#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 1.59 0.37 -0.02 0.00 -1.25 -4.97 107.32 103.03 2keq s GLY 0 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 44.72 44.48 2keq s GLY 0 CO 0.00 0.49 0.84 0.00 0.00 0.00 0.00 173.10 174.43 2keq s ALA 1 N -2.79 -0.83 0.07 3.20 0.00 -1.26 -4.74 121.76 115.41 2keq s ALA 1 Ca 0.65 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.96 2keq s ALA 1 Cb -0.20 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2keq s ALA 1 CO 0.59 -0.99 -0.23 -0.51 0.00 0.00 0.00 175.76 174.62 2keq s LEU 2 N -3.15 2.21 0.89 0.00 1.43 -0.40 -2.19 118.68 117.48 2keq s LEU 2 Ca 0.17 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 2keq s LEU 2 Cb -0.05 -1.04 0.12 0.00 0.03 0.00 0.00 46.19 45.25 2keq s LEU 2 CO 0.11 0.16 1.09 -0.55 0.23 0.00 0.00 176.35 177.39 2keq s SER 3 N -1.44 3.51 0.24 2.29 0.15 -0.48 -0.89 113.70 117.08 2keq s SER 3 Ca 0.09 1.61 -0.05 0.00 0.70 0.00 0.00 55.95 58.30 2keq s SER 3 Cb -0.09 -2.28 0.43 0.00 -1.71 0.00 0.00 66.02 62.37 2keq s SER 3 CO 0.03 -2.63 1.73 0.22 1.20 0.00 0.00 173.24 173.79 2keq h TYR 4 N -1.54 0.50 0.00 3.44 5.03 -1.91 -1.64 116.97 120.85 2keq h TYR 4 Ca -0.48 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.86 2keq h TYR 4 Cb 1.27 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2keq h TYR 4 CO 0.45 0.07 0.01 1.49 -1.32 0.00 0.00 178.16 178.86 2keq h GLU 5 N 0.44 0.00 -5.74 1.82 4.57 -1.94 -3.31 114.58 110.42 2keq h GLU 5 Ca 0.40 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 58.20 2keq h GLU 5 Cb 0.59 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.13 2keq h GLU 5 CO -0.39 0.00 1.04 0.99 -1.18 0.00 0.00 179.01 179.47 2keq s THR 6 N -4.12 3.60 0.38 0.32 2.01 -0.62 -4.92 115.64 112.29 2keq s THR 6 Ca -0.05 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 61.04 2keq s THR 6 Cb 0.13 -4.40 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2keq s THR 6 CO 0.40 -1.21 1.00 -1.61 -0.69 0.00 0.00 174.62 172.51 2keq s GLU 7 N 6.34 4.31 -0.13 4.92 2.02 -1.26 -1.88 118.70 133.01 2keq s GLU 7 Ca 0.64 1.40 0.02 0.00 0.02 0.00 0.00 54.97 57.06 2keq s GLU 7 Cb -0.03 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.62 2keq s GLU 7 CO 0.01 0.01 -0.21 0.42 0.02 0.00 0.00 175.26 175.51 2keq s ILE 8 N -1.71 2.14 0.24 -1.63 -1.09 0.02 -1.73 121.20 117.44 2keq s ILE 8 Ca 0.56 -0.96 -0.31 0.00 -2.23 0.00 0.00 60.65 57.71 2keq s ILE 8 Cb -0.19 -1.85 -0.11 0.00 -1.58 0.00 0.00 42.46 38.72 2keq s ILE 8 CO 0.24 0.55 1.64 -0.22 -1.23 0.00 0.00 174.94 175.92 2keq s LEU 9 N 0.73 4.36 0.05 2.97 2.96 -1.25 -2.46 118.68 126.04 2keq s LEU 9 Ca -0.09 2.86 0.04 0.00 -0.22 0.00 0.00 54.13 56.72 2keq s LEU 9 Cb -0.16 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 2keq s LEU 9 CO 0.00 -0.92 -0.11 0.42 -1.32 0.00 0.00 176.35 174.42 2keq s THR 10 N 0.68 0.84 0.14 3.68 -4.23 -0.15 -4.33 115.64 112.27 2keq s THR 10 Ca 0.69 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 2keq s THR 10 Cb -0.48 -0.82 -0.17 0.00 1.34 0.00 0.00 72.50 72.37 2keq s THR 10 CO 0.38 -0.22 1.34 0.58 -0.54 0.00 0.00 174.62 176.16 2keq h VAL 11 N 4.47 1.44 0.00 2.29 2.07 -1.53 -2.38 116.25 122.60 2keq h VAL 11 Ca -0.37 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 64.60 2keq h VAL 11 Cb 1.19 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2keq h VAL 11 CO 0.42 0.74 -0.23 -0.33 0.02 0.00 0.00 177.57 178.19 2keq h GLU 12 N 0.18 0.00 0.00 1.57 4.39 -1.96 -3.43 114.58 115.33 2keq h GLU 12 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2keq h GLU 12 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2keq h GLU 12 CO 0.15 0.23 0.00 0.66 -1.16 0.00 0.00 179.01 178.89 2keq n TYR 13 N -4.10 -2.33 0.00 4.33 4.01 -1.24 -5.11 117.16 112.72 2keq n TYR 13 Ca -0.02 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 2keq n TYR 13 Cb 0.29 1.07 0.00 0.00 -0.31 0.00 0.00 39.34 40.39 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 0.92 -0.15 3.59 2.72 0.00 -0.90 -4.96 105.19 106.40 2keq n GLY 14 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 3.46 0.05 0.99 1.43 -1.26 -0.97 118.68 122.37 2keq s LEU 15 Ca 0.00 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2keq s LEU 15 Cb 0.00 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.96 2keq s LEU 15 CO 0.00 -1.84 -0.11 -0.76 0.23 0.00 0.00 176.35 173.87 2keq s LEU 16 N 7.18 2.23 0.10 1.79 1.02 -1.03 -4.91 118.68 125.08 2keq s LEU 16 Ca 0.72 -0.53 -0.31 0.00 0.02 0.00 0.00 54.13 54.03 2keq s LEU 16 Cb -0.18 -0.39 -0.09 0.00 0.02 0.00 0.00 46.19 45.56 2keq s LEU 16 CO 0.30 -0.09 1.55 -2.16 0.02 0.00 0.00 176.35 175.96 2keq s PRO 17 N -1.48 4.23 0.40 1.29 0.04 -1.26 -0.80 135.00 137.43 2keq s PRO 17 Ca -0.04 2.26 0.13 0.00 0.04 0.00 0.00 61.00 63.39 2keq s PRO 17 Cb -0.09 -3.38 0.98 0.00 0.04 0.00 0.00 34.50 32.04 2keq s PRO 17 CO 0.01 -0.62 1.91 0.97 0.04 0.00 0.00 177.00 179.31 2keq h ILE 18 N 4.45 0.82 -0.51 0.56 2.10 -1.46 -1.83 117.51 121.64 2keq h ILE 18 Ca -0.42 -0.17 -0.05 0.00 1.08 0.00 0.00 64.86 65.30 2keq h ILE 18 Cb 1.20 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 2keq h ILE 18 CO 0.91 0.09 0.12 1.23 -1.08 0.00 0.00 178.15 179.42 2keq h GLY 19 N 0.50 0.84 1.81 8.18 0.00 -1.79 -2.04 103.07 110.57 2keq h GLY 19 Ca 0.39 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 2keq h GLY 19 CO -0.14 0.45 -0.58 1.70 0.00 0.00 0.00 176.54 177.97 2keq h LYS 20 N 0.75 0.20 -0.44 4.80 3.64 -1.64 0.07 116.57 123.96 2keq h LYS 20 Ca 0.17 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2keq h LYS 20 Cb 0.28 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2keq h LYS 20 CO -0.00 0.72 -0.12 0.82 -2.27 0.00 0.00 179.45 178.60 2keq h ILE 21 N 0.15 1.26 0.12 2.00 2.04 -1.30 -2.26 117.51 119.52 2keq h ILE 21 Ca -0.00 -1.19 -0.34 0.00 1.00 0.00 0.00 64.86 64.33 2keq h ILE 21 Cb 1.06 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2keq h ILE 21 CO 0.09 0.41 -1.82 0.58 0.00 0.00 0.00 178.15 177.41 2keq h VAL 22 N 0.72 0.82 0.00 1.67 2.07 -1.25 0.11 116.25 120.39 2keq h VAL 22 Ca 0.12 -2.51 -0.06 0.00 0.82 0.00 0.00 66.70 65.07 2keq h VAL 22 Cb 0.61 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2keq h VAL 22 CO 0.04 0.82 -0.27 -0.33 0.02 0.00 0.00 177.57 177.85 2keq h GLU 23 N 0.07 0.00 -0.07 1.57 5.08 -1.04 -3.17 114.58 117.03 2keq h GLU 23 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2keq h GLU 23 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2keq h GLU 23 CO 0.12 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 180.03 2keq n LYS 24 N -3.62 1.25 -3.99 2.33 4.76 -0.85 -5.03 118.16 113.01 2keq n LYS 24 Ca -0.01 -1.23 -0.27 0.00 -2.87 0.00 0.00 58.31 53.93 2keq n LYS 24 Cb 0.40 -1.10 -0.02 0.00 -1.84 0.00 0.00 35.03 32.47 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 0.09 -3.44 -2.30 1.97 3.00 -0.42 -4.90 116.66 110.65 2keq n ARG 25 Ca 0.04 0.42 -0.43 0.00 -0.01 0.00 0.00 57.85 57.87 2keq n ARG 25 Cb 0.21 -4.69 -0.02 0.00 0.00 0.00 0.00 32.46 27.96 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2keq s ILE 26 N -3.81 4.02 -0.19 0.55 1.01 0.24 -5.00 121.20 118.01 2keq s ILE 26 Ca 0.15 1.29 -0.26 0.00 0.00 0.00 0.00 60.65 61.83 2keq s ILE 26 Cb -0.08 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 2keq s ILE 26 CO 0.89 -0.07 0.89 -1.83 0.00 0.00 0.00 174.94 174.81 2keq s GLU 27 N 3.19 4.28 0.26 2.79 -1.05 -1.26 -4.92 118.70 121.98 2keq s GLU 27 Ca 0.61 1.10 -0.04 0.00 -0.15 0.00 0.00 54.97 56.48 2keq s GLU 27 Cb -0.26 -3.60 0.02 0.00 -0.44 0.00 0.00 34.13 29.84 2keq s GLU 27 CO 0.21 -0.43 0.42 0.00 0.95 0.00 0.00 175.26 176.41 2keq s THR 29 N -2.60 1.54 0.44 0.00 2.01 -1.26 -1.82 115.64 113.95 2keq s THR 29 Ca 0.18 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2keq s THR 29 Cb -0.02 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 2keq s THR 29 CO 0.13 0.36 0.07 0.68 -0.69 0.00 0.00 174.62 175.17 2keq s VAL 30 N -0.55 0.92 -0.02 3.82 -7.23 0.03 -1.37 120.40 116.01 2keq s VAL 30 Ca 0.07 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2keq s VAL 30 Cb -0.08 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 2keq s VAL 30 CO -0.00 0.00 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.25 2keq s TYR 31 N -3.06 2.01 -0.08 2.82 1.51 -1.26 -1.96 117.35 117.34 2keq s TYR 31 Ca 0.18 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.55 2keq s TYR 31 Cb 0.03 -1.29 0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2keq s TYR 31 CO 0.10 -0.03 0.73 0.45 -1.11 0.00 0.00 175.55 175.69 2keq s SER 32 N -0.53 -0.62 0.72 2.29 0.15 -0.79 -1.66 113.70 113.26 2keq s SER 32 Ca 0.09 0.70 -0.11 0.00 0.70 0.00 0.00 55.95 57.33 2keq s SER 32 Cb -0.09 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 2keq s SER 32 CO -0.01 -0.55 1.07 0.68 1.20 0.00 0.00 173.24 175.63 2keq s VAL 33 N -1.12 3.81 0.26 4.45 -7.23 -1.26 -0.54 120.40 118.78 2keq s VAL 33 Ca -0.09 0.59 0.04 0.00 -1.81 0.00 0.00 61.98 60.71 2keq s VAL 33 Cb -0.00 -3.30 0.04 0.00 0.56 0.00 0.00 36.38 33.68 2keq s VAL 33 CO 0.08 -0.77 0.33 -0.90 -0.31 0.00 0.00 175.10 173.54 2keq n ASP 34 N -3.22 1.16 0.05 4.85 5.75 -0.84 -4.87 116.55 119.43 2keq n ASP 34 Ca 0.08 -1.75 0.05 0.00 -0.01 0.00 0.00 54.79 53.16 2keq n ASP 34 Cb 0.54 -0.16 0.25 0.00 -1.03 0.00 0.00 41.12 40.72 2keq n ASP 34 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2keq n ASN 35 N -2.52 0.19 -0.75 -1.12 3.02 -1.26 -1.71 115.26 111.12 2keq n ASN 35 Ca 0.06 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.28 2keq n ASN 35 Cb 0.28 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 38.91 2keq n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2keq n ASN 36 N -1.74 2.55 -0.08 6.41 3.02 -1.26 -5.00 115.26 119.15 2keq n ASN 36 Ca 0.01 -1.77 -0.00 0.00 -0.03 0.00 0.00 54.58 52.78 2keq n ASN 36 Cb 0.07 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.18 0.46 3.22 7.41 0.00 -0.69 -5.07 105.19 111.69 2keq n GLY 37 Ca 0.11 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.00 3.63 -0.04 1.61 0.01 -1.26 -4.84 114.94 111.04 2keq s ASN 38 Ca 0.00 -0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 51.34 2keq s ASN 38 Cb -0.00 -1.58 -0.07 0.00 0.41 0.00 0.00 41.25 40.02 2keq s ASN 38 CO 0.00 0.03 1.82 -0.63 -1.51 0.00 0.00 177.10 176.81 2keq s ILE 39 N 1.17 3.32 0.47 0.60 1.01 -1.26 -1.99 121.20 124.51 2keq s ILE 39 Ca 0.01 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.07 2keq s ILE 39 Cb -0.14 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2keq s ILE 39 CO -0.06 -0.05 0.04 -0.72 0.00 0.00 0.00 174.94 174.15 2keq s TYR 40 N 4.63 1.92 -0.02 3.97 -0.85 0.30 -4.95 117.35 122.35 2keq s TYR 40 Ca 0.81 -1.01 0.06 0.00 -0.52 0.00 0.00 57.07 56.41 2keq s TYR 40 Cb -0.36 -1.50 -0.01 0.00 0.38 0.00 0.00 41.96 40.46 2keq s TYR 40 CO 0.35 0.11 -0.19 0.95 -1.52 0.00 0.00 175.55 175.25 2keq s THR 41 N -2.96 1.47 -0.02 -3.49 -4.23 -1.26 -1.88 115.64 103.27 2keq s THR 41 Ca 0.15 -0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.74 2keq s THR 41 Cb 0.03 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.66 2keq s THR 41 CO 0.08 0.42 0.26 0.00 -0.54 0.00 0.00 174.62 174.83 2keq s GLN 42 N -0.43 0.56 0.62 3.99 -2.07 -0.83 -4.95 119.66 116.55 2keq s GLN 42 Ca 0.07 -0.15 -0.15 0.00 -1.82 0.00 0.00 55.36 53.30 2keq s GLN 42 Cb -0.07 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2keq s GLN 42 CO -0.01 -0.14 1.07 -1.25 -1.32 0.00 0.00 175.29 173.64 2keq s PRO 43 N -1.10 3.16 0.26 9.60 0.04 -1.26 -0.79 135.00 144.91 2keq s PRO 43 Ca -0.12 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 2keq s PRO 43 Cb -0.05 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 2keq s PRO 43 CO 0.03 -0.94 1.53 0.08 0.04 0.00 0.00 177.00 177.74 2keq s VAL 44 N -2.46 2.37 -0.16 -0.36 1.01 -0.75 -4.73 120.40 115.31 2keq s VAL 44 Ca 0.64 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.78 2keq s VAL 44 Cb -0.17 -3.19 -0.23 0.00 0.00 0.00 0.00 36.38 32.79 2keq s VAL 44 CO 0.39 0.05 0.30 0.00 0.00 0.00 0.00 175.10 175.84 2keq h ALA 45 N 5.21 0.34 -2.84 5.51 0.00 -1.33 -3.47 119.26 122.68 2keq h ALA 45 Ca -0.46 -1.29 -0.16 0.00 0.00 0.00 0.00 54.91 53.00 2keq h ALA 45 Cb 1.22 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 19.63 2keq h ALA 45 CO 0.81 0.99 -0.20 -0.65 0.00 0.00 0.00 179.25 180.20 2keq s GLN 46 N -2.46 1.66 -0.04 0.00 -1.52 -1.03 -4.95 119.66 111.32 2keq s GLN 46 Ca -0.25 -1.49 0.02 0.00 -1.95 0.00 0.00 55.36 51.69 2keq s GLN 46 Cb 0.06 0.44 0.01 0.00 -0.22 0.00 0.00 33.01 33.31 2keq s GLN 46 CO 0.68 -0.68 -0.07 -1.58 -0.25 0.00 0.00 175.29 173.39 2keq s TRP 47 N -3.64 0.90 -0.02 0.91 0.51 -1.26 -0.71 118.94 115.63 2keq s TRP 47 Ca 0.27 -0.26 0.02 0.00 -2.12 0.00 0.00 56.10 54.02 2keq s TRP 47 Cb 0.00 -0.71 0.00 0.00 -0.81 0.00 0.00 33.47 31.96 2keq s TRP 47 CO 0.13 -0.16 -0.08 -1.01 -0.51 0.00 0.00 176.95 175.33 2keq s HIS 48 N 0.57 0.83 -0.20 -1.98 3.76 -0.41 -4.95 115.29 112.91 2keq s HIS 48 Ca -0.09 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 2keq s HIS 48 Cb -0.12 -0.60 0.05 0.00 1.11 0.00 0.00 32.58 33.01 2keq s HIS 48 CO 0.01 -0.10 -0.07 0.16 -0.85 0.00 0.00 174.74 173.90 2keq s ASP 49 N 0.25 3.35 0.11 1.40 -4.77 -1.26 -1.73 116.67 114.02 2keq s ASP 49 Ca -0.04 -0.91 0.03 0.00 -3.30 0.00 0.00 52.55 48.33 2keq s ASP 49 Cb -0.08 -1.09 -0.20 0.00 -1.09 0.00 0.00 42.92 40.46 2keq s ASP 49 CO 0.00 -0.19 1.25 0.03 0.70 0.00 0.00 175.17 176.96 2keq h ARG 50 N 8.02 0.12 0.00 2.11 2.47 -1.89 -3.49 114.38 121.72 2keq h ARG 50 Ca -0.23 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 2keq h ARG 50 Cb 1.09 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 2keq h ARG 50 CO 0.43 1.06 0.00 0.41 0.56 0.00 0.00 179.97 182.43 2keq n GLY 51 N 1.33 2.40 3.04 0.04 0.00 -1.23 -4.77 105.19 106.00 2keq n GLY 51 Ca -0.03 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 0.22 0.24 1.61 2.02 -1.26 -3.81 118.70 117.73 2keq s GLU 52 Ca 0.00 0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.13 2keq s GLU 52 Cb 0.00 0.07 -0.05 0.00 0.10 0.00 0.00 34.13 34.24 2keq s GLU 52 CO 0.00 -0.38 -0.02 -0.65 0.02 0.00 0.00 175.26 174.23 2keq s GLN 53 N 2.60 1.38 -0.46 1.61 -0.21 -1.19 -4.92 119.66 118.46 2keq s GLN 53 Ca 0.22 -1.70 -0.27 0.00 0.02 0.00 0.00 55.36 53.63 2keq s GLN 53 Cb -0.01 -0.76 -0.04 0.00 1.00 0.00 0.00 33.01 33.20 2keq s GLN 53 CO -0.20 -0.05 2.02 -1.83 -2.12 0.00 0.00 175.29 173.11 2keq s GLU 54 N -3.82 2.74 -0.04 2.91 -1.05 -1.26 -3.23 118.70 114.95 2keq s GLU 54 Ca 0.28 1.19 -0.12 0.00 -0.15 0.00 0.00 54.97 56.17 2keq s GLU 54 Cb 0.05 -4.38 -0.05 0.00 -0.44 0.00 0.00 34.13 29.31 2keq s GLU 54 CO 0.09 -2.56 0.32 0.08 0.95 0.00 0.00 175.26 174.14 2keq s VAL 55 N 9.18 5.18 -0.02 1.83 1.01 -0.13 -4.10 120.40 133.35 2keq s VAL 55 Ca 0.82 0.64 0.06 0.00 0.00 0.00 0.00 61.98 63.50 2keq s VAL 55 Cb -0.19 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2keq s VAL 55 CO 0.27 0.58 -0.21 -0.36 0.00 0.00 0.00 175.10 175.39 2keq s PHE 56 N -1.00 1.89 0.24 5.22 0.40 -0.27 -1.27 117.98 123.18 2keq s PHE 56 Ca 0.21 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.85 2keq s PHE 56 Cb -0.15 -1.22 -0.10 0.00 0.51 0.00 0.00 43.02 42.06 2keq s PHE 56 CO 0.10 -0.06 1.47 -2.00 0.70 0.00 0.00 175.22 175.44 2keq s GLU 57 N -0.42 4.25 -0.38 0.44 2.12 -0.25 -2.93 118.70 121.52 2keq s GLU 57 Ca 0.06 2.33 0.02 0.00 0.36 0.00 0.00 54.97 57.74 2keq s GLU 57 Cb -0.09 -3.11 0.11 0.00 0.26 0.00 0.00 34.13 31.31 2keq s GLU 57 CO -0.00 -0.47 0.15 -0.47 -0.54 0.00 0.00 175.26 173.93 2keq s TYR 58 N 0.18 2.51 -0.08 5.30 5.04 0.08 -3.84 117.35 126.55 2keq s TYR 58 Ca 0.61 -2.46 -0.02 0.00 -2.44 0.00 0.00 57.07 52.76 2keq s TYR 58 Cb -0.43 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.62 2keq s TYR 58 CO 0.42 -0.85 0.03 0.00 -1.34 0.00 0.00 175.55 173.81 2keq s LEU 60 N -1.02 3.85 0.57 0.00 2.96 -0.37 -0.51 118.68 124.15 2keq s LEU 60 Ca 0.15 -0.28 0.34 0.00 -0.22 0.00 0.00 54.13 54.13 2keq s LEU 60 Cb -0.11 -2.46 1.60 0.00 0.50 0.00 0.00 46.19 45.72 2keq s LEU 60 CO 0.04 -0.24 2.08 -0.33 -1.32 0.00 0.00 176.35 176.58 2keq h GLU 61 N 1.23 0.00 0.00 1.98 4.39 -1.89 -1.20 114.58 119.09 2keq h GLU 61 Ca -0.47 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 2keq h GLU 61 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 2keq h GLU 61 CO 0.58 0.04 -0.65 0.22 -1.16 0.00 0.00 179.01 178.04 2keq h ASP 62 N 0.00 0.00 0.00 1.42 3.58 -1.96 -3.48 116.42 115.98 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 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2keq h ASP 62 CO 0.01 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.63 2keq n GLY 63 N 0.49 0.86 3.73 -0.78 0.00 -0.45 -5.11 105.19 103.92 2keq n GLY 63 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2keq n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2keq n SER 64 N 0.00 3.23 -3.98 1.61 7.64 -1.26 -4.78 113.62 116.07 2keq n SER 64 Ca 0.00 1.20 -0.26 0.00 1.01 0.00 0.00 58.87 60.82 2keq n SER 64 Cb 0.00 -1.53 -0.17 0.00 -1.01 0.00 0.00 64.21 61.50 2keq n SER 64 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2keq s LEU 65 N -1.14 1.49 0.04 -3.43 2.96 -1.26 -1.24 118.68 116.10 2keq s LEU 65 Ca 0.57 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2keq s LEU 65 Cb -0.54 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 2keq s LEU 65 CO 0.59 -0.03 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.91 2keq s ILE 66 N 1.10 0.36 -0.11 6.68 1.01 0.13 -5.02 121.20 125.36 2keq s ILE 66 Ca -0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 60.65 59.39 2keq s ILE 66 Cb -0.14 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.70 2keq s ILE 66 CO -0.02 -0.53 0.06 -0.13 0.00 0.00 0.00 174.94 174.32 2keq s ARG 67 N -1.98 0.20 0.20 2.79 0.52 -1.26 -0.74 118.95 118.67 2keq s ARG 67 Ca -0.09 0.06 -0.08 0.00 -0.52 0.00 0.00 55.73 55.10 2keq s ARG 67 Cb -0.07 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.10 2keq s ARG 67 CO -0.02 -0.49 0.31 0.00 0.02 0.00 0.00 175.30 175.12 2keq s ALA 68 N 2.08 0.18 0.47 2.13 0.00 -1.15 -1.38 121.76 124.09 2keq s ALA 68 Ca 0.03 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 2keq s ALA 68 Cb -0.14 1.03 -0.08 0.00 0.00 0.00 0.00 23.12 23.94 2keq s ALA 68 CO -0.06 -0.70 0.91 0.95 0.00 0.00 0.00 175.76 176.86 2keq s THR 69 N -4.02 4.61 -1.14 0.00 -4.23 -0.93 -1.11 115.64 108.81 2keq s THR 69 Ca 0.23 1.05 0.10 0.00 -1.18 0.00 0.00 61.69 61.89 2keq s THR 69 Cb 0.03 -3.71 0.11 0.00 1.34 0.00 0.00 72.50 70.27 2keq s THR 69 CO 0.05 -0.60 1.27 0.29 -0.54 0.00 0.00 174.62 175.09 2keq n LYS 70 N -1.41 0.05 0.00 3.99 5.02 -1.26 -2.11 118.16 122.45 2keq n LYS 70 Ca 0.05 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.74 2keq n LYS 70 Cb 0.54 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.43 0.77 -4.73 4.39 8.00 -1.26 -4.03 116.55 118.27 2keq n ASP 71 Ca 0.03 -0.65 -0.41 0.00 0.71 0.00 0.00 54.79 54.48 2keq n ASP 71 Cb 0.10 0.77 -0.04 0.00 -0.02 0.00 0.00 41.12 41.93 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 -3.04 3.74 0.58 1.24 2.46 -0.90 -3.95 115.29 115.43 2keq s HIS 72 Ca 0.08 1.65 -0.05 0.00 0.47 0.00 0.00 55.06 57.22 2keq s HIS 72 Cb 0.16 -3.00 0.01 0.00 -0.13 0.00 0.00 32.58 29.63 2keq s HIS 72 CO 0.81 0.16 0.87 0.15 -2.47 0.00 0.00 174.74 174.26 2keq s LYS 73 N 0.31 2.83 -0.00 2.88 3.01 -0.85 -2.95 119.74 124.97 2keq s LYS 73 Ca 0.45 -0.16 -0.04 0.00 -1.01 0.00 0.00 55.97 55.22 2keq s LYS 73 Cb -0.22 -2.32 -0.00 0.00 -1.01 0.00 0.00 37.83 34.29 2keq s LYS 73 CO 0.27 -0.70 0.08 -0.06 0.51 0.00 0.00 175.35 175.45 2keq s PHE 74 N -2.94 0.07 -0.63 3.18 0.40 -0.56 -1.46 117.98 116.04 2keq s PHE 74 Ca 0.54 -0.15 -0.28 0.00 -0.60 0.00 0.00 56.93 56.45 2keq s PHE 74 Cb -0.10 -0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.39 2keq s PHE 74 CO 0.44 -0.20 1.25 1.41 0.70 0.00 0.00 175.22 178.81 2keq s MET 75 N -1.04 3.38 1.05 0.44 -2.45 -0.84 -3.02 119.30 116.83 2keq s MET 75 Ca -0.11 0.12 -0.13 0.00 -1.25 0.00 0.00 55.69 54.31 2keq s MET 75 Cb -0.07 -4.08 0.22 0.00 1.25 0.00 0.00 34.83 32.15 2keq s MET 75 CO 0.00 -1.86 1.09 0.95 1.05 0.00 0.00 175.02 176.25 2keq s THR 76 N 5.35 1.95 0.62 10.11 -4.23 -0.99 -2.26 115.64 126.19 2keq s THR 76 Ca 0.42 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.26 2keq s THR 76 Cb -0.08 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.69 2keq s THR 76 CO 0.22 0.00 2.18 -0.37 -0.54 0.00 0.00 174.62 176.11 2keq h VAL 77 N -2.09 0.29 -0.01 2.29 -1.51 -1.77 -0.52 116.25 112.92 2keq h VAL 77 Ca -0.55 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 2keq h VAL 77 Cb 1.33 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2keq h VAL 77 CO 0.55 0.00 -0.15 0.47 -1.23 0.00 0.00 177.57 177.20 2keq n ASP 78 N -3.48 1.20 0.00 4.19 8.00 -1.26 -4.93 116.55 120.26 2keq n ASP 78 Ca -0.01 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2keq n ASP 78 Cb 0.22 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2keq n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2keq n GLY 79 N 1.27 0.46 3.68 0.44 0.00 -0.20 -5.05 105.19 105.79 2keq n GLY 79 Ca 0.15 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.58 4.31 -0.92 1.61 -0.21 -1.26 -4.82 119.66 116.78 2keq s GLN 80 Ca 0.00 0.89 -0.23 0.00 0.02 0.00 0.00 55.36 56.04 2keq s GLN 80 Cb 0.00 -3.55 0.06 0.00 1.00 0.00 0.00 33.01 30.52 2keq s GLN 80 CO 0.00 -0.23 1.33 -1.64 -2.12 0.00 0.00 175.29 172.63 2keq s MET 81 N 1.81 3.47 0.09 2.91 -1.94 -1.26 -2.33 119.30 122.04 2keq s MET 81 Ca 0.36 -1.02 0.10 0.00 -1.71 0.00 0.00 55.69 53.42 2keq s MET 81 Cb -0.17 -4.96 -0.03 0.00 2.01 0.00 0.00 34.83 31.68 2keq s MET 81 CO 0.13 -2.10 -0.26 -0.51 -0.01 0.00 0.00 175.02 172.27 2keq s LEU 82 N 4.70 2.24 0.50 -0.03 1.43 -1.17 -4.86 118.68 121.50 2keq s LEU 82 Ca 0.40 -0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 52.61 2keq s LEU 82 Cb -0.04 -1.23 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 2keq s LEU 82 CO -0.03 0.21 1.24 -2.16 0.23 0.00 0.00 176.35 175.84 2keq s PRO 83 N -1.63 3.47 0.55 1.29 0.04 -1.26 -1.50 135.00 135.97 2keq s PRO 83 Ca 0.12 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.34 2keq s PRO 83 Cb -0.10 -2.31 1.51 0.00 0.04 0.00 0.00 34.50 33.63 2keq s PRO 83 CO 0.04 -0.84 2.15 0.97 0.04 0.00 0.00 177.00 179.36 2keq h ILE 84 N 1.64 0.74 -0.87 0.56 2.10 -1.69 -0.27 117.51 119.72 2keq h ILE 84 Ca -0.50 0.00 0.17 0.00 1.08 0.00 0.00 64.86 65.61 2keq h ILE 84 Cb 1.27 0.93 -0.07 0.00 -1.09 0.00 0.00 36.82 37.86 2keq h ILE 84 CO 0.59 0.00 0.57 -0.78 -1.08 0.00 0.00 178.15 177.45 2keq h ASP 85 N 0.00 0.52 0.50 2.19 3.58 -1.90 -2.20 116.42 119.12 2keq h ASP 85 Ca 0.05 0.04 -0.29 0.00 0.42 0.00 0.00 57.03 57.25 2keq h ASP 85 Cb 0.24 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 2keq h ASP 85 CO -0.00 0.24 -1.59 -0.08 -2.88 0.00 0.00 179.24 174.94 2keq h GLU 86 N 0.54 0.12 -0.74 0.28 4.81 -1.40 -3.34 114.58 114.86 2keq h GLU 86 Ca 0.45 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2keq h GLU 86 Cb 0.91 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 2keq h GLU 86 CO -0.19 0.87 0.40 0.82 -0.73 0.00 0.00 179.01 180.18 2keq h ILE 87 N 0.03 1.22 -0.13 2.32 2.04 -1.14 -0.73 117.51 121.12 2keq h ILE 87 Ca -0.25 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 2keq h ILE 87 Cb 1.98 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2keq h ILE 87 CO 0.12 0.25 -0.33 0.15 0.00 0.00 0.00 178.15 178.33 2keq h PHE 88 N 1.03 0.30 0.23 1.37 3.57 -1.56 -0.58 116.94 121.30 2keq h PHE 88 Ca 0.26 -0.07 -0.34 0.00 3.53 0.00 0.00 57.97 61.35 2keq h PHE 88 Cb 0.03 -0.07 0.03 0.00 2.79 0.00 0.00 35.95 38.73 2keq h PHE 88 CO 0.01 0.57 -1.58 0.93 -2.23 0.00 0.00 178.31 176.01 2keq h GLU 89 N 0.23 0.49 0.00 1.11 5.08 -1.55 -3.30 114.58 116.64 2keq h GLU 89 Ca 0.03 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2keq h GLU 89 Cb 0.70 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2keq h GLU 89 CO 0.05 1.40 0.00 0.54 -1.00 0.00 0.00 179.01 180.00 2keq n ARG 90 N -3.68 0.20 -2.42 2.33 5.12 -0.33 -4.94 116.66 112.94 2keq n ARG 90 Ca -0.20 0.24 -0.16 0.00 -1.93 0.00 0.00 57.85 55.81 2keq n ARG 90 Cb 1.09 -1.77 -0.01 0.00 -1.16 0.00 0.00 32.46 30.61 2keq n ARG 90 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2keq n GLU 91 N -2.13 -2.01 -2.52 5.56 1.02 -0.24 -4.96 120.64 115.37 2keq n GLU 91 Ca 0.05 0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 2keq n GLU 91 Cb 0.36 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.35 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 -5.79 4.36 0.52 -4.62 1.43 -1.15 -4.85 118.68 108.59 2keq s LEU 92 Ca 0.00 1.88 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 2keq s LEU 92 Cb 0.00 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2keq s LEU 92 CO 0.00 -0.41 1.13 1.51 0.23 0.00 0.00 176.35 178.81 2keq s ASP 93 N 1.08 5.88 0.45 2.29 1.47 -1.26 -4.69 116.67 121.89 2keq s ASP 93 Ca 0.56 2.19 -0.11 0.00 1.18 0.00 0.00 52.55 56.37 2keq s ASP 93 Cb -0.26 -2.58 -0.06 0.00 -0.34 0.00 0.00 42.92 39.67 2keq s ASP 93 CO 0.28 -1.11 0.82 -0.76 0.68 0.00 0.00 175.17 175.08 2keq s LEU 94 N -3.59 3.73 0.15 2.11 1.43 -1.18 -2.93 118.68 118.40 2keq s LEU 94 Ca 0.70 1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 2keq s LEU 94 Cb -0.24 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 2keq s LEU 94 CO 0.28 -0.49 1.02 -0.32 0.23 0.00 0.00 176.35 177.07 2keq s MET 95 N -4.12 4.67 0.36 1.70 -2.45 -0.96 -4.54 119.30 113.97 2keq s MET 95 Ca 0.52 1.57 0.07 0.00 -1.25 0.00 0.00 55.69 56.60 2keq s MET 95 Cb -0.10 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.64 2keq s MET 95 CO 0.35 0.19 0.37 -0.98 1.05 0.00 0.00 175.02 176.01 2keq s ARG 96 N -0.30 2.76 0.00 4.11 3.03 -1.26 -3.19 118.95 124.10 2keq s ARG 96 Ca 0.47 -1.29 0.00 0.00 2.03 0.00 0.00 55.73 56.94 2keq s ARG 96 Cb -0.26 -2.54 0.00 0.00 -1.03 0.00 0.00 34.95 31.11 2keq s ARG 96 CO 0.32 -0.01 0.00 1.55 -1.13 0.00 0.00 175.30 176.03 2keq n VAL 97 N -1.51 0.00 -0.59 4.99 3.14 0.28 -4.69 118.33 119.95 2keq n VAL 97 Ca 0.01 -0.04 0.07 0.00 -2.96 0.00 0.00 64.34 61.42 2keq n VAL 97 Cb 0.60 0.52 0.22 0.00 -1.06 0.00 0.00 33.84 34.12 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 -1.40 3.58 -0.50 6.55 8.00 -1.26 -4.97 116.55 126.55 2keq n ASP 98 Ca 0.00 -2.51 -0.07 0.00 0.71 0.00 0.00 54.79 52.93 2keq n ASP 98 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 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 0.13 -5.10 -4.24 -2.24 3.02 -1.26 -4.99 115.26 100.58 2keq n ASN 99 Ca 0.18 0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 54.52 2keq n ASN 99 Cb 0.69 -3.17 0.04 0.00 -0.61 0.00 0.00 39.78 36.73 2keq n ASN 99 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2keq n LEU 100 N -0.74 -2.94 -4.75 3.41 4.77 -1.26 -4.95 117.00 110.53 2keq n LEU 100 Ca -0.07 0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 56.02 2keq n LEU 100 Cb 0.43 -0.95 0.03 0.00 -2.33 0.00 0.00 43.42 40.61 2keq n LEU 100 CO 0.10 -4.65 0.87 -2.16 -1.33 0.00 0.00 177.39 170.22 2keq s PRO 101 N -1.97 3.12 -0.03 3.23 0.04 -1.26 -4.92 135.00 133.20 2keq s PRO 101 Ca 0.54 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2keq s PRO 101 Cb -0.34 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2keq s PRO 101 CO 0.69 -1.11 1.48 -0.80 0.04 0.00 0.00 177.00 177.30 2keq s ASN 102 N -1.43 6.79 0.01 6.66 -0.87 -1.26 -5.00 114.94 119.84 2keq s ASN 102 Ca 0.74 2.13 -0.13 0.00 -1.57 0.00 0.00 52.86 54.03 2keq s ASN 102 Cb -0.32 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.38 2keq s ASN 102 CO 0.36 -0.80 0.28 0.27 -2.57 0.00 0.00 177.10 174.64 2keq s ILE 103 N 3.01 0.07 0.52 0.60 -4.36 -1.26 -5.03 121.20 114.76 2keq s ILE 103 Ca 0.66 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 2keq s ILE 103 Cb -0.31 -0.71 -0.00 0.00 1.25 0.00 0.00 42.46 42.68 2keq s ILE 103 CO 0.26 -0.33 0.00 -1.59 0.24 0.00 0.00 174.94 173.53 2keq s LYS 104 N -1.78 2.23 -0.24 0.37 0.00 -1.26 -3.11 119.74 115.94 2keq s LYS 104 Ca -0.11 -2.44 -0.28 0.00 0.00 0.00 0.00 55.97 53.14 2keq s LYS 104 Cb -0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 37.83 36.26 2keq s LYS 104 CO 0.01 -0.41 2.11 0.42 0.00 0.00 0.00 175.35 177.49 2keq s ILE 105 N -2.91 3.12 0.08 3.79 1.01 -1.26 -3.28 121.20 121.75 2keq s ILE 105 Ca 0.01 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 2keq s ILE 105 Cb 0.00 -3.17 -0.15 0.00 0.01 0.00 0.00 42.46 39.16 2keq s ILE 105 CO 0.01 -0.10 1.30 0.00 0.00 0.00 0.00 174.94 176.14 2keq h ALA 106 N 14.50 0.29 -2.62 9.38 0.00 -1.06 -3.47 119.26 136.28 2keq h ALA 106 Ca -0.39 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 53.87 2keq h ALA 106 Cb 1.22 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 2keq h ALA 106 CO 0.98 0.51 -0.32 0.95 0.00 0.00 0.00 179.25 181.37 2keq s THR 107 N -3.84 0.05 -0.04 0.00 -4.23 -1.22 -5.02 115.64 101.35 2keq s THR 107 Ca -0.12 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2keq s THR 107 Cb 0.07 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.36 2keq s THR 107 CO 0.86 -0.23 0.10 -0.60 -0.54 0.00 0.00 174.62 174.21 2keq s ARG 108 N -1.08 0.16 -0.07 3.99 3.52 -1.26 -2.78 118.95 121.42 2keq s ARG 108 Ca -0.11 0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 2keq s ARG 108 Cb -0.05 0.07 0.07 0.00 -1.56 0.00 0.00 34.95 33.48 2keq s ARG 108 CO 0.03 -0.02 0.68 0.21 -0.81 0.00 0.00 175.30 175.39 2keq s LYS 109 N -0.09 1.03 0.07 5.12 2.20 -1.25 -4.99 119.74 121.84 2keq s LYS 109 Ca -0.02 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 55.62 2keq s LYS 109 Cb -0.02 0.49 -0.08 0.00 -1.51 0.00 0.00 37.83 36.71 2keq s LYS 109 CO 0.00 -0.30 1.64 -0.47 -0.36 0.00 0.00 175.35 175.85 2keq s TYR 110 N -1.03 2.49 -0.18 4.03 5.04 -1.26 -1.09 117.35 125.34 2keq s TYR 110 Ca -0.10 0.36 -0.11 0.00 -2.44 0.00 0.00 57.07 54.78 2keq s TYR 110 Cb -0.01 -3.95 -0.21 0.00 0.35 0.00 0.00 41.96 38.14 2keq s TYR 110 CO 0.09 -3.77 0.17 1.28 -1.34 0.00 0.00 175.55 171.97 2keq n LEU 111 N 5.47 2.35 0.00 6.97 4.77 -0.40 -4.91 117.00 131.26 2keq n LEU 111 Ca 0.16 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2keq n LEU 111 Cb 0.40 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2keq n LEU 111 CO 0.62 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 2keq n GLY 112 N 1.76 0.11 2.68 -0.72 0.00 -1.18 -5.04 105.19 102.80 2keq n GLY 112 Ca -0.36 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 2keq n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2keq s LYS 113 N -2.00 1.75 0.22 1.61 2.20 -1.26 -0.95 119.74 121.31 2keq s LYS 113 Ca 0.00 -2.75 0.04 0.00 -0.36 0.00 0.00 55.97 52.90 2keq s LYS 113 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2keq s LYS 113 CO 0.00 -1.32 0.34 -0.65 -0.36 0.00 0.00 175.35 173.37 2keq s GLN 114 N -0.71 3.44 -0.04 4.03 -0.21 -1.20 -4.74 119.66 120.23 2keq s GLN 114 Ca 0.28 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.63 2keq s GLN 114 Cb -0.03 -2.91 -0.07 0.00 1.00 0.00 0.00 33.01 31.01 2keq s GLN 114 CO -0.17 0.45 1.88 1.21 -2.12 0.00 0.00 175.29 176.55 2keq s ASN 115 N -3.82 6.39 0.14 5.90 3.04 -1.25 -3.16 114.94 122.18 2keq s ASN 115 Ca 0.34 2.38 0.09 0.00 0.04 0.00 0.00 52.86 55.71 2keq s ASN 115 Cb -0.09 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.05 2keq s ASN 115 CO 0.29 -1.14 -0.21 0.68 -3.04 0.00 0.00 177.10 173.68 2keq s VAL 116 N 4.86 1.89 0.05 -5.21 -7.23 -1.26 -4.01 120.40 109.49 2keq s VAL 116 Ca 0.84 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2keq s VAL 116 Cb -0.38 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2keq s VAL 116 CO 0.37 -0.16 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.68 2keq s TYR 117 N -1.60 0.46 -0.22 2.82 1.51 -0.07 -2.61 117.35 117.63 2keq s TYR 117 Ca 0.13 -0.96 -0.13 0.00 -1.01 0.00 0.00 57.07 55.09 2keq s TYR 117 Cb -0.08 -0.34 0.07 0.00 -0.11 0.00 0.00 41.96 41.50 2keq s TYR 117 CO 0.06 -0.38 0.55 0.16 -1.11 0.00 0.00 175.55 174.84 2keq s ASP 118 N -2.76 -0.71 0.40 2.29 -4.77 -0.71 -1.27 116.67 109.13 2keq s ASP 118 Ca 0.04 1.20 -0.09 0.00 -3.30 0.00 0.00 52.55 50.40 2keq s ASP 118 Cb 0.06 1.09 -0.06 0.00 -1.09 0.00 0.00 42.92 42.92 2keq s ASP 118 CO -0.09 -0.21 0.74 0.27 0.70 0.00 0.00 175.17 176.57 2keq s ILE 119 N 1.36 4.84 0.18 2.11 -4.36 -1.26 -1.28 121.20 122.78 2keq s ILE 119 Ca -0.09 0.48 0.07 0.00 -0.26 0.00 0.00 60.65 60.86 2keq s ILE 119 Cb -0.06 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.86 2keq s ILE 119 CO -0.14 -0.53 0.01 -0.83 0.24 0.00 0.00 174.94 173.69 2keq s GLY 120 N -3.27 1.71 0.06 6.27 0.00 0.11 -4.92 107.32 107.29 2keq s GLY 120 Ca 0.50 -1.38 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 2keq s GLY 120 CO 0.33 -1.40 0.16 0.14 0.00 0.00 0.00 173.10 172.32 2keq s VAL 121 N -1.78 0.13 0.24 1.40 1.01 -1.26 -0.85 120.40 119.29 2keq s VAL 121 Ca 0.28 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2keq s VAL 121 Cb -0.09 -1.10 0.22 0.00 0.00 0.00 0.00 36.38 35.41 2keq s VAL 121 CO 0.19 -0.61 1.88 -0.08 0.00 0.00 0.00 175.10 176.48 2keq h GLU 122 N 3.23 1.27 0.00 2.72 4.81 -1.96 -3.44 114.58 121.22 2keq h GLU 122 Ca -0.33 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2keq h GLU 122 Cb 1.19 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2keq h GLU 122 CO 0.53 0.90 0.00 0.54 -0.73 0.00 0.00 179.01 180.24 2keq n ARG 123 N -4.36 0.00 -2.69 1.92 1.74 -1.26 -5.01 116.66 107.00 2keq n ARG 123 Ca 0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 2keq n ARG 123 Cb 0.07 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 2keq n ARG 123 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2keq s ASP 124 N -4.32 6.54 0.00 0.55 1.11 -1.26 -4.90 116.67 114.39 2keq s ASP 124 Ca 0.00 -1.65 0.00 0.00 0.18 0.00 0.00 52.55 51.08 2keq s ASP 124 Cb 0.00 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.48 2keq s ASP 124 CO 0.00 -1.35 0.49 1.41 1.18 0.00 0.00 175.17 176.90 2keq n HIS 125 N 8.04 0.00 -3.86 4.23 8.25 -1.26 -4.77 115.22 125.85 2keq n HIS 125 Ca 0.29 -0.25 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 2keq n HIS 125 Cb 0.50 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 2keq n HIS 125 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2keq s ASN 126 N 1.49 0.11 -0.02 0.41 4.22 -1.26 -0.91 114.94 118.98 2keq s ASN 126 Ca 0.00 -0.67 -0.29 0.00 -2.14 0.00 0.00 52.86 49.77 2keq s ASN 126 Cb 0.00 0.35 0.09 0.00 1.28 0.00 0.00 41.25 42.97 2keq s ASN 126 CO 0.00 -0.74 0.77 0.72 -2.04 0.00 0.00 177.10 175.81 2keq s PHE 127 N -3.87 -0.51 0.66 1.54 -0.12 -0.45 -4.77 117.98 110.45 2keq s PHE 127 Ca 0.06 0.66 -0.11 0.00 -0.05 0.00 0.00 56.93 57.49 2keq s PHE 127 Cb 0.05 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 2keq s PHE 127 CO -0.10 -0.60 1.05 0.00 -0.05 0.00 0.00 175.22 175.52 2keq s ALA 128 N -2.13 2.84 0.30 1.99 0.00 -0.66 -1.21 121.76 122.88 2keq s ALA 128 Ca -0.03 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.08 2keq s ALA 128 Cb -0.01 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2keq s ALA 128 CO -0.01 -0.98 -0.07 -0.51 0.00 0.00 0.00 175.76 174.20 2keq s LEU 129 N -5.30 2.89 0.38 0.00 1.43 0.37 -3.94 118.68 114.51 2keq s LEU 129 Ca 0.57 -0.94 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2keq s LEU 129 Cb -0.13 -1.33 0.86 0.00 0.03 0.00 0.00 46.19 45.62 2keq s LEU 129 CO 0.53 -0.09 1.91 0.07 0.23 0.00 0.00 176.35 178.99 2keq h LYS 130 N 1.99 0.62 0.00 1.70 2.10 -1.66 -1.75 116.57 119.56 2keq h LYS 130 Ca -0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2keq h LYS 130 Cb 1.25 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2keq h LYS 130 CO 0.64 0.41 0.00 -0.91 -2.00 0.00 0.00 179.45 177.58 2keq h ASN 131 N 0.63 0.00 0.00 7.07 4.21 -1.96 -3.47 115.58 122.06 2keq h ASN 131 Ca 0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.89 2keq h ASN 131 Cb 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2keq h ASN 131 CO -0.15 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.60 2keq n GLY 132 N 0.48 1.56 3.24 2.83 0.00 -0.66 -4.99 105.19 107.65 2keq n GLY 132 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 1.21 -0.17 1.61 0.08 -1.26 -0.56 117.98 116.90 2keq s PHE 133 Ca 0.00 -1.07 -0.05 0.00 0.12 0.00 0.00 56.93 55.93 2keq s PHE 133 Cb 0.00 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 2keq s PHE 133 CO 0.00 -0.27 -0.01 0.42 -0.10 0.00 0.00 175.22 175.26 2keq s ILE 134 N -3.73 4.13 0.18 0.64 1.09 -1.19 -0.48 121.20 121.84 2keq s ILE 134 Ca 0.26 -0.27 0.07 0.00 -1.10 0.00 0.00 60.65 59.61 2keq s ILE 134 Cb 0.06 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.60 2keq s ILE 134 CO 0.05 0.48 0.01 0.00 -0.10 0.00 0.00 174.94 175.38 2keq s ALA 135 N 0.43 3.22 -0.07 9.38 0.00 -0.35 -1.99 121.76 132.38 2keq s ALA 135 Ca -0.02 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 2keq s ALA 135 Cb -0.14 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.03 2keq s ALA 135 CO 0.02 0.46 0.14 -1.54 0.00 0.00 0.00 175.76 174.84 2keq s SER 136 N -3.04 0.61 0.00 0.00 1.04 -0.53 -1.35 113.70 110.43 2keq s SER 136 Ca 0.28 0.29 0.26 0.00 0.48 0.00 0.00 55.95 57.26 2keq s SER 136 Cb -0.09 0.20 1.54 0.00 0.10 0.00 0.00 66.02 67.77 2keq s SER 136 CO 0.19 -0.22 1.89 -3.20 0.98 0.00 0.00 173.24 172.88