#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keq s GLY 0 N 0.00 0.64 0.32 -0.02 0.00 -1.26 -4.69 107.32 102.30 2keq s GLY 0 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 44.72 43.45 2keq s GLY 0 CO 0.00 -1.03 0.73 0.00 0.00 0.00 0.00 173.10 172.80 2keq s ALA 1 N -3.99 -0.98 0.06 3.20 0.00 -1.26 -4.80 121.76 113.99 2keq s ALA 1 Ca 0.19 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.70 2keq s ALA 1 Cb 0.05 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2keq s ALA 1 CO -0.00 -1.01 -0.12 -0.51 0.00 0.00 0.00 175.76 174.12 2keq s LEU 2 N -2.98 2.92 0.95 0.00 2.01 -0.55 -2.87 118.68 118.15 2keq s LEU 2 Ca 0.13 -0.35 -0.11 0.00 0.01 0.00 0.00 54.13 53.81 2keq s LEU 2 Cb -0.05 -1.71 0.16 0.00 0.01 0.00 0.00 46.19 44.59 2keq s LEU 2 CO 0.09 0.23 1.09 -0.94 1.01 0.00 0.00 176.35 177.83 2keq s SER 3 N -1.76 2.85 0.26 2.29 1.04 -0.49 -0.66 113.70 117.23 2keq s SER 3 Ca 0.18 1.72 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 2keq s SER 3 Cb -0.11 -2.35 0.52 0.00 0.10 0.00 0.00 66.02 64.18 2keq s SER 3 CO 0.09 -3.07 1.73 0.22 0.98 0.00 0.00 173.24 173.19 2keq h TYR 4 N -1.85 0.58 0.00 5.02 3.20 -1.91 -2.20 116.97 119.82 2keq h TYR 4 Ca -0.50 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.41 2keq h TYR 4 Cb 1.29 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2keq h TYR 4 CO 0.43 0.07 0.00 0.93 -1.64 0.00 0.00 178.16 177.94 2keq h GLU 5 N 0.47 0.00 -6.05 1.82 4.39 -1.93 -3.30 114.58 109.98 2keq h GLU 5 Ca 0.45 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.58 2keq h GLU 5 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2keq h GLU 5 CO -0.42 0.00 1.42 0.99 -1.16 0.00 0.00 179.01 179.84 2keq s THR 6 N -3.96 3.20 -0.10 1.13 2.01 -0.83 -4.91 115.64 112.18 2keq s THR 6 Ca -0.03 0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 2keq s THR 6 Cb 0.11 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2keq s THR 6 CO 0.44 -0.21 0.72 -1.61 -0.69 0.00 0.00 174.62 173.27 2keq s GLU 7 N 6.35 4.39 -0.26 4.92 2.02 -1.26 -1.72 118.70 133.14 2keq s GLU 7 Ca 0.90 0.88 -0.11 0.00 0.02 0.00 0.00 54.97 56.66 2keq s GLU 7 Cb -0.26 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 2keq s GLU 7 CO 0.33 -0.04 0.19 0.42 0.02 0.00 0.00 175.26 176.18 2keq s ILE 8 N 1.16 5.32 -0.04 -1.63 -1.09 0.13 -1.35 121.20 123.70 2keq s ILE 8 Ca 0.37 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.70 2keq s ILE 8 Cb -0.17 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2keq s ILE 8 CO 0.16 0.29 1.47 -0.22 -1.23 0.00 0.00 174.94 175.41 2keq s LEU 9 N 1.46 4.30 0.12 2.97 2.96 -1.23 -2.13 118.68 127.13 2keq s LEU 9 Ca 0.08 2.10 0.08 0.00 -0.22 0.00 0.00 54.13 56.17 2keq s LEU 9 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2keq s LEU 9 CO 0.08 -0.80 -0.19 0.42 -1.32 0.00 0.00 176.35 174.54 2keq s THR 10 N 3.13 1.67 0.22 3.68 -4.23 -0.65 -4.23 115.64 115.24 2keq s THR 10 Ca 0.66 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2keq s THR 10 Cb -0.31 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 2keq s THR 10 CO 0.26 -0.19 1.55 0.58 -0.54 0.00 0.00 174.62 176.28 2keq h VAL 11 N 3.77 1.35 -0.14 2.29 2.07 -1.76 -2.17 116.25 121.67 2keq h VAL 11 Ca -0.44 -1.86 -0.09 0.00 0.82 0.00 0.00 66.70 65.12 2keq h VAL 11 Cb 1.19 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2keq h VAL 11 CO 0.44 0.56 -0.33 -0.33 0.02 0.00 0.00 177.57 177.94 2keq h GLU 12 N 0.27 0.28 0.00 1.57 4.39 -1.96 -3.43 114.58 115.71 2keq h GLU 12 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2keq h GLU 12 Cb 1.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2keq h GLU 12 CO 0.09 0.58 0.00 0.66 -1.16 0.00 0.00 179.01 179.19 2keq n TYR 13 N -4.09 -0.19 0.00 4.33 4.01 -1.25 -5.11 117.16 114.86 2keq n TYR 13 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2keq n TYR 13 Cb 0.42 0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2keq n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2keq n GLY 14 N 1.23 0.59 3.59 2.72 0.00 -0.82 -4.96 105.19 107.55 2keq n GLY 14 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2keq n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2keq s LEU 15 N 0.00 3.45 0.05 0.99 1.43 -1.26 -1.63 118.68 121.71 2keq s LEU 15 Ca 0.00 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2keq s LEU 15 Cb 0.00 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 2keq s LEU 15 CO 0.00 -1.97 -0.12 -0.76 0.23 0.00 0.00 176.35 173.73 2keq s LEU 16 N 8.14 2.21 0.03 1.79 1.43 -0.91 -4.87 118.68 126.51 2keq s LEU 16 Ca 0.90 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 2keq s LEU 16 Cb -0.26 -0.44 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 2keq s LEU 16 CO 0.33 -0.06 1.63 -2.16 0.23 0.00 0.00 176.35 176.31 2keq s PRO 17 N -1.37 4.20 0.36 1.29 0.04 -1.26 -0.69 135.00 137.57 2keq s PRO 17 Ca -0.03 2.26 0.08 0.00 0.04 0.00 0.00 61.00 63.35 2keq s PRO 17 Cb -0.09 -3.69 0.80 0.00 0.04 0.00 0.00 34.50 31.56 2keq s PRO 17 CO 0.01 -0.74 1.90 0.97 0.04 0.00 0.00 177.00 179.18 2keq h ILE 18 N 5.01 0.90 -0.26 0.56 2.10 -1.41 -2.40 117.51 122.00 2keq h ILE 18 Ca -0.41 -0.24 -0.06 0.00 1.08 0.00 0.00 64.86 65.22 2keq h ILE 18 Cb 1.19 0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 2keq h ILE 18 CO 0.93 0.13 -0.09 1.23 -1.08 0.00 0.00 178.15 179.27 2keq h GLY 19 N 0.71 0.46 1.72 8.18 0.00 -1.80 -1.02 103.07 111.31 2keq h GLY 19 Ca 0.40 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 47.22 2keq h GLY 19 CO -0.17 0.27 -0.99 1.70 0.00 0.00 0.00 176.54 177.35 2keq h LYS 20 N 0.40 0.24 -0.57 4.80 3.64 -1.76 -0.98 116.57 122.33 2keq h LYS 20 Ca 0.08 -0.30 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 2keq h LYS 20 Cb 0.41 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2keq h LYS 20 CO 0.02 1.05 0.02 0.82 -2.27 0.00 0.00 179.45 179.09 2keq h ILE 21 N 0.11 1.26 0.12 2.00 2.04 -1.25 -2.06 117.51 119.73 2keq h ILE 21 Ca -0.07 -1.09 -0.29 0.00 1.00 0.00 0.00 64.86 64.41 2keq h ILE 21 Cb 1.66 0.80 0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2keq h ILE 21 CO 0.16 0.39 -1.23 0.58 0.00 0.00 0.00 178.15 178.06 2keq h VAL 22 N 0.91 1.34 0.00 1.67 2.07 -1.15 0.82 116.25 121.91 2keq h VAL 22 Ca 0.17 -2.60 -0.11 0.00 0.82 0.00 0.00 66.70 64.99 2keq h VAL 22 Cb 0.51 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2keq h VAL 22 CO 0.02 0.78 -0.50 1.05 0.02 0.00 0.00 177.57 178.94 2keq h GLU 23 N 0.22 0.00 -0.02 1.57 -0.00 -1.18 -3.16 114.58 112.00 2keq h GLU 23 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2keq h GLU 23 Cb 1.90 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.65 2keq h GLU 23 CO 0.22 0.50 -0.25 1.63 -0.00 0.00 0.00 179.01 181.12 2keq n LYS 24 N -3.29 1.70 -3.88 1.06 4.76 -0.78 -5.01 118.16 112.72 2keq n LYS 24 Ca 0.01 -1.38 -0.24 0.00 -2.87 0.00 0.00 58.31 53.83 2keq n LYS 24 Cb 0.70 -1.44 -0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2keq n LYS 24 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2keq n ARG 25 N 0.57 -3.85 -2.22 1.97 1.74 -0.16 -4.90 116.66 109.81 2keq n ARG 25 Ca 0.11 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 2keq n ARG 25 Cb 0.51 -4.77 -0.03 0.00 -1.02 0.00 0.00 32.46 27.15 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2keq s ILE 26 N -3.84 3.87 -0.31 0.55 1.01 0.10 -4.98 121.20 117.61 2keq s ILE 26 Ca 0.04 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 2keq s ILE 26 Cb -0.02 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 2keq s ILE 26 CO 0.86 -0.07 1.37 -1.61 0.00 0.00 0.00 174.94 175.49 2keq s GLU 27 N 3.37 3.83 0.24 2.79 2.02 -1.26 -4.94 118.70 124.75 2keq s GLU 27 Ca 0.64 1.24 -0.03 0.00 0.02 0.00 0.00 54.97 56.84 2keq s GLU 27 Cb -0.29 -3.93 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 2keq s GLU 27 CO 0.23 -1.23 0.26 0.00 0.02 0.00 0.00 175.26 174.54 2keq s THR 29 N -3.95 3.38 0.46 0.00 2.01 -1.26 -0.95 115.64 115.33 2keq s THR 29 Ca 0.34 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2keq s THR 29 Cb 0.04 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 2keq s THR 29 CO 0.14 0.10 0.07 0.68 -0.69 0.00 0.00 174.62 174.92 2keq s VAL 30 N -1.24 0.85 -0.00 3.82 -7.23 -0.33 -2.15 120.40 114.12 2keq s VAL 30 Ca 0.22 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 2keq s VAL 30 Cb -0.11 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2keq s VAL 30 CO 0.14 0.00 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.36 2keq s TYR 31 N -3.05 2.34 -0.04 2.82 1.51 -1.26 -2.80 117.35 116.87 2keq s TYR 31 Ca 0.15 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 2keq s TYR 31 Cb 0.02 -1.47 0.09 0.00 -0.11 0.00 0.00 41.96 40.49 2keq s TYR 31 CO 0.09 0.01 0.78 0.45 -1.11 0.00 0.00 175.55 175.78 2keq s SER 32 N -0.80 -0.52 0.15 2.29 0.15 -0.93 -0.66 113.70 113.37 2keq s SER 32 Ca 0.11 0.40 -0.17 0.00 0.70 0.00 0.00 55.95 57.00 2keq s SER 32 Cb -0.10 0.46 -0.07 0.00 -1.71 0.00 0.00 66.02 64.60 2keq s SER 32 CO -0.00 -0.60 0.59 0.68 1.20 0.00 0.00 173.24 175.11 2keq s VAL 33 N -1.89 4.77 1.01 4.45 -7.23 -1.26 -0.46 120.40 119.78 2keq s VAL 33 Ca -0.04 1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.98 2keq s VAL 33 Cb -0.00 -3.80 0.22 0.00 0.56 0.00 0.00 36.38 33.35 2keq s VAL 33 CO 0.01 0.31 1.27 -0.62 -0.31 0.00 0.00 175.10 175.76 2keq s ASP 34 N -1.56 2.66 0.48 4.85 2.15 -0.20 -4.89 116.67 120.16 2keq s ASP 34 Ca 0.37 0.38 0.33 0.00 0.43 0.00 0.00 52.55 54.05 2keq s ASP 34 Cb -0.16 -0.49 1.67 0.00 -0.30 0.00 0.00 42.92 43.64 2keq s ASP 34 CO 0.19 -3.03 1.99 0.78 -0.17 0.00 0.00 175.17 174.94 2keq h ASN 35 N -1.84 0.00 -0.02 -0.34 4.21 -1.99 -2.16 115.58 113.43 2keq h ASN 35 Ca -0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.06 2keq h ASN 35 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2keq h ASN 35 CO 0.38 0.00 -0.00 0.59 -1.29 0.00 0.00 177.43 177.11 2keq n ASN 36 N -2.70 2.27 -0.75 5.81 3.02 -1.26 -4.98 115.26 116.68 2keq n ASN 36 Ca -0.01 -1.75 -0.04 0.00 -0.03 0.00 0.00 54.58 52.75 2keq n ASN 36 Cb 0.11 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 2keq n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2keq n GLY 37 N 1.27 0.50 3.17 7.41 0.00 -0.81 -5.06 105.19 111.66 2keq n GLY 37 Ca 0.16 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2keq n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2keq s ASN 38 N -2.96 3.22 -0.08 1.61 0.01 -1.26 -4.89 114.94 110.58 2keq s ASN 38 Ca 0.06 -0.60 -0.29 0.00 -0.71 0.00 0.00 52.86 51.31 2keq s ASN 38 Cb -0.02 -1.48 -0.06 0.00 0.41 0.00 0.00 41.25 40.09 2keq s ASN 38 CO 0.07 0.05 1.84 -0.63 -1.51 0.00 0.00 177.10 176.92 2keq s ILE 39 N 0.99 3.32 0.37 0.60 1.01 -1.26 -1.03 121.20 125.20 2keq s ILE 39 Ca -0.02 0.37 0.08 0.00 0.00 0.00 0.00 60.65 61.08 2keq s ILE 39 Cb -0.15 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 2keq s ILE 39 CO -0.05 -0.08 -0.04 -0.72 0.00 0.00 0.00 174.94 174.05 2keq s TYR 40 N 5.04 2.41 -0.06 3.97 1.13 0.39 -4.96 117.35 125.28 2keq s TYR 40 Ca 0.82 -0.61 0.04 0.00 -1.41 0.00 0.00 57.07 55.91 2keq s TYR 40 Cb -0.35 -1.55 -0.02 0.00 -1.10 0.00 0.00 41.96 38.93 2keq s TYR 40 CO 0.35 0.48 -0.17 0.95 -2.51 0.00 0.00 175.55 174.64 2keq s THR 41 N -2.71 2.81 -0.08 -3.49 -4.23 -1.26 -2.20 115.64 104.48 2keq s THR 41 Ca 0.34 -0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.96 2keq s THR 41 Cb 0.06 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.84 2keq s THR 41 CO 0.17 0.58 0.22 0.00 -0.54 0.00 0.00 174.62 175.05 2keq s GLN 42 N -0.49 0.27 0.47 3.99 -2.07 -1.12 -4.96 119.66 115.75 2keq s GLN 42 Ca 0.06 0.29 -0.21 0.00 -1.82 0.00 0.00 55.36 53.68 2keq s GLN 42 Cb -0.12 0.13 -0.08 0.00 -1.09 0.00 0.00 33.01 31.85 2keq s GLN 42 CO 0.01 -0.03 1.06 -1.25 -1.32 0.00 0.00 175.29 173.76 2keq s PRO 43 N 0.07 3.83 0.58 9.60 0.04 -1.26 -1.19 135.00 146.67 2keq s PRO 43 Ca -0.01 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.28 2keq s PRO 43 Cb -0.02 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2keq s PRO 43 CO 0.00 -0.42 1.24 1.55 0.04 0.00 0.00 177.00 179.42 2keq n VAL 44 N -0.78 4.08 -0.05 -0.36 3.14 -0.12 -4.88 118.33 119.36 2keq n VAL 44 Ca 0.08 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.88 2keq n VAL 44 Cb 0.51 -1.48 -0.05 0.00 -1.06 0.00 0.00 33.84 31.77 2keq n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2keq n ALA 45 N -1.42 1.90 -2.48 1.55 0.00 0.07 -4.88 120.51 115.25 2keq n ALA 45 Ca 0.13 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 2keq n ALA 45 Cb 0.46 0.29 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 2keq n ALA 45 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2keq s GLN 46 N -2.20 1.77 -0.04 0.00 1.11 -0.45 -4.99 119.66 114.86 2keq s GLN 46 Ca -0.14 -1.91 -0.01 0.00 0.01 0.00 0.00 55.36 53.31 2keq s GLN 46 Cb 0.04 0.36 0.03 0.00 -1.01 0.00 0.00 33.01 32.43 2keq s GLN 46 CO 0.23 -0.68 0.02 -1.58 0.01 0.00 0.00 175.29 173.28 2keq s TRP 47 N -3.36 0.30 -0.04 0.91 0.51 -1.26 -0.51 118.94 115.47 2keq s TRP 47 Ca 0.37 0.05 0.06 0.00 -2.12 0.00 0.00 56.10 54.46 2keq s TRP 47 Cb 0.02 -0.50 -0.02 0.00 -0.81 0.00 0.00 33.47 32.16 2keq s TRP 47 CO 0.24 -0.18 -0.23 -1.01 -0.51 0.00 0.00 176.95 175.26 2keq s HIS 48 N 1.54 2.46 -0.11 -1.98 3.76 -0.12 -4.90 115.29 115.94 2keq s HIS 48 Ca -0.03 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 2keq s HIS 48 Cb -0.13 -1.58 0.02 0.00 1.11 0.00 0.00 32.58 32.00 2keq s HIS 48 CO -0.03 -0.07 -0.11 0.16 -0.85 0.00 0.00 174.74 173.84 2keq s ASP 49 N -0.43 2.22 -0.02 1.40 1.47 -1.26 -1.42 116.67 118.63 2keq s ASP 49 Ca 0.04 -0.35 0.13 0.00 1.18 0.00 0.00 52.55 53.55 2keq s ASP 49 Cb -0.12 -0.93 -0.22 0.00 -0.34 0.00 0.00 42.92 41.31 2keq s ASP 49 CO 0.01 -0.05 0.71 0.03 0.68 0.00 0.00 175.17 176.55 2keq h ARG 50 N 7.77 0.00 0.00 2.11 2.47 -1.84 -3.49 114.38 121.40 2keq h ARG 50 Ca -0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2keq h ARG 50 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2keq h ARG 50 CO 0.46 0.49 0.00 0.41 0.56 0.00 0.00 179.97 181.88 2keq n GLY 51 N 1.53 1.86 3.12 0.04 0.00 -1.24 -4.76 105.19 105.73 2keq n GLY 51 Ca -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.69 2keq n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2keq s GLU 52 N 0.00 0.57 0.17 1.61 8.01 -1.26 -3.59 118.70 124.22 2keq s GLU 52 Ca 0.00 0.40 0.03 0.00 0.01 0.00 0.00 54.97 55.41 2keq s GLU 52 Cb 0.00 0.16 -0.05 0.00 -4.31 0.00 0.00 34.13 29.93 2keq s GLU 52 CO 0.00 -1.07 -0.03 -0.65 0.01 0.00 0.00 175.26 173.52 2keq s GLN 53 N 2.68 1.13 -0.41 1.61 -0.21 -1.21 -4.98 119.66 118.27 2keq s GLN 53 Ca 0.11 -1.53 -0.28 0.00 0.02 0.00 0.00 55.36 53.68 2keq s GLN 53 Cb -0.10 -0.45 -0.03 0.00 1.00 0.00 0.00 33.01 33.43 2keq s GLN 53 CO -0.24 -0.06 1.95 -1.83 -2.12 0.00 0.00 175.29 172.99 2keq s GLU 54 N -3.85 2.96 -0.13 2.91 -1.05 -1.26 -3.23 118.70 115.05 2keq s GLU 54 Ca 0.22 1.28 -0.06 0.00 -0.15 0.00 0.00 54.97 56.26 2keq s GLU 54 Cb 0.05 -4.32 -0.04 0.00 -0.44 0.00 0.00 34.13 29.38 2keq s GLU 54 CO 0.04 -2.31 0.09 0.08 0.95 0.00 0.00 175.26 174.11 2keq s VAL 55 N 8.35 5.07 0.01 1.83 1.01 -0.38 -4.20 120.40 132.08 2keq s VAL 55 Ca 0.81 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.92 2keq s VAL 55 Cb -0.20 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2keq s VAL 55 CO 0.29 0.57 -0.23 -0.36 0.00 0.00 0.00 175.10 175.38 2keq s PHE 56 N -0.64 2.03 -0.79 5.22 0.40 -0.96 -1.85 117.98 121.38 2keq s PHE 56 Ca 0.12 -0.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.84 2keq s PHE 56 Cb -0.12 -1.27 0.08 0.00 0.51 0.00 0.00 43.02 42.22 2keq s PHE 56 CO 0.02 0.02 1.13 -2.00 0.70 0.00 0.00 175.22 175.09 2keq s GLU 57 N -0.79 3.31 -0.52 0.44 2.12 0.21 -3.00 118.70 120.47 2keq s GLU 57 Ca 0.09 -1.00 -0.29 0.00 0.36 0.00 0.00 54.97 54.13 2keq s GLU 57 Cb -0.09 -4.56 0.03 0.00 0.26 0.00 0.00 34.13 29.77 2keq s GLU 57 CO 0.00 -1.92 1.22 0.71 -0.54 0.00 0.00 175.26 174.73 2keq s TYR 58 N 4.15 2.64 -0.04 5.30 2.02 0.06 -1.87 117.35 129.62 2keq s TYR 58 Ca 0.30 0.57 -0.21 0.00 -0.37 0.00 0.00 57.07 57.37 2keq s TYR 58 Cb -0.10 -4.46 -0.05 0.00 -0.40 0.00 0.00 41.96 36.96 2keq s TYR 58 CO 0.03 -1.54 0.61 0.00 -1.57 0.00 0.00 175.55 173.08 2keq s LEU 60 N 0.26 3.16 0.49 0.00 2.96 -0.25 -0.61 118.68 124.69 2keq s LEU 60 Ca 0.32 0.24 0.26 0.00 -0.22 0.00 0.00 54.13 54.72 2keq s LEU 60 Cb -0.18 -3.04 1.28 0.00 0.50 0.00 0.00 46.19 44.76 2keq s LEU 60 CO 0.16 -1.24 2.00 -0.33 -1.32 0.00 0.00 176.35 175.62 2keq h GLU 61 N -0.14 0.00 0.00 1.98 5.08 -1.89 -2.72 114.58 116.89 2keq h GLU 61 Ca -0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.77 2keq h GLU 61 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2keq h GLU 61 CO 0.56 0.16 -0.80 0.22 -1.00 0.00 0.00 179.01 178.16 2keq h ASP 62 N 0.00 0.00 0.00 1.42 3.58 -1.95 -3.48 116.42 115.99 2keq h ASP 62 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2keq h ASP 62 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2keq h ASP 62 CO 0.02 0.72 0.00 0.61 -2.88 0.00 0.00 179.24 177.71 2keq n GLY 63 N 1.30 0.77 3.77 -0.78 0.00 -1.03 -5.11 105.19 104.10 2keq n GLY 63 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2keq n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2keq s SER 64 N -1.62 6.50 -0.01 1.61 0.01 -1.26 -4.80 113.70 114.13 2keq s SER 64 Ca 0.00 2.73 0.08 0.00 1.31 0.00 0.00 55.95 60.07 2keq s SER 64 Cb 0.00 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2keq s SER 64 CO 0.00 -0.73 -0.25 -0.76 0.41 0.00 0.00 173.24 171.91 2keq s LEU 65 N -2.13 2.12 -0.01 2.44 1.02 -1.26 -1.09 118.68 119.78 2keq s LEU 65 Ca 0.53 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 54.21 2keq s LEU 65 Cb -0.40 -1.34 0.01 0.00 0.02 0.00 0.00 46.19 44.47 2keq s LEU 65 CO 0.53 0.31 -0.03 -0.63 0.02 0.00 0.00 176.35 176.54 2keq s ILE 66 N -0.66 0.32 -0.30 -0.59 1.01 -0.86 -5.00 121.20 115.11 2keq s ILE 66 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2keq s ILE 66 Cb -0.10 -0.31 0.09 0.00 0.01 0.00 0.00 42.46 42.15 2keq s ILE 66 CO -0.00 0.12 0.02 -0.13 0.00 0.00 0.00 174.94 174.95 2keq s ARG 67 N 0.23 1.42 0.15 2.79 0.52 -1.26 -0.76 118.95 122.05 2keq s ARG 67 Ca -0.02 -1.44 -0.07 0.00 -0.52 0.00 0.00 55.73 53.67 2keq s ARG 67 Cb -0.05 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2keq s ARG 67 CO -0.00 -0.83 0.22 0.00 0.02 0.00 0.00 175.30 174.71 2keq s ALA 68 N 1.19 0.20 0.43 2.13 0.00 -1.16 -1.39 121.76 123.16 2keq s ALA 68 Ca 0.05 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.77 2keq s ALA 68 Cb -0.19 0.85 -0.10 0.00 0.00 0.00 0.00 23.12 23.68 2keq s ALA 68 CO -0.11 -0.60 0.98 0.95 0.00 0.00 0.00 175.76 176.97 2keq s THR 69 N -3.98 4.18 -0.58 0.00 -4.23 -1.14 -2.27 115.64 107.62 2keq s THR 69 Ca 0.18 1.41 0.15 0.00 -1.18 0.00 0.00 61.69 62.25 2keq s THR 69 Cb 0.04 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.42 2keq s THR 69 CO 0.00 -0.23 1.45 0.29 -0.54 0.00 0.00 174.62 175.58 2keq n LYS 70 N -0.57 0.09 0.05 3.99 5.02 -1.26 -2.01 118.16 123.47 2keq n LYS 70 Ca 0.07 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.99 2keq n LYS 70 Cb 0.53 -1.75 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 2keq n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2keq n ASP 71 N -1.94 0.65 -4.73 4.39 8.00 -1.26 -4.06 116.55 117.60 2keq n ASP 71 Ca 0.00 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 2keq n ASP 71 Cb 0.07 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 2keq n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2keq s HIS 72 N -3.21 3.70 0.48 1.24 2.46 -0.85 -4.32 115.29 114.79 2keq s HIS 72 Ca 0.04 1.69 -0.05 0.00 0.47 0.00 0.00 55.06 57.21 2keq s HIS 72 Cb 0.13 -3.16 -0.04 0.00 -0.13 0.00 0.00 32.58 29.39 2keq s HIS 72 CO 0.77 -0.19 0.78 0.15 -2.47 0.00 0.00 174.74 173.79 2keq s LYS 73 N -0.02 3.52 -0.01 2.88 1.02 -0.93 -2.67 119.74 123.54 2keq s LYS 73 Ca 0.49 0.18 -0.01 0.00 0.02 0.00 0.00 55.97 56.65 2keq s LYS 73 Cb -0.26 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2keq s LYS 73 CO 0.31 -0.21 0.02 -0.06 -0.92 0.00 0.00 175.35 174.50 2keq s PHE 74 N -2.74 -0.02 -0.43 3.18 0.40 -0.44 -0.72 117.98 117.21 2keq s PHE 74 Ca 0.47 0.05 -0.28 0.00 -0.60 0.00 0.00 56.93 56.57 2keq s PHE 74 Cb -0.10 0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.44 2keq s PHE 74 CO 0.45 -0.01 1.49 1.41 0.70 0.00 0.00 175.22 179.25 2keq s MET 75 N 0.00 3.45 1.13 0.44 1.75 -0.08 -3.61 119.30 122.38 2keq s MET 75 Ca -0.00 0.91 -0.15 0.00 -1.25 0.00 0.00 55.69 55.20 2keq s MET 75 Cb -0.00 -4.08 0.26 0.00 2.84 0.00 0.00 34.83 33.84 2keq s MET 75 CO 0.00 -1.72 1.07 0.95 -0.65 0.00 0.00 175.02 174.66 2keq s THR 76 N 5.90 1.83 0.62 10.11 -4.23 -0.70 -1.35 115.64 127.82 2keq s THR 76 Ca 0.63 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.46 2keq s THR 76 Cb -0.14 -2.36 0.36 0.00 1.34 0.00 0.00 72.50 71.70 2keq s THR 76 CO 0.31 0.00 2.10 -0.37 -0.54 0.00 0.00 174.62 176.12 2keq h VAL 77 N -2.39 0.26 -0.00 2.29 -1.51 -1.79 -0.99 116.25 112.11 2keq h VAL 77 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2keq h VAL 77 Cb 1.33 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2keq h VAL 77 CO 0.48 0.00 -0.75 -0.67 -1.23 0.00 0.00 177.57 175.40 2keq n ASP 78 N -3.44 1.21 0.00 4.19 2.03 -1.26 -4.90 116.55 114.38 2keq n ASP 78 Ca 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.28 2keq n ASP 78 Cb 0.30 0.71 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 2keq n ASP 78 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2keq n GLY 79 N 1.47 0.65 3.77 0.27 0.00 -0.38 -5.09 105.19 105.88 2keq n GLY 79 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2keq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2keq s GLN 80 N -0.84 4.33 -1.09 1.61 -1.52 -1.26 -4.64 119.66 116.24 2keq s GLN 80 Ca 0.00 2.25 -0.07 0.00 -1.95 0.00 0.00 55.36 55.59 2keq s GLN 80 Cb 0.00 -3.07 0.29 0.00 -0.22 0.00 0.00 33.01 30.01 2keq s GLN 80 CO 0.00 -0.24 1.24 0.00 -0.25 0.00 0.00 175.29 176.04 2keq n MET 81 N 1.01 3.86 -3.99 2.91 0.00 -1.26 -1.72 117.12 117.92 2keq n MET 81 Ca 0.01 -4.50 -0.32 0.00 0.00 0.00 0.00 57.70 52.89 2keq n MET 81 Cb 0.41 -2.52 -0.06 0.00 0.00 0.00 0.00 33.22 31.05 2keq n MET 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2keq s LEU 82 N -1.90 4.11 0.50 3.17 1.43 -1.24 -4.79 118.68 119.97 2keq s LEU 82 Ca 0.31 0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 53.38 2keq s LEU 82 Cb -0.04 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 2keq s LEU 82 CO -0.01 0.23 1.29 -2.16 0.23 0.00 0.00 176.35 175.93 2keq s PRO 83 N -2.11 3.43 0.55 1.29 0.04 -1.26 -1.33 135.00 135.62 2keq s PRO 83 Ca 0.28 2.08 0.24 0.00 0.04 0.00 0.00 61.00 63.65 2keq s PRO 83 Cb -0.12 -2.36 1.46 0.00 0.04 0.00 0.00 34.50 33.52 2keq s PRO 83 CO 0.20 -0.91 2.07 0.97 0.04 0.00 0.00 177.00 179.37 2keq h ILE 84 N 1.71 0.70 -0.05 0.56 2.10 -1.67 0.19 117.51 121.04 2keq h ILE 84 Ca -0.50 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.44 2keq h ILE 84 Cb 1.28 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 37.84 2keq h ILE 84 CO 0.59 0.00 0.03 -0.78 -1.08 0.00 0.00 178.15 176.91 2keq h ASP 85 N 0.00 0.04 0.13 2.19 3.58 -1.88 -1.56 116.42 118.92 2keq h ASP 85 Ca 0.13 -0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.24 2keq h ASP 85 Cb 0.58 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2keq h ASP 85 CO -0.00 0.03 -1.82 -0.08 -2.88 0.00 0.00 179.24 174.49 2keq h GLU 86 N 0.04 0.28 -0.90 0.28 4.81 -1.32 -3.36 114.58 114.42 2keq h GLU 86 Ca 0.02 -0.49 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2keq h GLU 86 Cb 0.03 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 2keq h GLU 86 CO -0.00 1.23 0.58 0.82 -0.73 0.00 0.00 179.01 180.91 2keq h ILE 87 N -0.03 1.13 -0.34 2.32 2.04 -1.23 -1.50 117.51 119.89 2keq h ILE 87 Ca -0.38 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2keq h ILE 87 Cb 1.97 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2keq h ILE 87 CO 0.09 0.20 0.23 0.15 0.00 0.00 0.00 178.15 178.82 2keq h PHE 88 N 1.10 0.40 0.05 1.37 3.57 -1.47 -0.78 116.94 121.20 2keq h PHE 88 Ca 0.36 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.78 2keq h PHE 88 Cb 0.04 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.66 2keq h PHE 88 CO -0.02 0.25 -0.41 0.93 -2.23 0.00 0.00 178.31 176.83 2keq h GLU 89 N 0.43 0.19 0.00 1.11 5.08 -1.44 -3.29 114.58 116.66 2keq h GLU 89 Ca 0.13 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2keq h GLU 89 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2keq h GLU 89 CO -0.03 1.07 0.00 0.54 -1.00 0.00 0.00 179.01 179.59 2keq n ARG 90 N -4.38 0.16 -3.15 2.33 3.00 -0.77 -4.91 116.66 108.93 2keq n ARG 90 Ca -0.11 0.39 -0.23 0.00 -0.01 0.00 0.00 57.85 57.89 2keq n ARG 90 Cb 0.62 -1.80 0.02 0.00 0.00 0.00 0.00 32.46 31.31 2keq n ARG 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2keq n GLU 91 N -2.09 -4.42 -2.79 5.56 1.02 -0.31 -4.99 120.64 112.63 2keq n GLU 91 Ca 0.02 0.75 -0.35 0.00 -0.02 0.00 0.00 57.16 57.56 2keq n GLU 91 Cb 0.21 -5.56 -0.07 0.00 -0.02 0.00 0.00 31.44 26.01 2keq n GLU 91 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2keq s LEU 92 N -6.63 4.13 0.81 -4.62 1.43 -1.14 -4.74 118.68 107.93 2keq s LEU 92 Ca 0.34 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 55.12 2keq s LEU 92 Cb -0.16 -4.28 0.10 0.00 0.03 0.00 0.00 46.19 41.88 2keq s LEU 92 CO 0.42 -0.23 1.15 -1.81 0.23 0.00 0.00 176.35 176.11 2keq s ASP 93 N -1.89 4.27 0.23 2.29 1.01 -1.26 -4.41 116.67 116.92 2keq s ASP 93 Ca 0.56 0.49 0.10 0.00 0.71 0.00 0.00 52.55 54.41 2keq s ASP 93 Cb -0.14 -0.92 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 2keq s ASP 93 CO 0.19 -2.00 -0.11 -0.76 0.21 0.00 0.00 175.17 172.69 2keq s LEU 94 N -5.52 2.87 0.87 1.23 1.43 -1.26 -3.22 118.68 115.08 2keq s LEU 94 Ca 0.64 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 2keq s LEU 94 Cb -0.09 -1.46 0.12 0.00 0.03 0.00 0.00 46.19 44.79 2keq s LEU 94 CO 0.48 0.06 1.18 -0.32 0.23 0.00 0.00 176.35 177.98 2keq s MET 95 N -3.24 1.23 0.24 1.70 -2.45 -0.46 -4.55 119.30 111.77 2keq s MET 95 Ca 0.28 1.66 0.06 0.00 -1.25 0.00 0.00 55.69 56.44 2keq s MET 95 Cb -0.07 -1.74 -0.05 0.00 1.25 0.00 0.00 34.83 34.22 2keq s MET 95 CO 0.16 -2.49 -0.08 1.03 1.05 0.00 0.00 175.02 174.69 2keq s ARG 96 N -4.42 1.42 0.00 4.11 1.81 -1.26 -4.36 118.95 116.25 2keq s ARG 96 Ca 0.70 -1.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 2keq s ARG 96 Cb -0.26 -1.03 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 2keq s ARG 96 CO 0.55 0.06 0.00 1.55 -0.68 0.00 0.00 175.30 176.78 2keq n VAL 97 N -0.48 0.00 -0.62 3.52 3.14 -1.24 -4.82 118.33 117.83 2keq n VAL 97 Ca -0.06 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.40 2keq n VAL 97 Cb 0.62 -0.20 0.28 0.00 -1.06 0.00 0.00 33.84 33.49 2keq n VAL 97 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2keq n ASP 98 N -0.96 4.09 -3.00 6.55 8.00 -1.26 -4.94 116.55 125.02 2keq n ASP 98 Ca 0.00 -2.51 -0.22 0.00 0.71 0.00 0.00 54.79 52.77 2keq n ASP 98 Cb 0.14 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 2keq n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2keq n ASN 99 N 0.50 -5.42 -4.78 -2.24 3.02 -1.26 -5.01 115.26 100.06 2keq n ASN 99 Ca 0.21 -0.25 -0.31 0.00 -0.03 0.00 0.00 54.58 54.19 2keq n ASN 99 Cb 0.78 -4.42 0.08 0.00 -0.61 0.00 0.00 39.78 35.61 2keq n ASN 99 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2keq s LEU 100 N -6.52 3.08 0.21 3.41 1.43 -1.26 -5.02 118.68 114.01 2keq s LEU 100 Ca 0.28 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 2keq s LEU 100 Cb -0.13 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.48 2keq s LEU 100 CO 0.34 -1.88 1.36 -2.16 0.23 0.00 0.00 176.35 174.24 2keq s PRO 101 N -4.88 4.35 -0.07 1.29 0.04 -1.26 -4.95 135.00 129.52 2keq s PRO 101 Ca 0.61 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.49 2keq s PRO 101 Cb -0.17 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2keq s PRO 101 CO 0.55 -0.32 1.36 -0.80 0.04 0.00 0.00 177.00 177.83 2keq s ASN 102 N 0.39 6.89 -0.07 6.66 -0.87 -1.26 -5.03 114.94 121.65 2keq s ASN 102 Ca 0.58 1.96 -0.08 0.00 -1.57 0.00 0.00 52.86 53.74 2keq s ASN 102 Cb -0.38 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.32 2keq s ASN 102 CO 0.39 -0.74 0.23 0.27 -2.57 0.00 0.00 177.10 174.68 2keq s ILE 103 N 2.94 0.02 0.80 0.60 -4.36 -1.26 -4.99 121.20 114.94 2keq s ILE 103 Ca 0.61 -0.13 -0.11 0.00 -0.26 0.00 0.00 60.65 60.77 2keq s ILE 103 Cb -0.28 -0.36 0.09 0.00 1.25 0.00 0.00 42.46 43.16 2keq s ILE 103 CO 0.23 -0.07 1.15 -1.59 0.24 0.00 0.00 174.94 174.90 2keq s LYS 104 N -0.19 1.83 -0.34 0.37 0.00 -1.26 -4.34 119.74 115.82 2keq s LYS 104 Ca -0.03 -0.09 -0.28 0.00 0.00 0.00 0.00 55.97 55.57 2keq s LYS 104 Cb -0.03 -2.00 -0.02 0.00 0.00 0.00 0.00 37.83 35.78 2keq s LYS 104 CO 0.01 -1.61 1.84 0.42 0.00 0.00 0.00 175.35 176.01 2keq s ILE 105 N -3.53 3.43 0.06 3.79 1.09 -1.26 -3.69 121.20 121.09 2keq s ILE 105 Ca 0.63 0.43 -0.19 0.00 -1.10 0.00 0.00 60.65 60.41 2keq s ILE 105 Cb -0.10 -3.60 -0.12 0.00 -1.06 0.00 0.00 42.46 37.58 2keq s ILE 105 CO 0.48 -0.40 1.40 0.00 -0.10 0.00 0.00 174.94 176.32 2keq h ALA 106 N 13.23 0.26 -2.82 9.38 0.00 -1.11 -3.48 119.26 134.72 2keq h ALA 106 Ca -0.34 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 2keq h ALA 106 Cb 1.18 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 2keq h ALA 106 CO 1.04 0.11 -0.10 0.95 0.00 0.00 0.00 179.25 181.25 2keq s THR 107 N -4.50 0.02 0.02 0.00 -4.23 -0.98 -5.03 115.64 100.94 2keq s THR 107 Ca -0.14 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 2keq s THR 107 Cb 0.06 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 2keq s THR 107 CO 0.76 -0.08 -0.05 -0.60 -0.54 0.00 0.00 174.62 174.11 2keq s ARG 108 N -3.97 0.39 -0.04 3.99 3.52 -1.26 -0.83 118.95 120.75 2keq s ARG 108 Ca 0.18 -0.50 -0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2keq s ARG 108 Cb -0.00 -0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.22 2keq s ARG 108 CO 0.05 0.04 0.05 0.21 -0.81 0.00 0.00 175.30 174.84 2keq s LYS 109 N -1.01 0.01 0.04 5.12 2.47 -0.78 -4.99 119.74 120.60 2keq s LYS 109 Ca -0.07 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.37 2keq s LYS 109 Cb -0.07 -0.57 -0.08 0.00 -1.46 0.00 0.00 37.83 35.66 2keq s LYS 109 CO -0.00 -0.32 1.72 -0.47 0.16 0.00 0.00 175.35 176.44 2keq s TYR 110 N 2.11 2.10 -0.15 4.03 5.04 -1.26 -0.62 117.35 128.61 2keq s TYR 110 Ca 0.05 0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.69 2keq s TYR 110 Cb -0.12 -4.02 -0.24 0.00 0.35 0.00 0.00 41.96 37.93 2keq s TYR 110 CO -0.03 -4.26 0.31 1.28 -1.34 0.00 0.00 175.55 171.51 2keq n LEU 111 N 6.27 2.42 0.00 6.97 4.77 -0.77 -4.92 117.00 131.74 2keq n LEU 111 Ca 0.17 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2keq n LEU 111 Cb 0.41 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2keq n LEU 111 CO 0.64 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 2keq n GLY 112 N 1.83 0.47 2.37 -0.72 0.00 -1.17 -5.02 105.19 102.94 2keq n GLY 112 Ca -0.32 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 2keq n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2keq n LYS 113 N 0.00 1.36 -3.32 1.61 4.81 -1.26 -1.25 118.16 120.11 2keq n LYS 113 Ca 0.00 -3.83 -0.23 0.00 -0.87 0.00 0.00 58.31 53.37 2keq n LYS 113 Cb 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.31 2keq n LYS 113 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2keq s GLN 114 N -1.48 3.41 -0.00 1.64 -0.21 -1.20 -4.71 119.66 117.11 2keq s GLN 114 Ca 0.35 -0.38 -0.30 0.00 0.02 0.00 0.00 55.36 55.05 2keq s GLN 114 Cb 0.12 -2.65 -0.07 0.00 1.00 0.00 0.00 33.01 31.41 2keq s GLN 114 CO -0.10 0.08 1.78 1.21 -2.12 0.00 0.00 175.29 176.14 2keq s ASN 115 N -4.07 6.57 0.14 5.90 3.04 -1.24 -3.36 114.94 121.93 2keq s ASN 115 Ca 0.41 2.44 0.09 0.00 0.04 0.00 0.00 52.86 55.85 2keq s ASN 115 Cb -0.10 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2keq s ASN 115 CO 0.36 -0.97 -0.22 0.68 -3.04 0.00 0.00 177.10 173.91 2keq s VAL 116 N 4.02 1.97 0.10 -5.21 -7.23 -1.26 -3.71 120.40 109.07 2keq s VAL 116 Ca 0.79 -1.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2keq s VAL 116 Cb -0.38 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2keq s VAL 116 CO 0.34 -0.10 0.12 -0.31 -0.31 0.00 0.00 175.10 174.84 2keq s TYR 117 N -1.44 0.44 -0.24 2.82 1.51 0.17 -2.25 117.35 118.36 2keq s TYR 117 Ca 0.13 -0.89 -0.08 0.00 -1.01 0.00 0.00 57.07 55.22 2keq s TYR 117 Cb -0.09 -0.24 0.11 0.00 -0.11 0.00 0.00 41.96 41.63 2keq s TYR 117 CO 0.06 -0.52 0.52 0.34 -1.11 0.00 0.00 175.55 174.84 2keq s ASP 118 N -2.93 -0.66 0.17 2.29 -1.08 -0.51 -1.48 116.67 112.47 2keq s ASP 118 Ca 0.12 1.26 -0.30 0.00 -0.52 0.00 0.00 52.55 53.11 2keq s ASP 118 Cb 0.06 1.76 -0.07 0.00 -1.46 0.00 0.00 42.92 43.21 2keq s ASP 118 CO -0.06 -0.23 0.93 0.27 0.52 0.00 0.00 175.17 176.61 2keq s ILE 119 N 2.70 4.31 -0.03 4.11 -4.36 -1.26 -0.95 121.20 125.72 2keq s ILE 119 Ca -0.04 2.04 -0.19 0.00 -0.26 0.00 0.00 60.65 62.20 2keq s ILE 119 Cb -0.12 -4.31 -0.05 0.00 1.25 0.00 0.00 42.46 39.23 2keq s ILE 119 CO -0.16 0.41 0.55 -0.83 0.24 0.00 0.00 174.94 175.15 2keq s GLY 120 N -0.58 2.54 -0.23 6.27 0.00 0.33 -4.92 107.32 110.73 2keq s GLY 120 Ca 0.43 -0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.95 2keq s GLY 120 CO 0.30 0.70 0.58 0.54 0.00 0.00 0.00 173.10 175.22 2keq s VAL 121 N -0.07 -0.01 0.43 1.40 0.11 -1.26 -0.75 120.40 120.25 2keq s VAL 121 Ca 0.29 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.18 2keq s VAL 121 Cb -0.17 -0.84 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 2keq s VAL 121 CO 0.15 0.01 0.92 -0.70 -3.33 0.00 0.00 175.10 172.15 2keq s GLU 122 N 1.18 4.14 -0.12 1.54 2.56 -1.26 -4.23 118.70 122.51 2keq s GLU 122 Ca -0.07 1.01 -0.09 0.00 0.00 0.00 0.00 54.97 55.83 2keq s GLU 122 Cb -0.06 -2.21 0.03 0.00 2.00 0.00 0.00 34.13 33.89 2keq s GLU 122 CO -0.12 -0.04 0.17 0.54 -0.56 0.00 0.00 175.26 175.25 2keq n ARG 123 N -0.77 -3.77 -2.94 4.30 5.12 -1.26 -4.85 116.66 112.48 2keq n ARG 123 Ca 0.06 2.92 -0.07 0.00 -1.93 0.00 0.00 57.85 58.84 2keq n ARG 123 Cb 0.54 -4.19 0.01 0.00 -1.16 0.00 0.00 32.46 27.65 2keq n ARG 123 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2keq n ASP 124 N 1.38 -7.42 0.16 0.55 8.00 -1.26 -4.87 116.55 113.09 2keq n ASP 124 Ca -0.29 0.82 0.19 0.00 0.71 0.00 0.00 54.79 56.21 2keq n ASP 124 Cb 0.45 -4.15 0.77 0.00 -0.02 0.00 0.00 41.12 38.17 2keq n ASP 124 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2keq h HIS 125 N 2.79 0.00 -3.67 1.24 3.86 -1.85 -3.43 115.15 114.09 2keq h HIS 125 Ca -0.07 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.62 2keq h HIS 125 Cb 0.62 0.00 0.21 0.00 1.06 0.00 0.00 27.41 29.30 2keq h HIS 125 CO 0.03 0.00 -0.31 0.27 0.86 0.00 0.00 177.93 178.77 2keq n ASN 126 N -3.53 -1.29 -3.45 2.45 2.04 -1.26 -4.80 115.26 105.42 2keq n ASN 126 Ca 0.04 0.34 -0.13 0.00 -0.44 0.00 0.00 54.58 54.39 2keq n ASN 126 Cb 0.52 -1.29 -0.03 0.00 -2.53 0.00 0.00 39.78 36.45 2keq n ASN 126 CO 0.00 0.00 0.00 0.72 -0.44 0.00 0.00 177.26 177.54 2keq s PHE 127 N -2.47 -0.56 0.51 -2.53 -0.12 -1.10 -4.78 117.98 106.93 2keq s PHE 127 Ca 0.60 0.53 -0.20 0.00 -0.05 0.00 0.00 56.93 57.81 2keq s PHE 127 Cb -0.22 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.62 2keq s PHE 127 CO 0.64 -0.77 1.09 0.00 -0.05 0.00 0.00 175.22 176.14 2keq s ALA 128 N -3.04 2.81 0.32 1.99 0.00 0.16 -3.27 121.76 120.72 2keq s ALA 128 Ca -0.02 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.72 2keq s ALA 128 Cb -0.01 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2keq s ALA 128 CO -0.07 -0.55 0.15 -0.51 0.00 0.00 0.00 175.76 174.78 2keq s LEU 129 N -3.55 1.73 0.49 0.00 1.43 -0.06 -3.49 118.68 115.23 2keq s LEU 129 Ca 0.69 -1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 2keq s LEU 129 Cb -0.21 0.15 -0.10 0.00 0.03 0.00 0.00 46.19 46.05 2keq s LEU 129 CO 0.25 -0.88 0.71 2.29 0.23 0.00 0.00 176.35 178.95 2keq n LYS 130 N -0.62 0.80 -1.66 1.70 -0.00 -0.46 -1.88 118.16 116.04 2keq n LYS 130 Ca 0.00 0.30 -0.11 0.00 -0.00 0.00 0.00 58.31 58.50 2keq n LYS 130 Cb 0.65 -1.79 -0.03 0.00 -0.00 0.00 0.00 35.03 33.85 2keq n LYS 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2keq n ASN 131 N 0.57 -3.04 -0.46 -5.58 2.85 -1.26 -3.04 115.26 105.31 2keq n ASN 131 Ca 0.11 0.26 -0.05 0.00 -0.11 0.00 0.00 54.58 54.79 2keq n ASN 131 Cb 0.43 -2.82 -0.01 0.00 1.24 0.00 0.00 39.78 38.61 2keq n ASN 131 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2keq n GLY 132 N -0.37 0.41 3.81 8.20 0.00 -0.79 -4.91 105.19 111.54 2keq n GLY 132 Ca -0.11 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2keq n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2keq s PHE 133 N -2.21 3.07 -0.29 1.61 0.40 -1.17 -3.74 117.98 115.66 2keq s PHE 133 Ca 0.00 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.82 2keq s PHE 133 Cb 0.00 -2.96 0.09 0.00 0.51 0.00 0.00 43.02 40.66 2keq s PHE 133 CO 0.00 -1.03 0.05 0.42 0.70 0.00 0.00 175.22 175.37 2keq s ILE 134 N -2.55 1.19 0.27 0.64 1.09 -1.26 -0.88 121.20 119.70 2keq s ILE 134 Ca 0.62 -1.43 -0.16 0.00 -1.10 0.00 0.00 60.65 58.59 2keq s ILE 134 Cb -0.15 -1.79 -0.08 0.00 -1.06 0.00 0.00 42.46 39.38 2keq s ILE 134 CO 0.38 -0.50 0.70 0.00 -0.10 0.00 0.00 174.94 175.42 2keq s ALA 135 N 1.48 3.39 0.04 9.38 0.00 -1.20 -0.90 121.76 133.95 2keq s ALA 135 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2keq s ALA 135 Cb -0.18 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2keq s ALA 135 CO -0.17 0.36 -0.11 0.45 0.00 0.00 0.00 175.76 176.29 2keq s SER 136 N -2.07 1.28 0.00 0.00 0.15 0.10 -2.69 113.70 110.46 2keq s SER 136 Ca 0.49 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2keq s SER 136 Cb -0.12 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2keq s SER 136 CO 0.19 -0.07 0.00 -0.46 1.20 0.00 0.00 173.24 174.10