#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 1.50 0.35 -0.02 0.00 -1.26 -4.86 107.32 103.03 2keq s GLY 0 Ca 0.00 -1.68 -0.17 0.00 0.00 0.00 0.00 44.72 42.87 2keq s GLY 0 CO 0.00 -1.77 0.75 0.00 0.00 0.00 0.00 173.10 172.09 2keq s ALA 1 N -2.77 -0.87 0.01 3.20 0.00 -1.26 -4.75 121.76 115.31 2keq s ALA 1 Ca 0.23 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2keq s ALA 1 Cb -0.02 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2keq s ALA 1 CO 0.08 -1.00 -0.06 -0.51 0.00 0.00 0.00 175.76 174.27 2keq s LEU 2 N -3.02 3.21 0.92 0.00 2.01 -0.49 -1.87 118.68 119.43 2keq s LEU 2 Ca 0.14 -0.14 -0.11 0.00 0.01 0.00 0.00 54.13 54.03 2keq s LEU 2 Cb -0.05 -1.84 0.14 0.00 0.01 0.00 0.00 46.19 44.45 2keq s LEU 2 CO 0.10 0.28 1.09 -0.55 1.01 0.00 0.00 176.35 178.28 2keq s SER 3 N -1.46 3.20 0.24 2.29 0.15 -0.92 -0.66 113.70 116.53 2keq s SER 3 Ca 0.18 1.66 -0.05 0.00 0.70 0.00 0.00 55.95 58.44 2keq s SER 3 Cb -0.11 -2.30 0.43 0.00 -1.71 0.00 0.00 66.02 62.33 2keq s SER 3 CO 0.08 -2.84 1.74 0.22 1.20 0.00 0.00 173.24 173.64 2keq h TYR 4 N -1.69 0.52 0.00 3.44 5.03 -1.91 -1.83 116.97 120.53 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 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.44 2keq h TYR 4 CO 0.44 0.09 0.00 0.39 -1.32 0.00 0.00 178.16 177.76 2keq n GLU 5 N -4.98 0.11 -2.34 1.82 1.02 -1.26 -3.72 120.64 111.29 2keq n GLU 5 Ca 0.14 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.41 2keq n GLU 5 Cb 0.39 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 2keq n GLU 5 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2keq s THR 6 N -3.30 3.82 0.36 2.62 2.01 -0.69 -4.95 115.64 115.52 2keq s THR 6 Ca 0.01 -1.30 -0.27 0.00 0.31 0.00 0.00 61.69 60.45 2keq s THR 6 Cb 0.06 -4.85 -0.09 0.00 0.01 0.00 0.00 72.50 67.63 2keq s THR 6 CO 0.22 -1.53 1.17 -1.61 -0.69 0.00 0.00 174.62 172.18 2keq s GLU 7 N 5.40 4.27 -0.12 4.92 2.02 -1.26 -2.56 118.70 131.37 2keq s GLU 7 Ca 0.60 1.88 0.03 0.00 0.02 0.00 0.00 54.97 57.50 2keq s GLU 7 Cb 0.01 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.36 2keq s GLU 7 CO 0.08 -0.14 -0.21 0.42 0.02 0.00 0.00 175.26 175.43 2keq s ILE 8 N -1.31 2.29 0.21 -1.63 -1.09 -0.09 -1.25 121.20 118.32 2keq s ILE 8 Ca 0.52 -0.93 -0.32 0.00 -2.23 0.00 0.00 60.65 57.69 2keq s ILE 8 Cb -0.32 -1.91 -0.13 0.00 -1.58 0.00 0.00 42.46 38.52 2keq s ILE 8 CO 0.41 0.55 1.65 -0.11 -1.23 0.00 0.00 174.94 176.21 2keq n LEU 9 N 3.68 3.71 -4.10 2.97 7.94 -1.24 -2.55 117.00 127.41 2keq n LEU 9 Ca -0.19 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 55.61 2keq n LEU 9 Cb 0.53 -1.52 -0.13 0.00 0.53 0.00 0.00 43.42 42.82 2keq n LEU 9 CO 0.28 -0.00 -0.45 0.42 -1.11 0.00 0.00 177.39 176.54 2keq s THR 10 N 0.89 0.91 0.18 1.96 -4.23 -0.02 -4.01 115.64 111.33 2keq s THR 10 Ca 0.75 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2keq s THR 10 Cb -0.57 -0.83 -0.12 0.00 1.34 0.00 0.00 72.50 72.32 2keq s THR 10 CO 0.37 -0.02 1.42 0.58 -0.54 0.00 0.00 174.62 176.43 2keq h VAL 11 N 4.60 1.47 -0.44 2.29 2.07 -1.76 -1.90 116.25 122.58 2keq h VAL 11 Ca -0.36 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 64.63 2keq h VAL 11 Cb 1.18 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 2keq h VAL 11 CO 0.45 0.72 0.07 -0.33 0.02 0.00 0.00 177.57 178.50 2keq h GLU 12 N 0.12 0.68 0.00 1.57 5.08 -1.96 -3.43 114.58 116.64 2keq h GLU 12 Ca -0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2keq h GLU 12 Cb 1.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2keq h GLU 12 CO 0.12 0.65 0.00 0.66 -1.00 0.00 0.00 179.01 179.44 2keq n TYR 13 N -4.28 -0.04 0.00 4.33 4.01 -1.24 -5.12 117.16 114.82 2keq n TYR 13 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2keq n TYR 13 Cb 0.23 0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.45 0.61 3.55 2.72 0.00 -0.72 -4.98 105.19 107.83 2keq n GLY 14 Ca 0.00 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 3.25 0.05 0.99 1.43 -1.26 -0.84 118.68 122.30 2keq s LEU 15 Ca 0.00 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 2keq s LEU 15 Cb 0.00 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2keq s LEU 15 CO 0.00 -2.37 -0.17 -0.76 0.23 0.00 0.00 176.35 173.27 2keq s LEU 16 N 8.78 2.18 0.14 1.79 2.01 -1.06 -4.88 118.68 127.64 2keq s LEU 16 Ca 0.63 -0.50 -0.31 0.00 0.01 0.00 0.00 54.13 53.96 2keq s LEU 16 Cb -0.10 -0.78 -0.10 0.00 0.01 0.00 0.00 46.19 45.23 2keq s LEU 16 CO 0.13 0.09 1.61 -2.16 1.01 0.00 0.00 176.35 177.02 2keq s PRO 17 N -1.22 4.20 0.34 1.29 0.04 -1.26 -0.92 135.00 137.48 2keq s PRO 17 Ca 0.04 2.37 0.04 0.00 0.04 0.00 0.00 61.00 63.50 2keq s PRO 17 Cb -0.08 -3.30 0.67 0.00 0.04 0.00 0.00 34.50 31.83 2keq s PRO 17 CO 0.02 -0.66 1.92 0.97 0.04 0.00 0.00 177.00 179.29 2keq h ILE 18 N 4.26 1.00 -0.19 0.56 2.10 -1.58 -2.62 117.51 121.06 2keq h ILE 18 Ca -0.43 -0.29 -0.07 0.00 1.08 0.00 0.00 64.86 65.15 2keq h ILE 18 Cb 1.20 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 2keq h ILE 18 CO 0.92 0.16 -0.18 1.23 -1.08 0.00 0.00 178.15 179.20 2keq h GLY 19 N 0.86 0.34 1.43 8.18 0.00 -1.79 -0.81 103.07 111.28 2keq h GLY 19 Ca 0.37 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 47.28 2keq h GLY 19 CO -0.14 0.22 -0.66 1.70 0.00 0.00 0.00 176.54 177.65 2keq h LYS 20 N 0.29 0.57 -0.52 4.80 3.64 -1.78 -0.67 116.57 122.91 2keq h LYS 20 Ca 0.05 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 2keq h LYS 20 Cb 0.49 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2keq h LYS 20 CO 0.03 1.04 -0.10 0.82 -2.27 0.00 0.00 179.45 178.97 2keq h ILE 21 N 0.41 1.27 0.08 2.00 2.04 -1.24 -2.10 117.51 119.97 2keq h ILE 21 Ca -0.02 -1.23 -0.23 0.00 1.00 0.00 0.00 64.86 64.38 2keq h ILE 21 Cb 1.24 0.97 0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2keq h ILE 21 CO 0.12 0.43 -0.96 0.58 0.00 0.00 0.00 178.15 178.33 2keq h VAL 22 N 0.86 1.37 0.00 1.67 2.07 -1.13 0.38 116.25 121.46 2keq h VAL 22 Ca 0.14 -2.35 -0.03 0.00 0.82 0.00 0.00 66.70 65.28 2keq h VAL 22 Cb 0.64 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2keq h VAL 22 CO 0.04 0.70 -0.15 1.05 0.02 0.00 0.00 177.57 179.23 2keq h GLU 23 N 0.05 0.00 -0.08 1.57 4.11 -1.14 -3.11 114.58 115.98 2keq h GLU 23 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2keq h GLU 23 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2keq h GLU 23 CO 0.18 0.15 0.00 1.63 0.07 0.00 0.00 179.01 181.04 2keq n LYS 24 N -3.20 1.07 -3.95 1.06 4.76 -0.79 -5.03 118.16 112.08 2keq n LYS 24 Ca 0.02 -1.38 -0.31 0.00 -2.87 0.00 0.00 58.31 53.77 2keq n LYS 24 Cb 0.48 -1.25 -0.01 0.00 -1.84 0.00 0.00 35.03 32.42 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 0.68 -1.95 -2.41 1.97 3.00 -0.21 -4.89 116.66 112.84 2keq n ARG 25 Ca 0.08 0.33 -0.43 0.00 -0.01 0.00 0.00 57.85 57.82 2keq n ARG 25 Cb 0.33 -3.98 -0.02 0.00 0.00 0.00 0.00 32.46 28.79 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 -3.82 4.25 -1.23 0.55 1.01 -0.05 -4.94 121.20 116.97 2keq s ILE 26 Ca 0.21 1.50 -0.21 0.00 0.00 0.00 0.00 60.65 62.15 2keq s ILE 26 Cb -0.09 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2keq s ILE 26 CO 0.91 -0.16 1.84 -1.61 0.00 0.00 0.00 174.94 175.92 2keq s GLU 27 N 3.58 3.15 0.51 2.79 2.02 -1.26 -4.92 118.70 124.56 2keq s GLU 27 Ca 0.55 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 54.05 2keq s GLU 27 Cb -0.22 -5.37 -0.01 0.00 0.10 0.00 0.00 34.13 28.64 2keq s GLU 27 CO 0.16 -3.21 0.02 0.00 0.02 0.00 0.00 175.26 172.25 2keq s THR 29 N -2.87 2.37 0.38 0.00 2.01 -1.26 -0.90 115.64 115.36 2keq s THR 29 Ca 0.07 -1.67 0.04 0.00 0.31 0.00 0.00 61.69 60.43 2keq s THR 29 Cb 0.01 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2keq s THR 29 CO 0.04 0.12 0.12 0.68 -0.69 0.00 0.00 174.62 174.88 2keq s VAL 30 N -1.05 0.68 0.02 3.82 -7.23 0.10 -2.25 120.40 114.49 2keq s VAL 30 Ca 0.15 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2keq s VAL 30 Cb -0.10 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2keq s VAL 30 CO 0.06 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.30 2keq s TYR 31 N -3.28 2.18 -0.05 2.82 1.51 -1.26 -1.67 117.35 117.61 2keq s TYR 31 Ca 0.28 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.64 2keq s TYR 31 Cb 0.04 -1.35 0.10 0.00 -0.11 0.00 0.00 41.96 40.64 2keq s TYR 31 CO 0.15 0.05 0.84 0.45 -1.11 0.00 0.00 175.55 175.93 2keq s SER 32 N -0.95 -0.46 0.26 2.29 0.15 -0.74 -0.86 113.70 113.39 2keq s SER 32 Ca 0.10 0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 2keq s SER 32 Cb -0.10 0.42 -0.09 0.00 -1.71 0.00 0.00 66.02 64.55 2keq s SER 32 CO 0.01 -0.56 0.76 0.68 1.20 0.00 0.00 173.24 175.32 2keq s VAL 33 N -2.04 4.54 0.90 4.45 -7.23 -1.26 -0.52 120.40 119.24 2keq s VAL 33 Ca -0.02 1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 61.34 2keq s VAL 33 Cb -0.01 -3.83 0.19 0.00 0.56 0.00 0.00 36.38 33.30 2keq s VAL 33 CO -0.01 0.12 1.24 -0.62 -0.31 0.00 0.00 175.10 175.52 2keq s ASP 34 N -1.76 3.34 0.66 4.85 2.15 -0.42 -4.89 116.67 120.60 2keq s ASP 34 Ca 0.46 -0.01 0.44 0.00 0.43 0.00 0.00 52.55 53.87 2keq s ASP 34 Cb -0.16 -0.07 2.36 0.00 -0.30 0.00 0.00 42.92 44.75 2keq s ASP 34 CO 0.20 -2.56 2.35 0.78 -0.17 0.00 0.00 175.17 175.78 2keq h ASN 35 N -1.36 0.00 0.02 -0.34 4.21 -1.99 -1.50 115.58 114.62 2keq h ASN 35 Ca -0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.10 2keq h ASN 35 Cb 1.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2keq h ASN 35 CO 0.35 0.00 -0.04 0.59 -1.29 0.00 0.00 177.43 177.05 2keq n ASN 36 N -3.11 1.54 -0.47 5.81 3.02 -1.26 -4.96 115.26 115.83 2keq n ASN 36 Ca -0.03 -1.45 -0.03 0.00 -0.03 0.00 0.00 54.58 53.04 2keq n ASN 36 Cb 0.08 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.21 0.36 3.31 7.41 0.00 -0.56 -5.06 105.19 111.87 2keq n GLY 37 Ca 0.18 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.91 4.20 -0.20 1.61 0.01 -1.26 -4.87 114.94 111.52 2keq s ASN 38 Ca 0.02 -0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 51.49 2keq s ASN 38 Cb -0.01 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 2keq s ASN 38 CO 0.02 0.01 1.89 -0.63 -1.51 0.00 0.00 177.10 176.88 2keq s ILE 39 N 1.29 3.34 0.52 0.60 1.01 -1.26 -1.30 121.20 125.40 2keq s ILE 39 Ca 0.04 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.08 2keq s ILE 39 Cb -0.14 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.95 2keq s ILE 39 CO -0.03 -0.19 0.13 -0.72 0.00 0.00 0.00 174.94 174.14 2keq s TYR 40 N 6.38 1.80 0.02 3.97 1.13 0.32 -4.94 117.35 126.04 2keq s TYR 40 Ca 0.85 -0.91 0.05 0.00 -1.41 0.00 0.00 57.07 55.65 2keq s TYR 40 Cb -0.30 -1.71 -0.02 0.00 -1.10 0.00 0.00 41.96 38.83 2keq s TYR 40 CO 0.34 0.01 -0.16 0.95 -2.51 0.00 0.00 175.55 174.18 2keq s THR 41 N -2.84 1.28 -0.02 -3.49 -4.23 -1.26 -1.80 115.64 103.29 2keq s THR 41 Ca 0.15 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 2keq s THR 41 Cb 0.00 -1.11 0.01 0.00 1.34 0.00 0.00 72.50 72.73 2keq s THR 41 CO 0.09 0.18 0.14 0.00 -0.54 0.00 0.00 174.62 174.50 2keq s GLN 42 N -0.85 0.40 0.51 3.99 -2.07 -0.67 -4.95 119.66 116.02 2keq s GLN 42 Ca 0.05 -0.22 -0.20 0.00 -1.82 0.00 0.00 55.36 53.17 2keq s GLN 42 Cb -0.07 0.17 -0.07 0.00 -1.09 0.00 0.00 33.01 31.94 2keq s GLN 42 CO 0.01 -0.09 1.08 -1.25 -1.32 0.00 0.00 175.29 173.72 2keq s PRO 43 N -0.96 3.60 0.55 9.60 0.04 -1.26 -0.72 135.00 145.85 2keq s PRO 43 Ca -0.10 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.20 2keq s PRO 43 Cb -0.06 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2keq s PRO 43 CO 0.01 -0.62 1.30 0.54 0.04 0.00 0.00 177.00 178.27 2keq s VAL 44 N -1.89 2.29 -0.11 -0.36 0.11 -0.08 -4.86 120.40 115.49 2keq s VAL 44 Ca 0.70 0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.93 2keq s VAL 44 Cb -0.20 -3.10 -0.06 0.00 -1.53 0.00 0.00 36.38 31.49 2keq s VAL 44 CO 0.23 -0.01 -0.12 0.00 -3.33 0.00 0.00 175.10 171.87 2keq n ALA 45 N -1.14 1.99 -2.46 1.54 0.00 -0.01 -4.89 120.51 115.54 2keq n ALA 45 Ca 0.11 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 2keq n ALA 45 Cb 0.46 0.30 -0.07 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.22 1.75 -0.06 0.00 1.11 -0.91 -4.96 119.66 114.37 2keq s GLN 46 Ca -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 55.36 53.30 2keq s GLN 46 Cb 0.05 0.36 0.03 0.00 -1.01 0.00 0.00 33.01 32.43 2keq s GLN 46 CO 0.23 -0.67 0.03 -1.58 0.01 0.00 0.00 175.29 173.31 2keq s TRP 47 N -3.40 0.39 -0.04 0.91 0.51 -1.26 -0.57 118.94 115.48 2keq s TRP 47 Ca 0.38 0.03 0.07 0.00 -2.12 0.00 0.00 56.10 54.45 2keq s TRP 47 Cb 0.02 -0.64 -0.02 0.00 -0.81 0.00 0.00 33.47 32.02 2keq s TRP 47 CO 0.24 -0.26 -0.23 -1.01 -0.51 0.00 0.00 176.95 175.18 2keq s HIS 48 N 2.01 2.43 -0.15 -1.98 3.76 -0.46 -4.93 115.29 115.98 2keq s HIS 48 Ca 0.04 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 2keq s HIS 48 Cb -0.12 -1.55 0.04 0.00 1.11 0.00 0.00 32.58 32.05 2keq s HIS 48 CO -0.04 -0.04 -0.02 0.34 -0.85 0.00 0.00 174.74 174.12 2keq s ASP 49 N -0.51 2.50 0.10 1.40 2.15 -1.26 -1.32 116.67 119.73 2keq s ASP 49 Ca 0.07 -0.53 0.02 0.00 0.43 0.00 0.00 52.55 52.54 2keq s ASP 49 Cb -0.11 -0.73 -0.23 0.00 -0.30 0.00 0.00 42.92 41.54 2keq s ASP 49 CO 0.00 -0.21 1.23 0.03 -0.17 0.00 0.00 175.17 176.06 2keq h ARG 50 N 8.20 0.12 0.00 4.34 2.47 -1.83 -3.49 114.38 124.19 2keq h ARG 50 Ca -0.22 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2keq h ARG 50 Cb 1.12 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2keq h ARG 50 CO 0.36 1.09 0.00 0.41 0.56 0.00 0.00 179.97 182.39 2keq n GLY 51 N 1.41 2.62 3.14 0.04 0.00 -1.24 -4.83 105.19 106.33 2keq n GLY 51 Ca -0.04 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 0.26 0.23 1.61 2.02 -1.26 -3.78 118.70 117.77 2keq s GLU 52 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.23 2keq s GLU 52 Cb 0.00 0.11 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 2keq s GLU 52 CO 0.00 -0.47 0.06 -0.65 0.02 0.00 0.00 175.26 174.22 2keq s GLN 53 N 2.88 1.31 -0.65 1.61 -0.21 -1.13 -4.91 119.66 118.56 2keq s GLN 53 Ca 0.23 -1.69 -0.26 0.00 0.02 0.00 0.00 55.36 53.66 2keq s GLN 53 Cb -0.04 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.66 2keq s GLN 53 CO -0.23 -0.24 2.02 -1.83 -2.12 0.00 0.00 175.29 172.89 2keq s GLU 54 N -3.99 2.45 -0.03 2.91 -1.05 -1.26 -2.89 118.70 114.83 2keq s GLU 54 Ca 0.33 0.60 -0.14 0.00 -0.15 0.00 0.00 54.97 55.61 2keq s GLU 54 Cb 0.07 -4.57 -0.05 0.00 -0.44 0.00 0.00 34.13 29.14 2keq s GLU 54 CO 0.10 -3.06 0.38 0.08 0.95 0.00 0.00 175.26 173.72 2keq s VAL 55 N 10.21 5.10 0.08 1.83 1.01 -0.11 -3.55 120.40 134.98 2keq s VAL 55 Ca 0.75 0.77 0.10 0.00 0.00 0.00 0.00 61.98 63.60 2keq s VAL 55 Cb -0.12 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2keq s VAL 55 CO 0.17 0.56 -0.25 -0.36 0.00 0.00 0.00 175.10 175.21 2keq s PHE 56 N -0.88 2.35 -0.15 5.22 0.40 -0.78 -1.91 117.98 122.23 2keq s PHE 56 Ca 0.23 -0.38 -0.27 0.00 -0.60 0.00 0.00 56.93 55.91 2keq s PHE 56 Cb -0.16 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 2keq s PHE 56 CO 0.12 0.24 0.92 -2.00 0.70 0.00 0.00 175.22 175.19 2keq s GLU 57 N -1.65 4.34 -0.36 0.44 2.12 -0.01 -3.24 118.70 120.34 2keq s GLU 57 Ca 0.13 1.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.62 2keq s GLU 57 Cb -0.10 -3.57 0.08 0.00 0.26 0.00 0.00 34.13 30.80 2keq s GLU 57 CO 0.04 -0.35 0.12 0.71 -0.54 0.00 0.00 175.26 175.24 2keq s TYR 58 N 2.20 3.42 -0.25 5.30 2.02 -0.15 -2.60 117.35 127.29 2keq s TYR 58 Ca 0.43 -2.04 -0.14 0.00 -0.37 0.00 0.00 57.07 54.95 2keq s TYR 58 Cb -0.17 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.66 2keq s TYR 58 CO 0.14 -0.87 0.34 0.00 -1.57 0.00 0.00 175.55 173.58 2keq s LEU 60 N 1.70 3.45 0.50 0.00 1.02 -0.19 -0.70 118.68 124.45 2keq s LEU 60 Ca 0.15 1.54 0.33 0.00 0.02 0.00 0.00 54.13 56.16 2keq s LEU 60 Cb -0.15 -4.50 1.47 0.00 0.02 0.00 0.00 46.19 43.04 2keq s LEU 60 CO 0.09 -0.78 1.98 1.05 0.02 0.00 0.00 176.35 178.70 2keq h GLU 61 N 0.35 0.00 0.00 1.70 4.11 -1.89 -2.14 114.58 116.71 2keq h GLU 61 Ca -0.46 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.86 2keq h GLU 61 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2keq h GLU 61 CO 0.61 0.00 -0.54 0.22 0.07 0.00 0.00 179.01 179.37 2keq h ASP 62 N 0.00 0.00 0.00 3.06 3.58 -1.94 -3.48 116.42 117.65 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 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2keq h ASP 62 CO 0.00 0.54 0.00 0.61 -2.88 0.00 0.00 179.24 177.51 2keq n GLY 63 N 0.94 1.39 3.74 -0.78 0.00 -0.80 -5.13 105.19 104.55 2keq n GLY 63 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.48 4.88 -0.04 1.61 0.01 -1.26 -4.80 113.70 112.63 2keq s SER 64 Ca 0.00 2.72 0.04 0.00 1.31 0.00 0.00 55.95 60.01 2keq s SER 64 Cb 0.00 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2keq s SER 64 CO 0.00 -1.83 -0.15 -0.76 0.41 0.00 0.00 173.24 170.91 2keq s LEU 65 N -3.98 1.88 0.01 2.44 1.43 -1.26 -1.02 118.68 118.18 2keq s LEU 65 Ca 0.78 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 2keq s LEU 65 Cb -0.40 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 2keq s LEU 65 CO 0.44 0.13 -0.06 -0.63 0.23 0.00 0.00 176.35 176.46 2keq s ILE 66 N 0.07 0.48 -0.19 -0.59 1.01 -0.63 -4.97 121.20 116.38 2keq s ILE 66 Ca -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 2keq s ILE 66 Cb -0.10 -0.45 0.06 0.00 0.01 0.00 0.00 42.46 41.97 2keq s ILE 66 CO 0.02 -0.02 0.03 -0.13 0.00 0.00 0.00 174.94 174.83 2keq s ARG 67 N -0.55 0.72 0.20 2.79 0.52 -1.26 -0.98 118.95 120.38 2keq s ARG 67 Ca -0.01 -0.42 -0.12 0.00 -0.52 0.00 0.00 55.73 54.66 2keq s ARG 67 Cb -0.04 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.37 2keq s ARG 67 CO -0.00 -0.61 0.40 0.00 0.02 0.00 0.00 175.30 175.11 2keq s ALA 68 N 1.84 -0.29 0.54 2.13 0.00 -1.20 -2.18 121.76 122.60 2keq s ALA 68 Ca -0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 2keq s ALA 68 Cb -0.17 0.93 -0.06 0.00 0.00 0.00 0.00 23.12 23.82 2keq s ALA 68 CO -0.08 -0.74 1.12 0.95 0.00 0.00 0.00 175.76 177.01 2keq s THR 69 N -3.96 3.22 0.60 0.00 -4.23 -0.78 -1.87 115.64 108.61 2keq s THR 69 Ca 0.17 0.76 0.41 0.00 -1.18 0.00 0.00 61.69 61.85 2keq s THR 69 Cb 0.01 -3.30 0.42 0.00 1.34 0.00 0.00 72.50 70.97 2keq s THR 69 CO 0.02 -0.16 2.31 0.07 -0.54 0.00 0.00 174.62 176.32 2keq h LYS 70 N 1.22 0.00 0.00 3.99 2.10 -1.92 -2.10 116.57 119.86 2keq h LYS 70 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2keq h LYS 70 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2keq h LYS 70 CO 0.57 0.01 -0.47 -0.44 -2.00 0.00 0.00 179.45 177.12 2keq h ASP 71 N 0.00 0.00 -3.53 7.07 3.32 -1.89 -3.04 116.42 118.35 2keq h ASP 71 Ca -0.00 -0.11 -0.52 0.00 0.02 0.00 0.00 57.03 56.42 2keq h ASP 71 Cb 0.06 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.62 2keq h ASP 71 CO 0.00 0.05 0.53 -2.28 -1.72 0.00 0.00 179.24 175.83 2keq s HIS 72 N -3.18 3.47 0.33 4.55 2.46 -0.79 -4.38 115.29 117.74 2keq s HIS 72 Ca 0.06 1.48 -0.07 0.00 0.47 0.00 0.00 55.06 57.00 2keq s HIS 72 Cb 0.12 -3.39 -0.06 0.00 -0.13 0.00 0.00 32.58 29.12 2keq s HIS 72 CO 0.70 -1.03 0.63 0.15 -2.47 0.00 0.00 174.74 172.72 2keq s LYS 73 N -0.38 3.70 0.01 2.88 1.02 -1.01 -2.66 119.74 123.31 2keq s LYS 73 Ca 0.51 0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.72 2keq s LYS 73 Cb -0.32 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2keq s LYS 73 CO 0.37 0.13 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.82 2keq s PHE 74 N -2.17 0.42 -0.56 3.18 0.40 -0.43 -1.13 117.98 117.70 2keq s PHE 74 Ca 0.47 -0.26 -0.27 0.00 -0.60 0.00 0.00 56.93 56.27 2keq s PHE 74 Cb -0.11 -0.27 0.00 0.00 0.51 0.00 0.00 43.02 43.16 2keq s PHE 74 CO 0.30 -0.05 1.57 1.41 0.70 0.00 0.00 175.22 179.14 2keq s MET 75 N -0.72 3.12 0.98 0.44 -2.45 -0.77 -3.23 119.30 116.67 2keq s MET 75 Ca -0.04 0.57 -0.12 0.00 -1.25 0.00 0.00 55.69 54.85 2keq s MET 75 Cb -0.05 -4.21 0.18 0.00 1.25 0.00 0.00 34.83 32.00 2keq s MET 75 CO -0.00 -2.15 1.08 0.95 1.05 0.00 0.00 175.02 175.95 2keq s THR 76 N 6.93 2.30 0.57 10.11 -4.23 -0.74 -1.26 115.64 129.33 2keq s THR 76 Ca 0.58 0.10 0.27 0.00 -1.18 0.00 0.00 61.69 61.46 2keq s THR 76 Cb -0.12 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.58 2keq s THR 76 CO 0.24 -0.13 2.09 -0.37 -0.54 0.00 0.00 174.62 175.92 2keq h VAL 77 N -1.88 0.57 0.00 2.29 -1.51 -1.76 -0.38 116.25 113.58 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 1.31 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2keq h VAL 77 CO 0.54 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.35 2keq n ASP 78 N -3.98 0.37 0.00 4.19 8.00 -1.26 -4.92 116.55 118.95 2keq n ASP 78 Ca 0.02 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2keq n ASP 78 Cb 0.34 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 1.36 0.73 3.75 0.44 0.00 -0.15 -5.08 105.19 106.24 2keq n GLY 79 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.65 2.01 -0.59 1.61 -1.52 -1.26 -4.78 119.66 114.49 2keq s GLN 80 Ca 0.00 1.10 0.04 0.00 -1.95 0.00 0.00 55.36 54.55 2keq s GLN 80 Cb 0.00 -1.87 0.17 0.00 -0.22 0.00 0.00 33.01 31.08 2keq s GLN 80 CO 0.00 -1.80 0.42 0.00 -0.25 0.00 0.00 175.29 173.66 2keq s MET 81 N -4.91 1.85 0.09 2.91 0.23 -1.26 -1.80 119.30 116.42 2keq s MET 81 Ca 0.62 -2.83 0.04 0.00 -1.03 0.00 0.00 55.69 52.49 2keq s MET 81 Cb -0.17 -2.67 -0.04 0.00 -1.53 0.00 0.00 34.83 30.42 2keq s MET 81 CO 0.56 -1.31 0.03 -0.51 -2.03 0.00 0.00 175.02 171.76 2keq s LEU 82 N -0.81 3.59 0.40 0.18 1.43 -1.20 -4.73 118.68 117.55 2keq s LEU 82 Ca 0.27 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 2keq s LEU 82 Cb -0.03 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.79 2keq s LEU 82 CO -0.16 0.17 1.35 -2.16 0.23 0.00 0.00 176.35 175.77 2keq s PRO 83 N -2.36 3.98 0.62 1.29 0.04 -1.26 -1.32 135.00 135.99 2keq s PRO 83 Ca 0.27 2.26 0.35 0.00 0.04 0.00 0.00 61.00 63.92 2keq s PRO 83 Cb -0.12 -2.80 2.04 0.00 0.04 0.00 0.00 34.50 33.66 2keq s PRO 83 CO 0.20 -0.52 2.29 0.97 0.04 0.00 0.00 177.00 179.98 2keq h ILE 84 N 2.56 0.33 -0.10 0.56 2.10 -1.50 -0.19 117.51 121.26 2keq h ILE 84 Ca -0.50 -0.03 0.03 0.00 1.08 0.00 0.00 64.86 65.44 2keq h ILE 84 Cb 1.25 1.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2keq h ILE 84 CO 0.63 0.01 0.09 -0.78 -1.08 0.00 0.00 178.15 177.01 2keq h ASP 85 N 0.00 0.00 0.19 2.19 3.58 -1.85 -2.01 116.42 118.52 2keq h ASP 85 Ca -0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 2keq h ASP 85 Cb 0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2keq h ASP 85 CO 0.00 0.00 -1.92 -0.08 -2.88 0.00 0.00 179.24 174.36 2keq h GLU 86 N 0.00 0.25 -0.78 0.28 4.81 -1.35 -3.38 114.58 114.41 2keq h GLU 86 Ca 0.05 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 2keq h GLU 86 Cb 0.23 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 2keq h GLU 86 CO -0.00 1.14 0.43 0.82 -0.73 0.00 0.00 179.01 180.67 2keq h ILE 87 N 0.07 1.23 -0.63 2.32 2.04 -1.16 -0.85 117.51 120.52 2keq h ILE 87 Ca -0.39 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2keq h ILE 87 Cb 2.04 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2keq h ILE 87 CO 0.10 0.25 0.35 0.15 0.00 0.00 0.00 178.15 179.00 2keq h PHE 88 N 1.09 0.85 0.15 1.37 3.57 -1.58 -1.20 116.94 121.19 2keq h PHE 88 Ca 0.28 -0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.51 2keq h PHE 88 Cb 0.02 -0.27 0.03 0.00 2.79 0.00 0.00 35.95 38.51 2keq h PHE 88 CO 0.01 0.59 -1.10 0.93 -2.23 0.00 0.00 178.31 176.50 2keq h GLU 89 N 0.88 0.48 0.00 1.11 5.08 -1.48 -3.27 114.58 117.37 2keq h GLU 89 Ca 0.22 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2keq h GLU 89 Cb 0.02 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2keq h GLU 89 CO -0.04 1.33 0.00 0.54 -1.00 0.00 0.00 179.01 179.84 2keq n ARG 90 N -3.93 0.17 -2.28 2.33 5.12 -0.42 -4.92 116.66 112.73 2keq n ARG 90 Ca -0.14 0.28 -0.16 0.00 -1.93 0.00 0.00 57.85 55.90 2keq n ARG 90 Cb 0.93 -1.75 -0.02 0.00 -1.16 0.00 0.00 32.46 30.46 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 -2.06 -1.88 -2.50 5.56 1.02 -0.46 -4.96 120.64 115.37 2keq n GLU 91 Ca 0.04 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.58 2keq n GLU 91 Cb 0.30 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.28 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 -5.57 4.34 0.65 -4.62 1.43 -1.16 -4.82 118.68 108.93 2keq s LEU 92 Ca 0.00 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 54.82 2keq s LEU 92 Cb 0.00 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 2keq s LEU 92 CO 0.00 -0.45 1.13 1.51 0.23 0.00 0.00 176.35 178.76 2keq s ASP 93 N 1.16 5.07 0.17 2.29 1.47 -1.26 -4.69 116.67 120.88 2keq s ASP 93 Ca 0.56 2.07 -0.03 0.00 1.18 0.00 0.00 52.55 56.34 2keq s ASP 93 Cb -0.26 -2.56 -0.05 0.00 -0.34 0.00 0.00 42.92 39.71 2keq s ASP 93 CO 0.27 -1.66 0.38 -0.76 0.68 0.00 0.00 175.17 174.08 2keq s LEU 94 N -4.75 4.24 0.26 2.11 1.43 -1.25 -2.82 118.68 117.90 2keq s LEU 94 Ca 0.69 0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 2keq s LEU 94 Cb -0.22 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 2keq s LEU 94 CO 0.40 0.00 1.17 -0.32 0.23 0.00 0.00 176.35 177.83 2keq s MET 95 N -2.99 4.54 0.31 1.70 -2.45 -0.39 -4.56 119.30 115.46 2keq s MET 95 Ca 0.40 1.91 0.09 0.00 -1.25 0.00 0.00 55.69 56.84 2keq s MET 95 Cb -0.12 -3.18 -0.05 0.00 1.25 0.00 0.00 34.83 32.74 2keq s MET 95 CO 0.27 0.04 0.02 -0.98 1.05 0.00 0.00 175.02 175.42 2keq s ARG 96 N -1.12 2.21 -0.05 4.11 3.03 -1.26 -3.12 118.95 122.75 2keq s ARG 96 Ca 0.48 -1.56 0.12 0.00 2.03 0.00 0.00 55.73 56.79 2keq s ARG 96 Cb -0.34 -2.07 -0.18 0.00 -1.03 0.00 0.00 34.95 31.33 2keq s ARG 96 CO 0.42 0.24 0.20 1.33 -1.13 0.00 0.00 175.30 176.36 2keq n VAL 97 N -0.96 0.24 -0.17 4.99 0.24 -0.11 -4.68 118.33 117.89 2keq n VAL 97 Ca -0.05 -0.35 0.11 0.00 -2.04 0.00 0.00 64.34 62.02 2keq n VAL 97 Cb 0.61 -0.06 0.28 0.00 -1.47 0.00 0.00 33.84 33.19 2keq n VAL 97 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2keq n ASP 98 N -2.08 3.71 -1.13 -1.34 2.03 -1.26 -4.94 116.55 111.54 2keq n ASP 98 Ca -0.07 -1.99 -0.13 0.00 0.52 0.00 0.00 54.79 53.11 2keq n ASP 98 Cb 0.49 -0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 1.49 -4.50 -4.49 1.67 5.03 -1.26 -5.01 115.26 108.18 2keq n ASN 99 Ca 0.22 0.26 -0.33 0.00 0.87 0.00 0.00 54.58 55.59 2keq n ASN 99 Cb 0.60 -3.29 0.13 0.00 -1.02 0.00 0.00 39.78 36.20 2keq n ASN 99 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2keq n LEU 100 N -1.60 0.89 -4.76 3.41 4.77 -1.26 -4.99 117.00 113.46 2keq n LEU 100 Ca -0.14 0.39 -0.38 0.00 -0.03 0.00 0.00 56.01 55.85 2keq n LEU 100 Cb 0.48 -1.28 0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2keq n LEU 100 CO 0.20 -3.17 0.91 -2.16 -1.33 0.00 0.00 177.39 171.84 2keq s PRO 101 N -3.80 3.56 -0.02 3.23 0.04 -1.26 -4.96 135.00 131.79 2keq s PRO 101 Ca 0.61 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.36 2keq s PRO 101 Cb -0.23 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 2keq s PRO 101 CO 0.64 -0.78 1.61 -0.80 0.04 0.00 0.00 177.00 177.71 2keq s ASN 102 N -1.10 6.68 -0.07 6.66 0.02 -1.26 -5.00 114.94 120.88 2keq s ASN 102 Ca 0.65 2.26 -0.06 0.00 -1.02 0.00 0.00 52.86 54.70 2keq s ASN 102 Cb -0.35 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.40 2keq s ASN 102 CO 0.42 -0.89 0.18 0.27 0.02 0.00 0.00 177.10 177.10 2keq s ILE 103 N 3.53 -0.01 0.52 0.60 -4.36 -1.26 -5.02 121.20 115.20 2keq s ILE 103 Ca 0.72 0.04 0.09 0.00 -0.26 0.00 0.00 60.65 61.24 2keq s ILE 103 Cb -0.34 -0.26 0.06 0.00 1.25 0.00 0.00 42.46 43.16 2keq s ILE 103 CO 0.29 0.02 0.69 -1.59 0.24 0.00 0.00 174.94 174.59 2keq s LYS 104 N 0.36 2.48 -0.45 0.37 0.00 -1.26 -3.80 119.74 117.45 2keq s LYS 104 Ca -0.02 -1.52 -0.27 0.00 0.00 0.00 0.00 55.97 54.15 2keq s LYS 104 Cb -0.04 -2.65 -0.03 0.00 0.00 0.00 0.00 37.83 35.11 2keq s LYS 104 CO -0.02 -0.64 1.95 0.42 0.00 0.00 0.00 175.35 177.07 2keq s ILE 105 N -2.56 3.32 0.13 3.79 1.09 -1.26 -3.88 121.20 121.83 2keq s ILE 105 Ca 0.58 0.27 -0.12 0.00 -1.10 0.00 0.00 60.65 60.28 2keq s ILE 105 Cb -0.07 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 2keq s ILE 105 CO 0.36 -0.49 1.49 0.00 -0.10 0.00 0.00 174.94 176.20 2keq h ALA 106 N 14.88 0.56 -2.58 9.38 0.00 -1.21 -3.46 119.26 136.83 2keq h ALA 106 Ca -0.30 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 2keq h ALA 106 Cb 1.19 -0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.67 2keq h ALA 106 CO 1.11 0.57 -0.39 0.95 0.00 0.00 0.00 179.25 181.49 2keq s THR 107 N -4.54 0.11 -0.01 0.00 -4.23 -1.13 -5.02 115.64 100.82 2keq s THR 107 Ca -0.12 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 2keq s THR 107 Cb 0.11 -0.90 -0.00 0.00 1.34 0.00 0.00 72.50 73.04 2keq s THR 107 CO 0.85 -0.49 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.77 2keq s ARG 108 N -2.55 0.68 -0.04 3.99 3.52 -1.26 -2.18 118.95 121.11 2keq s ARG 108 Ca -0.05 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.26 2keq s ARG 108 Cb -0.01 -0.65 0.03 0.00 -1.56 0.00 0.00 34.95 32.76 2keq s ARG 108 CO -0.04 0.15 0.08 0.15 -0.81 0.00 0.00 175.30 174.83 2keq s LYS 109 N -0.10 0.02 -0.02 5.12 1.02 -1.07 -5.00 119.74 119.70 2keq s LYS 109 Ca 0.02 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 2keq s LYS 109 Cb -0.04 -0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 36.99 2keq s LYS 109 CO -0.00 -0.16 1.62 -0.47 -0.92 0.00 0.00 175.35 175.41 2keq s TYR 110 N 1.09 2.19 -0.08 3.18 5.04 -1.26 -0.83 117.35 126.68 2keq s TYR 110 Ca -0.09 0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 54.75 2keq s TYR 110 Cb -0.12 -3.89 -0.29 0.00 0.35 0.00 0.00 41.96 38.01 2keq s TYR 110 CO -0.04 -3.66 0.56 -0.07 -1.34 0.00 0.00 175.55 171.00 2keq h LEU 111 N 9.63 0.54 0.00 6.97 3.38 -1.73 -3.47 115.31 130.62 2keq h LEU 111 Ca -0.40 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.64 2keq h LEU 111 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2keq h LEU 111 CO 0.94 1.80 0.00 0.61 0.09 0.00 0.00 178.44 181.89 2keq n GLY 112 N 1.90 0.58 2.79 0.83 0.00 -1.19 -5.04 105.19 105.06 2keq n GLY 112 Ca -0.27 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.92 2.05 0.23 1.61 2.20 -1.26 -0.93 119.74 121.72 2keq s LYS 113 Ca 0.00 -2.97 0.03 0.00 -0.36 0.00 0.00 55.97 52.67 2keq s LYS 113 Cb 0.00 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 2keq s LYS 113 CO 0.00 -1.29 0.37 -0.65 -0.36 0.00 0.00 175.35 173.43 2keq s GLN 114 N -0.97 3.46 -0.04 4.03 -0.21 -1.14 -4.67 119.66 120.12 2keq s GLN 114 Ca 0.25 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 2keq s GLN 114 Cb -0.06 -2.87 -0.06 0.00 1.00 0.00 0.00 33.01 31.02 2keq s GLN 114 CO -0.15 0.41 1.79 1.21 -2.12 0.00 0.00 175.29 176.43 2keq s ASN 115 N -3.70 6.51 0.10 5.90 3.04 -1.25 -2.84 114.94 122.70 2keq s ASN 115 Ca 0.36 2.33 0.09 0.00 0.04 0.00 0.00 52.86 55.67 2keq s ASN 115 Cb -0.10 -2.53 -0.03 0.00 -1.54 0.00 0.00 41.25 37.05 2keq s ASN 115 CO 0.30 -1.05 -0.22 0.68 -3.04 0.00 0.00 177.10 173.77 2keq s VAL 116 N 4.48 1.83 0.05 -5.21 -7.23 -1.26 -3.75 120.40 109.32 2keq s VAL 116 Ca 0.80 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2keq s VAL 116 Cb -0.36 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2keq s VAL 116 CO 0.34 0.00 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.79 2keq s TYR 117 N -1.10 0.56 -0.25 2.82 1.51 0.16 -2.18 117.35 118.87 2keq s TYR 117 Ca 0.08 -0.95 -0.09 0.00 -1.01 0.00 0.00 57.07 55.10 2keq s TYR 117 Cb -0.10 -0.39 0.11 0.00 -0.11 0.00 0.00 41.96 41.47 2keq s TYR 117 CO 0.04 -0.30 0.54 0.16 -1.11 0.00 0.00 175.55 174.88 2keq s ASP 118 N -2.71 -0.73 0.63 2.29 -4.77 -0.44 -1.40 116.67 109.54 2keq s ASP 118 Ca 0.04 1.29 -0.15 0.00 -3.30 0.00 0.00 52.55 50.44 2keq s ASP 118 Cb 0.05 1.75 -0.02 0.00 -1.09 0.00 0.00 42.92 43.60 2keq s ASP 118 CO -0.08 -0.22 1.07 0.27 0.70 0.00 0.00 175.17 176.91 2keq s ILE 119 N 2.58 3.71 0.04 2.11 -4.36 -1.26 -1.36 121.20 122.66 2keq s ILE 119 Ca -0.05 0.76 0.01 0.00 -0.26 0.00 0.00 60.65 61.11 2keq s ILE 119 Cb -0.11 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 2keq s ILE 119 CO -0.16 -0.53 0.08 -0.83 0.24 0.00 0.00 174.94 173.74 2keq s GLY 120 N -2.92 2.02 0.01 6.27 0.00 0.26 -4.85 107.32 108.11 2keq s GLY 120 Ca 0.63 -0.94 -0.22 0.00 0.00 0.00 0.00 44.72 44.20 2keq s GLY 120 CO 0.41 -0.86 0.48 -1.34 0.00 0.00 0.00 173.10 171.79 2keq s VAL 121 N -1.29 0.03 -0.21 1.40 -7.23 -1.26 -0.83 120.40 111.02 2keq s VAL 121 Ca 0.26 -0.29 0.11 0.00 -1.81 0.00 0.00 61.98 60.26 2keq s VAL 121 Cb -0.12 -0.89 -0.21 0.00 0.56 0.00 0.00 36.38 35.72 2keq s VAL 121 CO 0.18 -0.16 -0.04 -0.62 -0.31 0.00 0.00 175.10 174.15 2keq n GLU 122 N 0.76 0.78 -0.03 4.82 -0.58 -1.26 -4.65 120.64 120.48 2keq n GLU 122 Ca -0.19 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.45 2keq n GLU 122 Cb 0.58 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 2keq n GLU 122 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2keq h ARG 123 N 0.00 0.15 -2.73 3.49 2.43 -1.99 -3.48 114.38 112.25 2keq h ARG 123 Ca -0.53 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 58.58 2keq h ARG 123 Cb 2.06 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 31.52 2keq h ARG 123 CO -0.01 0.75 0.32 0.16 -1.51 0.00 0.00 179.97 179.68 2keq s ASP 124 N -6.07 -0.41 -0.90 -3.80 1.47 -1.26 -5.11 116.67 100.59 2keq s ASP 124 Ca -0.16 -0.15 0.00 0.00 1.18 0.00 0.00 52.55 53.42 2keq s ASP 124 Cb 0.02 0.55 0.33 0.00 -0.34 0.00 0.00 42.92 43.48 2keq s ASP 124 CO 0.72 -0.93 1.70 1.41 0.68 0.00 0.00 175.17 178.74 2keq n HIS 125 N -0.37 3.04 -3.59 2.11 8.25 -1.26 -4.75 115.22 118.65 2keq n HIS 125 Ca -0.11 -2.77 -0.13 0.00 -0.26 0.00 0.00 57.72 54.46 2keq n HIS 125 Cb 0.63 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 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 -1.72 -0.38 0.12 0.41 4.22 -1.26 -1.25 114.94 115.08 2keq s ASN 126 Ca 0.43 0.01 -0.25 0.00 -2.14 0.00 0.00 52.86 50.92 2keq s ASN 126 Cb 0.26 0.49 0.08 0.00 1.28 0.00 0.00 41.25 43.35 2keq s ASN 126 CO -0.19 -0.77 0.69 0.72 -2.04 0.00 0.00 177.10 175.52 2keq s PHE 127 N -2.92 -0.46 0.18 1.54 -0.12 -0.51 -4.77 117.98 110.92 2keq s PHE 127 Ca -0.03 0.25 -0.09 0.00 -0.05 0.00 0.00 56.93 57.02 2keq s PHE 127 Cb -0.00 0.56 -0.07 0.00 -0.63 0.00 0.00 43.02 42.89 2keq s PHE 127 CO -0.06 -0.79 0.48 0.00 -0.05 0.00 0.00 175.22 174.81 2keq s ALA 128 N -3.58 3.65 0.36 1.99 0.00 -0.04 -1.18 121.76 122.97 2keq s ALA 128 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.71 2keq s ALA 128 Cb -0.01 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 2keq s ALA 128 CO -0.10 0.55 0.47 -0.51 0.00 0.00 0.00 175.76 176.17 2keq s LEU 129 N -2.57 3.85 0.44 0.00 1.43 0.39 -3.70 118.68 118.52 2keq s LEU 129 Ca 0.43 -0.28 0.13 0.00 -1.03 0.00 0.00 54.13 53.37 2keq s LEU 129 Cb -0.12 -2.67 1.03 0.00 0.03 0.00 0.00 46.19 44.46 2keq s LEU 129 CO 0.21 -0.51 2.02 0.07 0.23 0.00 0.00 176.35 178.38 2keq h LYS 130 N 0.87 0.37 0.00 1.70 2.10 -1.51 -2.43 116.57 117.67 2keq h LYS 130 Ca -0.44 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2keq h LYS 130 Cb 1.26 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2keq h LYS 130 CO 0.52 0.25 0.00 0.09 -2.00 0.00 0.00 179.45 178.30 2keq n ASN 131 N -4.47 0.59 0.00 7.07 4.13 -1.26 -4.92 115.26 116.39 2keq n ASN 131 Ca 0.06 0.59 0.00 0.00 1.68 0.00 0.00 54.58 56.91 2keq n ASN 131 Cb 0.26 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 2keq n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2keq n GLY 132 N 0.79 1.97 3.35 7.41 0.00 -0.91 -5.00 105.19 112.79 2keq n GLY 132 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 1.64 -0.09 1.61 0.08 -1.26 -0.94 117.98 117.03 2keq s PHE 133 Ca 0.00 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 2keq s PHE 133 Cb 0.00 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 2keq s PHE 133 CO 0.00 0.03 -0.02 0.42 -0.10 0.00 0.00 175.22 175.55 2keq s ILE 134 N -3.33 4.11 0.12 0.64 1.09 -1.18 -0.47 121.20 122.18 2keq s ILE 134 Ca 0.28 -0.32 0.07 0.00 -1.10 0.00 0.00 60.65 59.59 2keq s ILE 134 Cb 0.05 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.69 2keq s ILE 134 CO 0.09 0.60 -0.17 0.00 -0.10 0.00 0.00 174.94 175.35 2keq s ALA 135 N -0.77 1.69 0.00 9.38 0.00 -0.32 -1.85 121.76 129.89 2keq s ALA 135 Ca 0.12 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2keq s ALA 135 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 2keq s ALA 135 CO 0.02 0.22 -0.05 0.45 0.00 0.00 0.00 175.76 176.40 2keq s SER 136 N -2.27 0.56 0.00 0.00 0.15 -0.28 -1.43 113.70 110.42 2keq s SER 136 Ca 0.09 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2keq s SER 136 Cb -0.07 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2keq s SER 136 CO 0.04 0.03 0.27 -0.46 1.20 0.00 0.00 173.24 174.32