#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keq n GLY 0 N 0.00 -0.37 3.80 -0.02 0.00 -0.97 -4.14 105.19 103.49 2keq n GLY 0 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 2keq n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2keq s ALA 1 N -1.99 -0.93 0.08 4.61 0.00 -1.26 -4.78 121.76 117.49 2keq s ALA 1 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.54 2keq s ALA 1 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2keq s ALA 1 CO 0.00 -0.99 -0.24 -0.51 0.00 0.00 0.00 175.76 174.02 2keq s LEU 2 N -2.97 2.23 0.90 0.00 1.43 -0.36 -2.40 118.68 117.51 2keq s LEU 2 Ca 0.14 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2keq s LEU 2 Cb -0.05 -1.12 0.13 0.00 0.03 0.00 0.00 46.19 45.18 2keq s LEU 2 CO 0.08 0.18 1.09 -0.55 0.23 0.00 0.00 176.35 177.39 2keq s SER 3 N -1.53 3.39 0.21 2.29 0.15 -0.70 -0.97 113.70 116.53 2keq s SER 3 Ca 0.10 1.54 -0.10 0.00 0.70 0.00 0.00 55.95 58.20 2keq s SER 3 Cb -0.10 -2.21 0.28 0.00 -1.71 0.00 0.00 66.02 62.28 2keq s SER 3 CO 0.03 -2.70 1.73 0.22 1.20 0.00 0.00 173.24 173.72 2keq h TYR 4 N -1.59 0.30 0.00 3.44 5.03 -1.92 -2.00 116.97 120.24 2keq h TYR 4 Ca -0.49 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.85 2keq h TYR 4 Cb 1.28 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.52 2keq h TYR 4 CO 0.43 0.04 0.00 -0.85 -1.32 0.00 0.00 178.16 176.46 2keq n GLU 5 N -5.06 0.02 -2.18 1.82 0.00 -1.26 -3.71 120.64 110.27 2keq n GLU 5 Ca 0.09 0.45 -0.43 0.00 0.00 0.00 0.00 57.16 57.26 2keq n GLU 5 Cb 0.29 -1.56 -0.02 0.00 0.00 0.00 0.00 31.44 30.15 2keq n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2keq s THR 6 N -3.06 3.72 -0.03 3.84 2.01 -0.75 -4.93 115.64 116.44 2keq s THR 6 Ca 0.02 0.75 -0.20 0.00 0.31 0.00 0.00 61.69 62.58 2keq s THR 6 Cb 0.03 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2keq s THR 6 CO 0.10 -0.54 0.56 -1.61 -0.69 0.00 0.00 174.62 172.44 2keq s GLU 7 N 5.12 4.29 -0.21 4.92 2.02 -1.26 -1.03 118.70 132.55 2keq s GLU 7 Ca 0.70 0.65 -0.06 0.00 0.02 0.00 0.00 54.97 56.28 2keq s GLU 7 Cb -0.19 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 2keq s GLU 7 CO 0.32 0.33 0.02 0.42 0.02 0.00 0.00 175.26 176.37 2keq s ILE 8 N -0.03 4.11 0.18 -1.63 -1.09 0.08 -2.68 121.20 120.15 2keq s ILE 8 Ca 0.30 -0.26 -0.31 0.00 -2.23 0.00 0.00 60.65 58.15 2keq s ILE 8 Cb -0.17 -2.87 -0.10 0.00 -1.58 0.00 0.00 42.46 37.74 2keq s ILE 8 CO 0.15 0.42 1.54 -0.22 -1.23 0.00 0.00 174.94 175.60 2keq s LEU 9 N 1.03 4.37 0.05 2.97 2.96 -1.25 -2.21 118.68 126.59 2keq s LEU 9 Ca 0.02 2.63 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 2keq s LEU 9 Cb -0.14 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2keq s LEU 9 CO 0.02 -0.80 -0.09 0.42 -1.32 0.00 0.00 176.35 174.58 2keq s THR 10 N 0.88 0.68 0.14 3.68 -4.23 -0.49 -4.18 115.64 112.12 2keq s THR 10 Ca 0.68 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2keq s THR 10 Cb -0.43 -0.77 -0.18 0.00 1.34 0.00 0.00 72.50 72.45 2keq s THR 10 CO 0.34 -0.37 1.32 0.58 -0.54 0.00 0.00 174.62 175.95 2keq h VAL 11 N 4.37 1.53 -0.05 2.29 2.07 -1.66 -2.03 116.25 122.77 2keq h VAL 11 Ca -0.37 -2.82 -0.10 0.00 0.82 0.00 0.00 66.70 64.24 2keq h VAL 11 Cb 1.20 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2keq h VAL 11 CO 0.42 0.82 -0.42 -0.33 0.02 0.00 0.00 177.57 178.07 2keq h GLU 12 N 0.09 0.10 0.00 1.57 4.39 -1.96 -3.43 114.58 115.34 2keq h GLU 12 Ca -0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2keq h GLU 12 Cb 1.63 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2keq h GLU 12 CO 0.15 0.51 0.00 0.66 -1.16 0.00 0.00 179.01 179.17 2keq n TYR 13 N -4.03 -0.18 0.00 4.33 4.01 -1.25 -5.11 117.16 114.94 2keq n TYR 13 Ca -0.02 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2keq n TYR 13 Cb 0.47 0.51 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 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 1.48 0.60 3.59 2.72 0.00 -0.76 -4.97 105.19 107.84 2keq n GLY 14 Ca 0.00 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 3.47 0.05 0.99 1.43 -1.26 -1.40 118.68 121.96 2keq s LEU 15 Ca 0.00 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 2keq s LEU 15 Cb 0.00 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 2keq s LEU 15 CO 0.00 -1.85 -0.11 -0.76 0.23 0.00 0.00 176.35 173.86 2keq s LEU 16 N 7.41 2.24 0.08 1.79 1.43 -0.94 -4.90 118.68 125.78 2keq s LEU 16 Ca 0.78 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 2keq s LEU 16 Cb -0.21 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 2keq s LEU 16 CO 0.31 -0.11 1.56 -2.16 0.23 0.00 0.00 176.35 176.18 2keq s PRO 17 N -1.51 4.23 0.39 1.29 0.04 -1.26 -0.74 135.00 137.45 2keq s PRO 17 Ca -0.05 2.23 0.12 0.00 0.04 0.00 0.00 61.00 63.35 2keq s PRO 17 Cb -0.09 -3.47 0.93 0.00 0.04 0.00 0.00 34.50 31.91 2keq s PRO 17 CO 0.01 -0.64 1.90 0.97 0.04 0.00 0.00 177.00 179.28 2keq h ILE 18 N 4.62 0.83 -0.50 0.56 2.10 -1.16 -1.97 117.51 121.99 2keq h ILE 18 Ca -0.42 -0.19 -0.05 0.00 1.08 0.00 0.00 64.86 65.28 2keq h ILE 18 Cb 1.20 0.23 -0.02 0.00 -1.09 0.00 0.00 36.82 37.13 2keq h ILE 18 CO 0.91 0.10 0.11 1.23 -1.08 0.00 0.00 178.15 179.42 2keq h GLY 19 N 0.55 0.83 1.63 8.18 0.00 -1.79 -2.19 103.07 110.28 2keq h GLY 19 Ca 0.40 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2keq h GLY 19 CO -0.15 0.45 -0.48 1.70 0.00 0.00 0.00 176.54 178.05 2keq h LYS 20 N 0.75 0.40 -0.50 4.80 3.64 -1.65 0.98 116.57 124.99 2keq h LYS 20 Ca 0.16 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2keq h LYS 20 Cb 0.30 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2keq h LYS 20 CO 0.00 0.80 0.10 0.82 -2.27 0.00 0.00 179.45 178.90 2keq h ILE 21 N 0.32 1.22 0.11 2.00 2.04 -1.28 -1.39 117.51 120.53 2keq h ILE 21 Ca 0.02 -0.82 -0.35 0.00 1.00 0.00 0.00 64.86 64.71 2keq h ILE 21 Cb 0.97 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2keq h ILE 21 CO 0.08 0.30 -1.89 0.58 0.00 0.00 0.00 178.15 177.22 2keq h VAL 22 N 0.74 0.73 0.00 1.67 2.07 -1.26 0.62 116.25 120.82 2keq h VAL 22 Ca 0.16 -2.45 -0.06 0.00 0.82 0.00 0.00 66.70 65.18 2keq h VAL 22 Cb 0.31 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2keq h VAL 22 CO 0.00 0.83 -0.28 -0.33 0.02 0.00 0.00 177.57 177.81 2keq h GLU 23 N 0.06 0.00 -0.06 1.57 5.08 -0.81 -3.17 114.58 117.25 2keq h GLU 23 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2keq h GLU 23 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2keq h GLU 23 CO 0.10 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 180.02 2keq n LYS 24 N -3.70 0.71 -3.96 2.33 4.76 -0.53 -5.03 118.16 112.75 2keq n LYS 24 Ca -0.01 -1.14 -0.27 0.00 -2.87 0.00 0.00 58.31 54.02 2keq n LYS 24 Cb 0.39 -1.14 -0.01 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.30 -3.64 -2.40 1.97 3.00 -0.58 -4.93 116.66 110.40 2keq n ARG 25 Ca 0.05 0.44 -0.42 0.00 -0.01 0.00 0.00 57.85 57.91 2keq n ARG 25 Cb 0.22 -4.76 -0.03 0.00 0.00 0.00 0.00 32.46 27.89 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 -3.78 3.97 -0.09 0.55 1.01 0.11 -5.01 121.20 117.96 2keq s ILE 26 Ca 0.16 1.41 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 2keq s ILE 26 Cb -0.08 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2keq s ILE 26 CO 0.88 0.10 0.44 -1.83 0.00 0.00 0.00 174.94 174.53 2keq s GLU 27 N 1.14 4.22 0.34 2.79 4.04 -1.26 -4.90 118.70 125.07 2keq s GLU 27 Ca 0.59 0.40 -0.18 0.00 0.04 0.00 0.00 54.97 55.82 2keq s GLU 27 Cb -0.30 -3.38 0.04 0.00 0.02 0.00 0.00 34.13 30.52 2keq s GLU 27 CO 0.29 0.31 0.78 0.00 -1.84 0.00 0.00 175.26 174.80 2keq s THR 29 N -2.92 4.34 0.39 0.00 2.01 -1.26 -1.76 115.64 116.44 2keq s THR 29 Ca 0.14 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2keq s THR 29 Cb -0.05 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 2keq s THR 29 CO 0.09 0.27 0.05 0.68 -0.69 0.00 0.00 174.62 175.02 2keq s VAL 30 N -1.22 1.24 -0.05 3.82 -7.23 0.20 -1.78 120.40 115.38 2keq s VAL 30 Ca 0.24 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 2keq s VAL 30 Cb -0.12 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2keq s VAL 30 CO 0.15 0.00 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.49 2keq s TYR 31 N -3.09 2.69 -0.07 2.82 1.51 -1.26 -1.73 117.35 118.22 2keq s TYR 31 Ca 0.29 -0.17 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 2keq s TYR 31 Cb 0.07 -1.63 0.08 0.00 -0.11 0.00 0.00 41.96 40.37 2keq s TYR 31 CO 0.14 0.18 0.75 0.45 -1.11 0.00 0.00 175.55 175.96 2keq s SER 32 N -0.72 -0.59 0.24 2.29 0.15 -0.77 -0.99 113.70 113.31 2keq s SER 32 Ca 0.11 0.64 -0.21 0.00 0.70 0.00 0.00 55.95 57.20 2keq s SER 32 Cb -0.11 0.49 -0.09 0.00 -1.71 0.00 0.00 66.02 64.60 2keq s SER 32 CO 0.00 -0.55 0.76 0.68 1.20 0.00 0.00 173.24 175.34 2keq s VAL 33 N -1.19 4.51 0.83 4.45 -7.23 -1.26 -0.37 120.40 120.13 2keq s VAL 33 Ca -0.09 1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 61.32 2keq s VAL 33 Cb -0.00 -3.88 0.19 0.00 0.56 0.00 0.00 36.38 33.24 2keq s VAL 33 CO 0.08 0.20 1.13 -0.67 -0.31 0.00 0.00 175.10 175.52 2keq n ASP 34 N 0.70 0.12 0.26 4.85 2.03 -0.65 -4.88 116.55 118.99 2keq n ASP 34 Ca -0.02 -1.43 0.18 0.00 0.52 0.00 0.00 54.79 54.05 2keq n ASP 34 Cb 0.51 -0.86 0.89 0.00 -0.72 0.00 0.00 41.12 40.94 2keq n ASP 34 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2keq h ASN 35 N -1.46 0.00 0.43 1.67 2.35 -1.99 -1.39 115.58 115.18 2keq h ASN 35 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2keq h ASN 35 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2keq h ASN 35 CO 0.26 0.00 -0.63 0.59 -1.65 0.00 0.00 177.43 176.00 2keq n ASN 36 N -3.32 0.60 0.00 5.81 3.02 -1.26 -4.98 115.26 115.14 2keq n ASN 36 Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2keq n ASN 36 Cb 0.33 0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 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 1.48 0.74 3.62 7.41 0.00 -0.52 -5.07 105.19 112.85 2keq n GLY 37 Ca 0.05 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.19 6.59 -0.48 1.61 0.01 -1.26 -4.77 114.94 114.45 2keq s ASN 38 Ca 0.00 0.66 -0.27 0.00 -0.71 0.00 0.00 52.86 52.54 2keq s ASN 38 Cb 0.00 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2keq s ASN 38 CO 0.00 -0.45 1.93 -0.63 -1.51 0.00 0.00 177.10 176.44 2keq s ILE 39 N 2.63 3.34 0.56 0.60 1.01 -1.26 -1.63 121.20 126.45 2keq s ILE 39 Ca 0.28 0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.28 2keq s ILE 39 Cb -0.15 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.72 2keq s ILE 39 CO 0.10 -0.57 0.65 -0.72 0.00 0.00 0.00 174.94 174.40 2keq s TYR 40 N 8.69 1.47 -0.01 3.97 -0.85 0.50 -4.91 117.35 126.20 2keq s TYR 40 Ca 0.77 -0.77 0.05 0.00 -0.52 0.00 0.00 57.07 56.60 2keq s TYR 40 Cb -0.18 -2.10 -0.01 0.00 0.38 0.00 0.00 41.96 40.05 2keq s TYR 40 CO 0.27 -0.91 -0.16 0.95 -1.52 0.00 0.00 175.55 174.18 2keq s THR 41 N -2.71 1.26 -0.01 -3.49 -4.23 -1.26 -1.85 115.64 103.35 2keq s THR 41 Ca 0.52 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 60.27 2keq s THR 41 Cb -0.04 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.75 2keq s THR 41 CO 0.32 0.35 0.14 0.00 -0.54 0.00 0.00 174.62 174.90 2keq s GLN 42 N -0.38 0.43 0.56 3.99 -2.07 -0.71 -4.94 119.66 116.54 2keq s GLN 42 Ca 0.06 -0.28 -0.18 0.00 -1.82 0.00 0.00 55.36 53.15 2keq s GLN 42 Cb -0.06 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 2keq s GLN 42 CO -0.01 -0.10 1.07 -1.25 -1.32 0.00 0.00 175.29 173.68 2keq s PRO 43 N -1.10 3.42 0.25 9.60 0.04 -1.26 -0.63 135.00 145.32 2keq s PRO 43 Ca -0.12 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 2keq s PRO 43 Cb -0.06 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 2keq s PRO 43 CO 0.01 -0.74 1.59 0.08 0.04 0.00 0.00 177.00 177.98 2keq s VAL 44 N -2.21 2.24 -0.18 -0.36 1.01 -0.72 -4.78 120.40 115.41 2keq s VAL 44 Ca 0.66 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 2keq s VAL 44 Cb -0.18 -3.12 -0.22 0.00 0.00 0.00 0.00 36.38 32.86 2keq s VAL 44 CO 0.31 0.03 0.41 0.00 0.00 0.00 0.00 175.10 175.84 2keq h ALA 45 N 5.57 0.18 -2.89 5.51 0.00 -1.39 -3.47 119.26 122.77 2keq h ALA 45 Ca -0.45 -0.99 -0.21 0.00 0.00 0.00 0.00 54.91 53.25 2keq h ALA 45 Cb 1.21 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 2keq h ALA 45 CO 0.84 0.51 -0.18 -0.65 0.00 0.00 0.00 179.25 179.77 2keq s GLN 46 N -2.33 1.80 -0.05 0.00 -1.52 -0.94 -4.96 119.66 111.65 2keq s GLN 46 Ca -0.25 -1.62 0.02 0.00 -1.95 0.00 0.00 55.36 51.56 2keq s GLN 46 Cb 0.03 0.45 0.02 0.00 -0.22 0.00 0.00 33.01 33.29 2keq s GLN 46 CO 0.63 -0.75 -0.08 -1.58 -0.25 0.00 0.00 175.29 173.27 2keq s TRP 47 N -3.30 1.09 -0.03 0.91 0.51 -1.26 -0.75 118.94 116.11 2keq s TRP 47 Ca 0.28 -0.37 0.03 0.00 -2.12 0.00 0.00 56.10 53.92 2keq s TRP 47 Cb -0.00 -0.86 0.00 0.00 -0.81 0.00 0.00 33.47 31.80 2keq s TRP 47 CO 0.17 -0.23 -0.10 -1.01 -0.51 0.00 0.00 176.95 175.27 2keq s HIS 48 N 0.78 1.00 -0.19 -1.98 3.76 -1.00 -4.93 115.29 112.73 2keq s HIS 48 Ca -0.13 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2keq s HIS 48 Cb -0.15 -0.71 0.04 0.00 1.11 0.00 0.00 32.58 32.88 2keq s HIS 48 CO 0.02 -0.10 -0.07 0.16 -0.85 0.00 0.00 174.74 173.90 2keq s ASP 49 N 0.15 3.19 0.17 1.40 -4.77 -1.26 -1.74 116.67 113.80 2keq s ASP 49 Ca -0.03 -0.82 0.09 0.00 -3.30 0.00 0.00 52.55 48.49 2keq s ASP 49 Cb -0.08 -1.07 -0.05 0.00 -1.09 0.00 0.00 42.92 40.62 2keq s ASP 49 CO 0.01 -0.18 1.37 0.03 0.70 0.00 0.00 175.17 177.10 2keq h ARG 50 N 8.04 0.00 0.00 2.11 2.47 -1.87 -3.49 114.38 121.65 2keq h ARG 50 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2keq h ARG 50 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2keq h ARG 50 CO 0.43 0.87 0.00 0.41 0.56 0.00 0.00 179.97 182.24 2keq n GLY 51 N 1.08 2.49 3.19 0.04 0.00 -1.24 -4.78 105.19 105.97 2keq n GLY 51 Ca -0.00 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 0.38 0.25 1.61 2.02 -1.26 -3.96 118.70 117.74 2keq s GLU 52 Ca 0.00 0.71 0.04 0.00 0.02 0.00 0.00 54.97 55.74 2keq s GLU 52 Cb 0.00 0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.58 2keq s GLU 52 CO 0.00 -0.38 -0.01 -0.65 0.02 0.00 0.00 175.26 174.25 2keq s GLN 53 N 2.87 1.43 -0.50 1.61 -0.21 -1.18 -4.93 119.66 118.74 2keq s GLN 53 Ca 0.08 -1.73 -0.26 0.00 0.02 0.00 0.00 55.36 53.47 2keq s GLN 53 Cb -0.12 -0.77 -0.06 0.00 1.00 0.00 0.00 33.01 33.06 2keq s GLN 53 CO -0.16 -0.08 2.30 -1.83 -2.12 0.00 0.00 175.29 173.40 2keq s GLU 54 N -3.84 2.25 0.01 2.91 1.03 -1.26 -3.11 118.70 116.68 2keq s GLU 54 Ca 0.30 1.30 -0.17 0.00 0.03 0.00 0.00 54.97 56.42 2keq s GLU 54 Cb 0.06 -4.54 -0.06 0.00 -0.80 0.00 0.00 34.13 28.79 2keq s GLU 54 CO 0.10 -3.12 0.49 0.08 -1.33 0.00 0.00 175.26 171.48 2keq s VAL 55 N 11.44 4.94 -0.00 1.83 1.01 0.03 -4.37 120.40 135.28 2keq s VAL 55 Ca 0.92 1.02 0.07 0.00 0.00 0.00 0.00 61.98 64.00 2keq s VAL 55 Cb -0.17 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2keq s VAL 55 CO 0.26 0.52 -0.23 -0.36 0.00 0.00 0.00 175.10 175.28 2keq s PHE 56 N -0.74 2.43 0.14 5.22 0.40 -0.46 -1.73 117.98 123.25 2keq s PHE 56 Ca 0.26 -0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 2keq s PHE 56 Cb -0.18 -1.49 -0.09 0.00 0.51 0.00 0.00 43.02 41.77 2keq s PHE 56 CO 0.15 0.08 1.52 -2.00 0.70 0.00 0.00 175.22 175.67 2keq s GLU 57 N -0.90 4.25 -0.31 0.44 2.12 -0.36 -3.03 118.70 120.91 2keq s GLU 57 Ca 0.11 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.71 2keq s GLU 57 Cb -0.10 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 31.13 2keq s GLU 57 CO 0.01 -0.56 0.01 -0.47 -0.54 0.00 0.00 175.26 173.71 2keq s TYR 58 N 1.27 3.39 -0.01 5.30 5.04 -0.10 -3.76 117.35 128.48 2keq s TYR 58 Ca 0.68 -2.24 0.06 0.00 -2.44 0.00 0.00 57.07 53.14 2keq s TYR 58 Cb -0.41 -2.37 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 2keq s TYR 58 CO 0.31 -0.87 -0.19 0.00 -1.34 0.00 0.00 175.55 173.46 2keq s LEU 60 N -0.93 3.76 0.50 0.00 2.96 -0.67 -0.98 118.68 123.32 2keq s LEU 60 Ca 0.12 -0.37 0.25 0.00 -0.22 0.00 0.00 54.13 53.91 2keq s LEU 60 Cb -0.10 -2.49 1.32 0.00 0.50 0.00 0.00 46.19 45.41 2keq s LEU 60 CO 0.02 -0.45 2.03 -0.33 -1.32 0.00 0.00 176.35 176.30 2keq h GLU 61 N 1.01 0.00 0.00 1.98 4.39 -1.87 -2.37 114.58 117.72 2keq h GLU 61 Ca -0.44 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.19 2keq h GLU 61 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2keq h GLU 61 CO 0.54 0.15 -0.51 0.22 -1.16 0.00 0.00 179.01 178.26 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 0.02 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.29 2keq n GLY 63 N 1.20 0.86 3.73 -0.78 0.00 -0.89 -5.11 105.19 104.20 2keq n GLY 63 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.39 -4.07 1.61 7.64 -1.26 -4.77 113.62 116.16 2keq n SER 64 Ca 0.00 1.17 -0.29 0.00 1.01 0.00 0.00 58.87 60.76 2keq n SER 64 Cb 0.00 -1.54 -0.17 0.00 -1.01 0.00 0.00 64.21 61.49 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 -0.77 1.78 0.05 -3.43 1.98 -1.26 -1.67 118.68 115.36 2keq s LEU 65 Ca 0.61 -0.47 0.03 0.00 -2.89 0.00 0.00 54.13 51.41 2keq s LEU 65 Cb -0.54 -1.16 -0.03 0.00 0.66 0.00 0.00 46.19 45.12 2keq s LEU 65 CO 0.55 0.01 -0.09 -0.63 -1.89 0.00 0.00 176.35 174.30 2keq s ILE 66 N 1.04 0.65 -0.19 6.68 1.01 0.16 -5.03 121.20 125.50 2keq s ILE 66 Ca -0.05 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 2keq s ILE 66 Cb -0.15 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.60 2keq s ILE 66 CO -0.03 -0.41 0.07 -0.13 0.00 0.00 0.00 174.94 174.44 2keq s ARG 67 N -1.83 0.34 0.25 2.79 1.81 -1.26 -0.92 118.95 120.12 2keq s ARG 67 Ca -0.07 -0.29 -0.09 0.00 -1.72 0.00 0.00 55.73 53.56 2keq s ARG 67 Cb -0.08 -1.91 -0.01 0.00 -0.45 0.00 0.00 34.95 32.49 2keq s ARG 67 CO 0.00 -0.69 0.41 0.00 -0.68 0.00 0.00 175.30 174.33 2keq s ALA 68 N 2.00 0.16 0.28 2.13 0.00 -1.17 -1.72 121.76 123.44 2keq s ALA 68 Ca 0.01 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2keq s ALA 68 Cb -0.17 1.14 -0.06 0.00 0.00 0.00 0.00 23.12 24.04 2keq s ALA 68 CO -0.11 -0.79 0.58 0.95 0.00 0.00 0.00 175.76 176.38 2keq s THR 69 N -3.94 4.96 -1.50 0.00 -4.23 -1.01 -1.35 115.64 108.58 2keq s THR 69 Ca 0.27 0.27 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 2keq s THR 69 Cb 0.01 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.30 2keq s THR 69 CO 0.11 -0.26 1.09 0.29 -0.54 0.00 0.00 174.62 175.31 2keq n LYS 70 N -0.71 0.13 0.00 3.99 5.02 -1.26 -1.87 118.16 123.46 2keq n LYS 70 Ca -0.00 0.19 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 2keq n LYS 70 Cb 0.53 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.25 1.66 -4.69 4.39 8.00 -1.26 -4.29 116.55 119.11 2keq n ASP 71 Ca 0.04 -1.31 -0.40 0.00 0.71 0.00 0.00 54.79 53.82 2keq n ASP 71 Cb 0.06 0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.63 3.50 0.41 1.24 2.46 -0.78 -2.29 115.29 117.19 2keq s HIS 72 Ca 0.16 1.24 -0.10 0.00 0.47 0.00 0.00 55.06 56.83 2keq s HIS 72 Cb 0.18 -2.90 -0.06 0.00 -0.13 0.00 0.00 32.58 29.67 2keq s HIS 72 CO 0.65 -0.07 0.77 0.15 -2.47 0.00 0.00 174.74 173.77 2keq s LYS 73 N 1.44 3.75 0.01 2.88 3.01 -1.10 -3.03 119.74 126.70 2keq s LYS 73 Ca 0.38 0.44 0.01 0.00 -1.01 0.00 0.00 55.97 55.78 2keq s LYS 73 Cb -0.17 -2.39 -0.01 0.00 -1.01 0.00 0.00 37.83 34.25 2keq s LYS 73 CO 0.16 -0.05 -0.03 -0.06 0.51 0.00 0.00 175.35 175.88 2keq s PHE 74 N -2.40 0.28 -0.57 3.18 0.40 -1.05 -1.39 117.98 116.43 2keq s PHE 74 Ca 0.51 -0.19 -0.27 0.00 -0.60 0.00 0.00 56.93 56.38 2keq s PHE 74 Cb -0.10 -0.18 -0.00 0.00 0.51 0.00 0.00 43.02 43.24 2keq s PHE 74 CO 0.33 -0.05 1.63 1.41 0.70 0.00 0.00 175.22 179.23 2keq s MET 75 N -0.51 3.02 1.21 0.44 1.75 -1.00 -3.89 119.30 120.32 2keq s MET 75 Ca -0.04 0.55 -0.15 0.00 -1.25 0.00 0.00 55.69 54.81 2keq s MET 75 Cb -0.04 -4.25 0.30 0.00 2.84 0.00 0.00 34.83 33.69 2keq s MET 75 CO -0.00 -2.27 1.01 0.95 -0.65 0.00 0.00 175.02 174.06 2keq s THR 76 N 7.34 1.84 0.59 10.11 -4.23 -0.78 -2.03 115.64 128.48 2keq s THR 76 Ca 0.60 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.39 2keq s THR 76 Cb -0.13 -2.12 0.37 0.00 1.34 0.00 0.00 72.50 71.96 2keq s THR 76 CO 0.23 0.00 1.98 -0.37 -0.54 0.00 0.00 174.62 175.93 2keq h VAL 77 N -2.75 0.38 0.00 2.29 -1.51 -1.80 0.06 116.25 112.92 2keq h VAL 77 Ca -0.58 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2keq h VAL 77 Cb 1.34 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2keq h VAL 77 CO 0.47 0.00 -1.01 -0.67 -1.23 0.00 0.00 177.57 175.13 2keq n ASP 78 N -3.69 0.73 0.00 4.19 2.03 -1.26 -4.89 116.55 113.66 2keq n ASP 78 Ca 0.05 -0.59 0.00 0.00 0.52 0.00 0.00 54.79 54.77 2keq n ASP 78 Cb 0.50 0.91 0.00 0.00 -0.72 0.00 0.00 41.12 41.81 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 1.45 0.71 3.77 0.27 0.00 0.01 -5.10 105.19 106.30 2keq n GLY 79 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 3.96 -1.00 1.61 -1.52 -1.26 -4.47 119.66 116.43 2keq s GLN 80 Ca 0.00 2.47 -0.10 0.00 -1.95 0.00 0.00 55.36 55.78 2keq s GLN 80 Cb 0.00 -2.84 0.25 0.00 -0.22 0.00 0.00 33.01 30.20 2keq s GLN 80 CO 0.00 -0.62 0.97 -1.64 -0.25 0.00 0.00 175.29 173.75 2keq s MET 81 N -2.22 3.92 0.07 2.91 -1.94 -1.26 -1.87 119.30 118.91 2keq s MET 81 Ca 0.56 -3.00 0.08 0.00 -1.71 0.00 0.00 55.69 51.61 2keq s MET 81 Cb -0.45 -4.45 -0.03 0.00 2.01 0.00 0.00 34.83 31.91 2keq s MET 81 CO 0.59 -1.25 -0.18 -0.51 -0.01 0.00 0.00 175.02 173.66 2keq s LEU 82 N -0.85 2.65 0.52 -0.03 1.43 -1.25 -4.88 118.68 116.27 2keq s LEU 82 Ca 0.27 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 2keq s LEU 82 Cb -0.10 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 2keq s LEU 82 CO -0.09 0.23 1.17 -2.16 0.23 0.00 0.00 176.35 175.73 2keq s PRO 83 N -1.68 3.41 0.56 1.29 0.04 -1.26 -2.53 135.00 134.83 2keq s PRO 83 Ca 0.16 1.74 0.24 0.00 0.04 0.00 0.00 61.00 63.18 2keq s PRO 83 Cb -0.11 -2.14 1.58 0.00 0.04 0.00 0.00 34.50 33.87 2keq s PRO 83 CO 0.07 -0.83 2.20 0.97 0.04 0.00 0.00 177.00 179.44 2keq h ILE 84 N 1.38 0.71 -0.62 0.56 2.10 -1.72 -0.29 117.51 119.63 2keq h ILE 84 Ca -0.50 -0.08 0.12 0.00 1.08 0.00 0.00 64.86 65.49 2keq h ILE 84 Cb 1.27 1.05 -0.04 0.00 -1.09 0.00 0.00 36.82 38.00 2keq h ILE 84 CO 0.58 0.02 0.42 -0.78 -1.08 0.00 0.00 178.15 177.31 2keq h ASP 85 N 0.00 0.28 0.39 2.19 3.58 -1.90 -2.34 116.42 118.62 2keq h ASP 85 Ca -0.00 0.01 -0.31 0.00 0.42 0.00 0.00 57.03 57.15 2keq h ASP 85 Cb 0.04 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 2keq h ASP 85 CO 0.00 0.16 -1.83 1.21 -2.88 0.00 0.00 179.24 175.90 2keq n GLU 86 N -4.45 0.65 -0.28 0.28 2.13 -0.15 -3.82 120.64 114.99 2keq n GLU 86 Ca 0.11 0.26 -0.04 0.00 0.66 0.00 0.00 57.16 58.14 2keq n GLU 86 Cb 0.47 -1.75 0.07 0.00 0.27 0.00 0.00 31.44 30.50 2keq n GLU 86 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2keq h ILE 87 N 0.01 1.21 -0.81 6.31 2.04 -1.16 -2.42 117.51 122.68 2keq h ILE 87 Ca -0.33 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 2keq h ILE 87 Cb 2.04 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 2keq h ILE 87 CO 0.07 0.20 0.39 0.15 0.00 0.00 0.00 178.15 178.97 2keq h PHE 88 N 1.05 1.15 -0.15 1.37 3.57 -1.58 -0.44 116.94 121.92 2keq h PHE 88 Ca 0.28 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2keq h PHE 88 Cb -0.10 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.28 2keq h PHE 88 CO -0.02 0.83 -0.29 0.93 -2.23 0.00 0.00 178.31 177.54 2keq h GLU 89 N 1.15 0.47 0.00 1.11 4.39 -1.59 -3.09 114.58 117.01 2keq h GLU 89 Ca 0.28 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2keq h GLU 89 Cb 0.11 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2keq h GLU 89 CO -0.04 0.90 0.00 0.54 -1.16 0.00 0.00 179.01 179.25 2keq n ARG 90 N -4.39 0.06 -3.47 2.33 3.00 -0.94 -4.94 116.66 108.30 2keq n ARG 90 Ca -0.06 0.10 -0.25 0.00 -0.01 0.00 0.00 57.85 57.63 2keq n ARG 90 Cb 0.47 -1.58 0.04 0.00 0.00 0.00 0.00 32.46 31.39 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 -1.68 -5.68 -2.65 5.56 1.02 -0.22 -4.99 120.64 111.99 2keq n GLU 91 Ca 0.06 0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 57.61 2keq n GLU 91 Cb 0.32 -5.64 -0.05 0.00 -0.02 0.00 0.00 31.44 26.05 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 -6.99 3.85 0.50 -4.62 1.43 -0.93 -4.73 118.68 107.18 2keq s LEU 92 Ca 0.50 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2keq s LEU 92 Cb -0.23 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.46 2keq s LEU 92 CO 0.61 -0.54 0.71 -1.81 0.23 0.00 0.00 176.35 175.56 2keq s ASP 93 N -2.29 5.55 0.04 2.29 1.01 -1.26 -4.17 116.67 117.83 2keq s ASP 93 Ca 0.63 0.10 0.07 0.00 0.71 0.00 0.00 52.55 54.05 2keq s ASP 93 Cb -0.11 -1.16 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 2keq s ASP 93 CO 0.19 -0.92 -0.18 -0.76 0.21 0.00 0.00 175.17 173.71 2keq s LEU 94 N -4.64 2.62 0.52 1.23 1.43 -1.26 -2.95 118.68 115.62 2keq s LEU 94 Ca 0.53 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 53.01 2keq s LEU 94 Cb -0.10 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 2keq s LEU 94 CO 0.38 0.26 1.17 -0.32 0.23 0.00 0.00 176.35 178.06 2keq s MET 95 N -1.41 3.45 0.13 1.70 -2.45 -0.86 -4.58 119.30 115.28 2keq s MET 95 Ca 0.15 1.74 0.08 0.00 -1.25 0.00 0.00 55.69 56.41 2keq s MET 95 Cb -0.10 -2.17 -0.04 0.00 1.25 0.00 0.00 34.83 33.77 2keq s MET 95 CO 0.05 -0.80 -0.20 1.03 1.05 0.00 0.00 175.02 176.15 2keq s ARG 96 N -3.04 1.18 0.11 4.11 3.00 -1.26 -4.10 118.95 118.95 2keq s ARG 96 Ca 0.70 -1.26 -0.05 0.00 0.00 0.00 0.00 55.73 55.12 2keq s ARG 96 Cb -0.28 -1.37 -0.17 0.00 0.00 0.00 0.00 34.95 33.14 2keq s ARG 96 CO 0.32 0.30 1.24 0.28 0.00 0.00 0.00 175.30 177.44 2keq h VAL 97 N 3.75 1.42 -0.42 3.52 2.07 -1.25 -3.33 116.25 122.01 2keq h VAL 97 Ca -0.45 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.44 2keq h VAL 97 Cb 1.19 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2keq h VAL 97 CO 0.44 0.78 0.00 -0.67 0.02 0.00 0.00 177.57 178.14 2keq n ASP 98 N -3.68 2.41 -2.68 0.57 2.03 -1.26 -4.89 116.55 109.05 2keq n ASP 98 Ca -0.08 -2.04 -0.19 0.00 0.52 0.00 0.00 54.79 53.00 2keq n ASP 98 Cb 0.91 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2keq n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2keq n ASN 99 N 0.72 -5.16 -4.73 1.67 3.02 -1.25 -5.00 115.26 104.53 2keq n ASN 99 Ca 0.14 -0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 2keq n ASN 99 Cb 0.40 -4.28 0.09 0.00 -0.61 0.00 0.00 39.78 35.38 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 -6.14 3.27 0.10 3.41 1.43 -1.26 -4.98 118.68 114.52 2keq s LEU 100 Ca 0.12 2.22 -0.31 0.00 -1.03 0.00 0.00 54.13 55.13 2keq s LEU 100 Cb -0.06 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.50 2keq s LEU 100 CO 0.15 -2.17 1.55 -2.16 0.23 0.00 0.00 176.35 173.96 2keq s PRO 101 N -4.08 4.23 0.05 1.29 0.04 -1.26 -4.75 135.00 130.52 2keq s PRO 101 Ca 0.71 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.71 2keq s PRO 101 Cb -0.26 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 2keq s PRO 101 CO 0.46 -0.63 1.06 -0.80 0.04 0.00 0.00 177.00 177.13 2keq s ASN 102 N 1.72 7.28 -0.05 6.66 -0.87 -1.26 -5.04 114.94 123.38 2keq s ASN 102 Ca 0.70 1.83 -0.02 0.00 -1.57 0.00 0.00 52.86 53.80 2keq s ASN 102 Cb -0.40 -2.58 0.04 0.00 -0.02 0.00 0.00 41.25 38.29 2keq s ASN 102 CO 0.31 -0.30 0.10 0.27 -2.57 0.00 0.00 177.10 174.91 2keq s ILE 103 N 0.78 -0.09 1.10 0.60 -4.36 -1.26 -4.92 121.20 113.05 2keq s ILE 103 Ca 0.53 0.24 -0.12 0.00 -0.26 0.00 0.00 60.65 61.04 2keq s ILE 103 Cb -0.25 -0.19 0.25 0.00 1.25 0.00 0.00 42.46 43.52 2keq s ILE 103 CO 0.29 0.10 1.06 -1.59 0.24 0.00 0.00 174.94 175.04 2keq s LYS 104 N 1.40 -0.42 -0.08 0.37 0.00 -1.26 -4.41 119.74 115.34 2keq s LYS 104 Ca -0.06 1.07 -0.29 0.00 0.00 0.00 0.00 55.97 56.69 2keq s LYS 104 Cb -0.12 -1.59 -0.07 0.00 0.00 0.00 0.00 37.83 36.05 2keq s LYS 104 CO -0.05 -3.46 2.01 0.42 0.00 0.00 0.00 175.35 174.28 2keq s ILE 105 N -2.50 3.10 0.06 3.79 1.01 -1.26 -4.01 121.20 121.40 2keq s ILE 105 Ca 0.68 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 61.29 2keq s ILE 105 Cb -0.25 -3.09 -0.18 0.00 0.01 0.00 0.00 42.46 38.95 2keq s ILE 105 CO 0.63 -0.03 1.25 0.00 0.00 0.00 0.00 174.94 176.78 2keq h ALA 106 N 12.10 0.22 -2.69 9.38 0.00 -1.31 -3.47 119.26 133.49 2keq h ALA 106 Ca -0.45 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 53.78 2keq h ALA 106 Cb 1.23 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.79 2keq h ALA 106 CO 0.95 0.51 -0.30 0.95 0.00 0.00 0.00 179.25 181.36 2keq s THR 107 N -3.65 0.04 -0.04 0.00 -4.23 -1.17 -5.01 115.64 101.58 2keq s THR 107 Ca -0.12 -0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 2keq s THR 107 Cb 0.07 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.37 2keq s THR 107 CO 0.86 -0.16 0.13 -0.60 -0.54 0.00 0.00 174.62 174.31 2keq s ARG 108 N -0.73 0.24 -0.02 3.99 3.00 -1.26 -2.48 118.95 121.69 2keq s ARG 108 Ca -0.08 0.01 -0.23 0.00 -1.00 0.00 0.00 55.73 54.43 2keq s ARG 108 Cb -0.04 0.11 0.05 0.00 0.00 0.00 0.00 34.95 35.07 2keq s ARG 108 CO 0.03 -0.04 0.51 0.15 0.00 0.00 0.00 175.30 175.94 2keq s LYS 109 N -0.34 0.91 0.16 5.12 1.02 -1.25 -5.02 119.74 120.35 2keq s LYS 109 Ca -0.04 -0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.63 2keq s LYS 109 Cb -0.03 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.61 2keq s LYS 109 CO 0.00 -0.29 1.45 -0.47 -0.92 0.00 0.00 175.35 175.13 2keq s TYR 110 N -1.52 3.15 -0.25 3.18 5.04 -1.26 -1.22 117.35 124.48 2keq s TYR 110 Ca -0.11 0.88 -0.08 0.00 -2.44 0.00 0.00 57.07 55.33 2keq s TYR 110 Cb -0.02 -3.77 -0.16 0.00 0.35 0.00 0.00 41.96 38.36 2keq s TYR 110 CO 0.05 -2.71 -0.19 1.28 -1.34 0.00 0.00 175.55 172.64 2keq n LEU 111 N 3.58 2.42 0.00 6.97 4.77 -0.71 -4.89 117.00 129.14 2keq n LEU 111 Ca 0.11 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2keq n LEU 111 Cb 0.41 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2keq n LEU 111 CO 0.60 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 2keq n GLY 112 N 1.73 0.13 2.90 -0.72 0.00 -1.19 -5.05 105.19 102.99 2keq n GLY 112 Ca -0.47 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 1.50 0.19 1.61 2.20 -1.26 -0.79 119.74 121.19 2keq s LYS 113 Ca 0.00 -2.04 0.08 0.00 -0.36 0.00 0.00 55.97 53.64 2keq s LYS 113 Cb 0.00 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2keq s LYS 113 CO 0.00 -1.05 0.01 -0.65 -0.36 0.00 0.00 175.35 173.30 2keq s GLN 114 N 0.49 2.42 -0.06 4.03 -0.21 -1.18 -4.84 119.66 120.31 2keq s GLN 114 Ca 0.14 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 2keq s GLN 114 Cb -0.22 -2.34 -0.06 0.00 1.00 0.00 0.00 33.01 31.39 2keq s GLN 114 CO -0.06 0.44 1.81 1.21 -2.12 0.00 0.00 175.29 176.56 2keq s ASN 115 N -3.11 6.44 0.12 5.90 3.04 -1.25 -3.11 114.94 122.97 2keq s ASN 115 Ca 0.28 2.26 0.09 0.00 0.04 0.00 0.00 52.86 55.54 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 0.19 -1.11 -0.23 0.68 -3.04 0.00 0.00 177.10 173.58 2keq s VAL 116 N 4.75 1.96 0.07 -5.21 -7.23 -1.26 -3.69 120.40 109.79 2keq s VAL 116 Ca 0.81 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2keq s VAL 116 Cb -0.35 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2keq s VAL 116 CO 0.34 -0.02 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.76 2keq s TYR 117 N -1.19 0.64 -0.27 2.82 1.51 -0.15 -2.45 117.35 118.27 2keq s TYR 117 Ca 0.11 -0.98 -0.05 0.00 -1.01 0.00 0.00 57.07 55.13 2keq s TYR 117 Cb -0.10 -0.43 0.15 0.00 -0.11 0.00 0.00 41.96 41.47 2keq s TYR 117 CO 0.05 -0.29 0.55 0.16 -1.11 0.00 0.00 175.55 174.92 2keq s ASP 118 N -2.88 -0.86 0.67 2.29 -4.77 -0.71 -1.22 116.67 109.18 2keq s ASP 118 Ca 0.07 0.98 -0.15 0.00 -3.30 0.00 0.00 52.55 50.16 2keq s ASP 118 Cb 0.06 1.90 0.01 0.00 -1.09 0.00 0.00 42.92 43.80 2keq s ASP 118 CO -0.08 -0.25 1.13 0.27 0.70 0.00 0.00 175.17 176.94 2keq s ILE 119 N 2.78 3.03 0.13 2.11 -4.36 -1.26 -2.38 121.20 121.25 2keq s ILE 119 Ca 0.08 0.49 0.06 0.00 -0.26 0.00 0.00 60.65 61.03 2keq s ILE 119 Cb -0.14 -3.01 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2keq s ILE 119 CO -0.18 -0.29 -0.02 -0.83 0.24 0.00 0.00 174.94 173.86 2keq s GLY 120 N -2.44 1.80 -0.07 6.27 0.00 0.07 -4.89 107.32 108.05 2keq s GLY 120 Ca 0.69 -1.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.05 2keq s GLY 120 CO 0.42 -1.26 0.25 0.14 0.00 0.00 0.00 173.10 172.65 2keq s VAL 121 N -1.49 0.02 -0.13 1.40 1.01 -1.26 -0.94 120.40 119.00 2keq s VAL 121 Ca 0.26 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 2keq s VAL 121 Cb -0.10 -0.40 -0.26 0.00 0.00 0.00 0.00 36.38 35.61 2keq s VAL 121 CO 0.18 -0.08 0.74 -0.08 0.00 0.00 0.00 175.10 175.86 2keq h GLU 122 N 5.32 0.04 0.14 2.72 4.81 -1.95 -3.40 114.58 122.25 2keq h GLU 122 Ca -0.27 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 2keq h GLU 122 Cb 1.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2keq h GLU 122 CO 0.36 1.03 -0.07 0.00 -0.73 0.00 0.00 179.01 179.61 2keq h ARG 123 N -0.91 -0.18 -2.73 1.92 3.08 -1.99 -3.45 114.38 110.12 2keq h ARG 123 Ca -0.05 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2keq h ARG 123 Cb 1.11 0.04 -0.28 0.00 0.08 0.00 0.00 29.97 30.92 2keq h ARG 123 CO 0.01 0.24 -0.40 -0.51 -1.07 0.00 0.00 179.97 178.24 2keq s ASP 124 N -5.44 -0.25 -1.19 7.04 1.01 -1.26 -5.08 116.67 111.50 2keq s ASP 124 Ca -0.14 0.78 -0.08 0.00 0.71 0.00 0.00 52.55 53.82 2keq s ASP 124 Cb 0.02 0.81 -0.08 0.00 1.01 0.00 0.00 42.92 44.67 2keq s ASP 124 CO 0.58 -0.20 2.56 1.41 0.21 0.00 0.00 175.17 179.73 2keq n HIS 125 N 4.70 1.77 -3.95 4.23 8.25 -1.26 -4.74 115.22 124.22 2keq n HIS 125 Ca -0.17 -2.44 -0.10 0.00 -0.26 0.00 0.00 57.72 54.75 2keq n HIS 125 Cb 0.52 -2.04 -0.07 0.00 1.12 0.00 0.00 29.99 29.53 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 2.75 -0.00 -0.20 0.41 4.22 -1.26 -0.87 114.94 119.99 2keq s ASN 126 Ca 0.55 -0.85 -0.29 0.00 -2.14 0.00 0.00 52.86 50.13 2keq s ASN 126 Cb 0.15 0.47 0.12 0.00 1.28 0.00 0.00 41.25 43.27 2keq s ASN 126 CO -0.04 -0.94 1.00 0.72 -2.04 0.00 0.00 177.10 175.80 2keq s PHE 127 N -3.97 -0.41 0.84 1.54 -0.12 -0.81 -4.85 117.98 110.21 2keq s PHE 127 Ca 0.18 0.81 -0.12 0.00 -0.05 0.00 0.00 56.93 57.75 2keq s PHE 127 Cb 0.02 0.42 0.10 0.00 -0.63 0.00 0.00 43.02 42.93 2keq s PHE 127 CO 0.01 -0.31 1.10 0.00 -0.05 0.00 0.00 175.22 175.97 2keq s ALA 128 N -0.68 1.94 0.23 1.99 0.00 -0.16 -1.78 121.76 123.30 2keq s ALA 128 Ca -0.00 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2keq s ALA 128 Cb -0.02 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2keq s ALA 128 CO -0.01 -2.01 -0.02 -0.51 0.00 0.00 0.00 175.76 173.21 2keq s LEU 129 N -5.96 2.26 0.47 0.00 1.43 0.13 -3.97 118.68 113.03 2keq s LEU 129 Ca 0.62 -1.19 0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2keq s LEU 129 Cb -0.16 -0.32 1.18 0.00 0.03 0.00 0.00 46.19 46.92 2keq s LEU 129 CO 0.55 -0.47 1.95 0.07 0.23 0.00 0.00 176.35 178.68 2keq h LYS 130 N 2.48 0.25 -0.23 1.70 2.10 -1.83 -1.35 116.57 119.69 2keq h LYS 130 Ca -0.38 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2keq h LYS 130 Cb 1.22 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2keq h LYS 130 CO 0.65 0.17 0.00 0.09 -2.00 0.00 0.00 179.45 178.35 2keq n ASN 131 N -4.44 1.31 0.00 7.07 3.02 -1.26 -4.88 115.26 116.08 2keq n ASN 131 Ca 0.13 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 2keq n ASN 131 Cb 0.56 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2keq n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2keq n GLY 132 N 0.92 0.99 3.66 7.41 0.00 -0.51 -4.87 105.19 112.78 2keq n GLY 132 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.95 2.01 -0.08 1.61 0.40 -1.25 -0.71 117.98 116.02 2keq s PHE 133 Ca 0.00 1.21 0.00 0.00 -0.60 0.00 0.00 56.93 57.54 2keq s PHE 133 Cb 0.00 -3.19 0.02 0.00 0.51 0.00 0.00 43.02 40.36 2keq s PHE 133 CO 0.00 -2.85 -0.06 0.42 0.70 0.00 0.00 175.22 173.43 2keq s ILE 134 N -2.83 0.77 0.11 0.64 1.09 -1.26 -0.69 121.20 119.03 2keq s ILE 134 Ca 0.65 -0.17 -0.03 0.00 -1.10 0.00 0.00 60.65 60.00 2keq s ILE 134 Cb -0.20 -0.81 -0.05 0.00 -1.06 0.00 0.00 42.46 40.34 2keq s ILE 134 CO 0.59 0.31 0.31 0.00 -0.10 0.00 0.00 174.94 176.05 2keq s ALA 135 N 1.46 3.88 -0.03 9.38 0.00 -0.73 -2.38 121.76 133.33 2keq s ALA 135 Ca -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 2keq s ALA 135 Cb -0.13 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.98 2keq s ALA 135 CO -0.04 0.73 0.08 0.45 0.00 0.00 0.00 175.76 176.98 2keq s SER 136 N -2.46 -0.08 0.00 0.00 0.15 -0.49 -1.93 113.70 108.90 2keq s SER 136 Ca 0.39 0.17 0.27 0.00 0.70 0.00 0.00 55.95 57.47 2keq s SER 136 Cb -0.12 0.15 0.87 0.00 -1.71 0.00 0.00 66.02 65.21 2keq s SER 136 CO 0.26 -0.04 1.65 -3.20 1.20 0.00 0.00 173.24 173.10