gwk s SER 92 CO 0.01 -1.40 1.16 -2.65 0.41 0.00 0.00 173.24 170.77 1gwk n PRO 93 N -2.26 1.75 -3.68 12.44 -0.02 -1.26 -4.84 135.00 137.13 1gwk n PRO 93 Ca 0.09 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1gwk n PRO 93 Cb 0.52 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1gwk n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gwk s SER 94 N -0.50 -0.62 0.00 2.55 0.15 -0.32 -5.00 113.70 109.96 1gwk s SER 94 Ca 0.59 1.04 0.28 0.00 0.70 0.00 0.00 55.95 58.56 1gwk s SER 94 Cb -0.58 0.92 1.04 0.00 -1.71 0.00 0.00 66.02 65.69 1gwk s SER 94 CO 0.60 -0.20 1.76 -0.90 1.20 0.00 0.00 173.24 175.70 1gwk n ASP 95 N 4.22 0.34 -4.54 5.45 5.68 -1.26 -1.48 116.55 124.94 1gwk n ASP 95 Ca -0.22 -0.16 -0.28 0.00 -0.50 0.00 0.00 54.79 53.63 1gwk n ASP 95 Cb 0.56 -0.12 -0.10 0.00 -1.14 0.00 0.00 41.12 40.32 1gwk n ASP 95 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1gwk s GLU 96 N -2.78 1.97 0.32 0.11 2.02 -1.26 -4.93 118.70 114.15 1gwk s GLU 96 Ca 0.19 -1.21 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 1gwk s GLU 96 Cb 0.19 -2.16 -0.11 0.00 0.10 0.00 0.00 34.13 32.15 1gwk s GLU 96 CO 0.55 0.46 1.57 0.66 0.02 0.00 0.00 175.26 178.52 1gwk n TYR 97 N 0.39 2.94 -4.27 1.61 4.01 -1.26 -4.41 117.16 116.17 1gwk n TYR 97 Ca -0.13 0.31 -0.17 0.00 -0.16 0.00 0.00 57.90 57.75 1gwk n TYR 97 Cb 0.54 -2.58 -0.14 0.00 -0.31 0.00 0.00 39.34 36.85 1gwk n TYR 97 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gwk s VAL 98 N -0.38 0.70 -0.20 -0.72 1.01 -1.26 -4.96 120.40 114.59 1gwk s VAL 98 Ca 0.60 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1gwk s VAL 98 Cb -0.48 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1gwk s VAL 98 CO 0.54 0.04 0.47 -0.89 0.00 0.00 0.00 175.10 175.25 1gwk s THR 99 N -0.53 5.15 -0.05 3.92 2.01 -1.26 -4.32 115.64 120.55 1gwk s THR 99 Ca 0.00 0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.89 1gwk s THR 99 Cb -0.05 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1gwk s THR 99 CO 0.00 0.21 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.70 1gwk s TYR 100 N 1.47 2.73 -0.24 4.92 2.02 0.27 -4.99 117.35 123.53 1gwk s TYR 100 Ca 0.22 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1gwk s TYR 100 Cb -0.15 -1.65 0.06 0.00 -0.40 0.00 0.00 41.96 39.83 1gwk s TYR 100 CO 0.09 0.19 -0.03 0.42 -1.57 0.00 0.00 175.55 174.65 1gwk s ILE 101 N -0.69 1.42 -0.11 2.71 1.01 -1.26 -1.72 121.20 122.56 1gwk s ILE 101 Ca 0.11 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1gwk s ILE 101 Cb -0.11 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 1gwk s ILE 101 CO 0.01 -0.18 -0.21 -0.76 0.00 0.00 0.00 174.94 173.80 1gwk s LEU 102 N 1.43 2.22 0.26 2.97 1.43 0.45 -4.87 118.68 122.58 1gwk s LEU 102 Ca -0.03 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 1gwk s LEU 102 Cb -0.19 -1.46 -0.12 0.00 0.03 0.00 0.00 46.19 44.46 1gwk s LEU 102 CO -0.08 0.14 1.65 -1.81 0.23 0.00 0.00 176.35 176.48 1gwk s ASP 103 N 0.44 6.37 -0.33 2.29 1.01 -1.26 -0.49 116.67 124.70 1gwk s ASP 103 Ca -0.15 2.93 -0.09 0.00 0.71 0.00 0.00 52.55 55.95 1gwk s ASP 103 Cb -0.17 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.15 1gwk s ASP 103 CO 0.06 -0.94 0.15 -0.69 0.21 0.00 0.00 175.17 173.96 1gwk s VAL 104 N 0.43 4.39 -1.81 -1.27 1.01 0.83 -4.90 120.40 119.08 1gwk s VAL 104 Ca 0.68 -0.66 0.20 0.00 0.00 0.00 0.00 61.98 62.19 1gwk s VAL 104 Cb -0.49 -3.33 0.52 0.00 0.00 0.00 0.00 36.38 33.08 1gwk s VAL 104 CO 0.42 -0.04 1.43 0.47 0.00 0.00 0.00 175.10 177.39 1gwk n ASP 105 N 4.95 3.59 -4.73 3.32 8.00 -1.26 -3.77 116.55 126.65 1gwk n ASP 105 Ca -0.13 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 52.99 1gwk n ASP 105 Cb 0.48 -0.38 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1gwk n ASP 105 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1gwk n PHE 106 N 1.34 2.31 -0.86 1.24 7.35 -1.26 -4.92 117.46 122.67 1gwk n PHE 106 Ca 0.20 0.45 0.08 0.00 -0.76 0.00 0.00 57.45 57.43 1gwk n PHE 106 Cb 0.57 -2.39 0.29 0.00 0.35 0.00 0.00 39.48 38.30 1gwk n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1gwk n ASP 107 N -0.39 4.24 -4.27 -2.13 5.75 -1.26 -4.53 116.55 113.97 1gwk n ASP 107 Ca 0.08 -2.85 -0.21 0.00 -0.01 0.00 0.00 54.79 51.80 1gwk n ASP 107 Cb 0.42 -0.54 -0.12 0.00 -1.03 0.00 0.00 41.12 39.85 1gwk n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1gwk s LEU 108 N -2.55 2.36 0.60 -2.12 1.43 -1.26 -5.10 118.68 112.04 1gwk s LEU 108 Ca 0.44 -0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1gwk s LEU 108 Cb 0.33 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 1gwk s LEU 108 CO 0.12 -0.04 1.01 -2.65 0.23 0.00 0.00 176.35 175.02 1gwk n PRO 109 N 0.76 0.95 -4.63 1.29 -0.02 -1.26 -4.65 135.00 127.44 1gwk n PRO 109 Ca -0.17 0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 61.45 1gwk n PRO 109 Cb 0.55 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 1gwk n PRO 109 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1gwk s PHE 110 N -1.49 1.28 -0.54 6.00 -0.71 0.20 -4.32 117.98 118.40 1gwk s PHE 110 Ca 0.76 -0.28 0.05 0.00 -1.04 0.00 0.00 56.93 56.41 1gwk s PHE 110 Cb -0.42 -0.85 0.08 0.00 -1.21 0.00 0.00 43.02 40.62 1gwk s PHE 110 CO 0.47 -0.06 0.84 -0.40 -1.34 0.00 0.00 175.22 174.72 1gwk n ASP 111 N 2.92 1.81 -4.05 1.98 5.75 -0.90 -1.15 116.55 122.92 1gwk n ASP 111 Ca -0.16 -1.52 -0.19 0.00 -0.01 0.00 0.00 54.79 52.91 1gwk n ASP 111 Cb 0.55 -0.04 -0.14 0.00 -1.03 0.00 0.00 41.12 40.45 1gwk n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gwk s ARG 112 N -0.65 0.79 -0.06 0.11 0.52 -1.16 -1.03 118.95 117.47 1gwk s ARG 112 Ca 0.08 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1gwk s ARG 112 Cb 0.05 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.77 1gwk s ARG 112 CO 0.07 0.20 -0.17 0.42 0.02 0.00 0.00 175.30 175.84 1gwk s ILE 113 N -0.38 1.45 0.01 1.52 1.01 -0.78 -1.50 121.20 122.53 1gwk s ILE 113 Ca 0.03 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.07 1gwk s ILE 113 Cb -0.05 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1gwk s ILE 113 CO -0.00 0.42 -0.24 -1.81 0.00 0.00 0.00 174.94 173.31 1gwk s ASP 114 N 0.36 2.79 -0.16 3.58 1.01 0.98 -0.46 116.67 124.78 1gwk s ASP 114 Ca -0.12 -0.49 -0.00 0.00 0.71 0.00 0.00 52.55 52.66 1gwk s ASP 114 Cb -0.15 -0.28 0.04 0.00 1.01 0.00 0.00 42.92 43.54 1gwk s ASP 114 CO 0.04 0.25 -0.07 -0.36 0.21 0.00 0.00 175.17 175.25 1gwk s PHE 115 N -0.66 1.80 -0.07 4.23 0.40 -0.64 -1.69 117.98 121.35 1gwk s PHE 115 Ca 0.09 -1.12 0.05 0.00 -0.60 0.00 0.00 56.93 55.35 1gwk s PHE 115 Cb -0.09 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1gwk s PHE 115 CO 0.00 -0.62 -0.21 -1.14 0.70 0.00 0.00 175.22 173.95 1gwk s GLN 116 N 1.60 2.69 -0.99 0.44 0.74 0.06 -2.08 119.66 122.12 1gwk s GLN 116 Ca 0.01 -0.83 -0.23 0.00 0.05 0.00 0.00 55.36 54.36 1gwk s GLN 116 Cb -0.15 -2.28 -0.00 0.00 1.10 0.00 0.00 33.01 31.68 1gwk s GLN 116 CO -0.08 0.40 1.72 0.34 -0.55 0.00 0.00 175.29 177.12 1gwk s ASP 117 N -0.18 5.80 0.26 6.67 2.15 -0.44 -1.21 116.67 129.73 1gwk s ASP 117 Ca -0.02 -1.16 -0.05 0.00 0.43 0.00 0.00 52.55 51.75 1gwk s ASP 117 Cb -0.14 -2.57 0.31 0.00 -0.30 0.00 0.00 42.92 40.23 1gwk s ASP 117 CO 0.04 -2.16 1.91 0.00 -0.17 0.00 0.00 175.17 174.79 1gwk h ALA 118 N 10.36 1.27 0.00 3.66 0.00 -1.84 -1.92 119.26 130.79 1gwk h ALA 118 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gwk h ALA 118 Cb 1.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gwk h ALA 118 CO 1.32 0.62 0.00 -1.35 0.00 0.00 0.00 179.25 179.84 1gwk h PRO 119 N 1.20 0.00 -4.10 0.00 0.11 -1.90 -3.48 132.00 123.83 1gwk h PRO 119 Ca 0.31 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 66.04 1gwk h PRO 119 Cb -0.04 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.08 1gwk h PRO 119 CO -0.06 0.00 -0.54 0.41 -0.21 0.00 0.00 178.00 177.60 1gwk n GLY 120 N 0.60 -0.51 0.71 -0.55 0.00 -0.72 -4.89 105.19 99.83 1gwk n GLY 120 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1gwk n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gwk n ASN 121 N -2.24 2.86 0.00 1.61 3.02 -1.26 -0.90 115.26 118.35 1gwk n ASN 121 Ca -0.14 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1gwk n ASN 121 Cb 0.63 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1gwk n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gwk n GLY 122 N 0.73 0.54 3.69 7.41 0.00 -1.26 -4.72 105.19 111.58 1gwk n GLY 122 Ca 0.12 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1gwk n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gwk n ASP 123 N 0.94 2.99 -4.87 1.61 8.00 -1.26 -4.49 116.55 119.47 1gwk n ASP 123 Ca 0.00 1.16 -0.31 0.00 0.71 0.00 0.00 54.79 56.35 1gwk n ASP 123 Cb 0.00 -1.47 -0.00 0.00 -0.02 0.00 0.00 41.12 39.62 1gwk n ASP 123 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1gwk s ARG 124 N -0.73 3.69 -0.02 -1.24 0.52 -1.26 -4.55 118.95 115.36 1gwk s ARG 124 Ca 0.65 0.76 0.01 0.00 -0.52 0.00 0.00 55.73 56.63 1gwk s ARG 124 Cb -0.60 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 32.76 1gwk s ARG 124 CO 0.52 -0.46 -0.04 0.42 0.02 0.00 0.00 175.30 175.76 1gwk s ILE 125 N -2.99 0.41 -0.08 1.52 1.01 -1.05 -1.45 121.20 118.57 1gwk s ILE 125 Ca 0.55 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.08 1gwk s ILE 125 Cb -0.11 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1gwk s ILE 125 CO 0.47 0.15 -0.21 0.26 0.00 0.00 0.00 174.94 175.60 1gwk s TRP 126 N 0.26 2.26 -0.01 3.97 0.51 -0.29 -0.20 118.94 125.44 1gwk s TRP 126 Ca -0.03 -0.87 0.02 0.00 -2.12 0.00 0.00 56.10 53.10 1gwk s TRP 126 Cb -0.07 -1.53 0.00 0.00 -0.81 0.00 0.00 33.47 31.07 1gwk s TRP 126 CO -0.00 -0.35 -0.07 0.42 -0.51 0.00 0.00 176.95 176.44 1gwk s ILE 127 N 0.33 0.57 0.14 2.03 1.01 -1.26 -2.11 121.20 121.91 1gwk s ILE 127 Ca -0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1gwk s ILE 127 Cb -0.17 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1gwk s ILE 127 CO 0.07 0.18 0.12 -0.54 0.00 0.00 0.00 174.94 174.77 1gwk s LYS 128 N 0.08 0.99 -1.27 2.79 1.02 -0.84 -4.54 119.74 117.96 1gwk s LYS 128 Ca -0.01 -1.36 -0.07 0.00 0.02 0.00 0.00 55.97 54.56 1gwk s LYS 128 Cb -0.06 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 1gwk s LYS 128 CO -0.00 -0.31 0.65 0.09 -0.92 0.00 0.00 175.35 174.86 1gwk n ASN 129 N -0.13 -2.41 -4.67 2.83 3.02 -0.43 -1.06 115.26 112.42 1gwk n ASN 129 Ca -0.06 -0.94 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 1gwk n ASN 129 Cb 0.63 -3.58 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 1gwk n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1gwk s LEU 130 N -6.65 4.16 -0.03 3.41 2.96 0.56 -3.84 118.68 119.25 1gwk s LEU 130 Ca 0.17 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 1gwk s LEU 130 Cb -0.06 -2.81 0.01 0.00 0.50 0.00 0.00 46.19 43.83 1gwk s LEU 130 CO 0.85 -0.21 0.07 -0.69 -1.32 0.00 0.00 176.35 175.04 1gwk s VAL 131 N 1.67 -0.01 -0.10 1.68 1.01 0.40 -0.15 120.40 124.91 1gwk s VAL 131 Ca 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1gwk s VAL 131 Cb -0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1gwk s VAL 131 CO 0.10 0.02 0.04 -2.28 0.00 0.00 0.00 175.10 172.98 1gwk s HIS 132 N 0.31 3.27 -0.02 5.22 2.46 -0.15 0.12 115.29 126.50 1gwk s HIS 132 Ca -0.02 0.26 0.08 0.00 0.47 0.00 0.00 55.06 55.85 1gwk s HIS 132 Cb -0.03 -1.84 -0.02 0.00 -0.13 0.00 0.00 32.58 30.56 1gwk s HIS 132 CO -0.01 0.51 -0.26 0.45 -2.47 0.00 0.00 174.74 172.96 1gwk s SER 133 N -0.85 3.03 0.57 9.88 0.15 -0.50 -0.46 113.70 125.52 1gwk s SER 133 Ca 0.13 -0.47 0.35 0.00 0.70 0.00 0.00 55.95 56.66 1gwk s SER 133 Cb -0.12 -0.34 1.50 0.00 -1.71 0.00 0.00 66.02 65.35 1gwk s SER 133 CO 0.03 0.32 2.03 0.71 1.20 0.00 0.00 173.24 177.52 1gwk h THR 134 N 4.49 0.00 -3.54 6.45 1.35 -1.79 0.25 112.91 120.13 1gwk h THR 134 Ca -0.43 -0.45 -0.45 0.00 -0.55 0.00 0.00 66.41 64.52 1gwk h THR 134 Cb 1.12 1.45 0.08 0.00 -1.73 0.00 0.00 68.15 69.07 1gwk h THR 134 CO 0.47 0.00 0.20 -0.83 -0.25 0.00 0.00 175.52 175.11 1gwk s GLY 135 N -4.18 1.71 0.98 5.82 0.00 -1.26 -3.86 107.32 106.52 1gwk s GLY 135 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.59 1gwk s GLY 135 CO 0.53 -0.61 1.08 -1.35 0.00 0.00 0.00 173.10 172.75 1gwk s SER 136 N -4.53 2.68 0.16 1.64 1.04 -1.26 -2.94 113.70 110.49 1gwk s SER 136 Ca 0.60 1.58 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 1gwk s SER 136 Cb -0.10 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.82 1gwk s SER 136 CO 0.44 -3.15 1.76 0.00 0.98 0.00 0.00 173.24 173.27 1gwk h ALA 137 N -1.90 0.65 -0.92 5.32 0.00 -1.89 -2.58 119.26 117.95 1gwk h ALA 137 Ca -0.52 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.45 1gwk h ALA 137 Cb 1.30 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1gwk h ALA 137 CO 0.52 0.18 0.59 0.22 0.00 0.00 0.00 179.25 180.75 1gwk h ASP 138 N 0.67 0.66 0.63 0.00 3.58 -1.93 -2.77 116.42 117.27 1gwk h ASP 138 Ca 0.18 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1gwk h ASP 138 Cb 0.07 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1gwk h ASP 138 CO -0.03 0.32 -0.59 0.47 -2.88 0.00 0.00 179.24 176.53 1gwk n ASP 139 N -4.58 0.57 -4.62 2.28 8.00 -1.10 -4.94 116.55 112.15 1gwk n ASP 139 Ca 0.18 -0.10 -0.53 0.00 0.71 0.00 0.00 54.79 55.05 1gwk n ASP 139 Cb 0.50 0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 1gwk n ASP 139 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1gwk n PHE 140 N -1.77 1.97 -3.46 1.24 -0.00 -0.99 -4.95 117.46 109.50 1gwk n PHE 140 Ca 0.04 0.33 -0.43 0.00 -0.00 0.00 0.00 57.45 57.39 1gwk n PHE 140 Cb 0.38 -2.53 -0.09 0.00 -0.00 0.00 0.00 39.48 37.24 1gwk n PHE 140 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1gwk s VAL 141 N 4.88 5.08 -0.31 -2.13 1.01 -1.26 -5.04 120.40 122.63 1gwk s VAL 141 Ca 1.01 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1gwk s VAL 141 Cb -0.92 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 1gwk s VAL 141 CO 0.57 -0.41 1.81 -0.62 0.00 0.00 0.00 175.10 176.45 1gwk s ASP 142 N 2.03 5.91 0.15 3.32 -1.08 -1.26 -4.86 116.67 120.88 1gwk s ASP 142 Ca 0.04 1.36 0.20 0.00 -0.52 0.00 0.00 52.55 53.64 1gwk s ASP 142 Cb -0.21 -2.53 0.84 0.00 -1.46 0.00 0.00 42.92 39.57 1gwk s ASP 142 CO 0.08 -1.69 1.62 -0.81 0.52 0.00 0.00 175.17 174.89 1gwk n PRO 143 N 8.40 0.12 0.00 4.34 -0.04 -1.26 -5.31 135.00 141.25 1gwk n PRO 143 Ca 0.23 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 1gwk n PRO 143 Cb 0.46 -1.72 0.10 0.00 -0.04 0.00 0.00 33.50 32.30 1gwk n PRO 143 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57