#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 1.51 0.22 -0.02 0.00 -1.26 -4.72 107.32 103.05 2keq s GLY 0 Ca 0.00 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 42.88 2keq s GLY 0 CO 0.00 -1.19 0.85 0.00 0.00 0.00 0.00 173.10 172.76 2keq s ALA 1 N -3.70 -1.44 0.12 3.20 0.00 -1.26 -4.82 121.76 113.86 2keq s ALA 1 Ca 0.35 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.26 2keq s ALA 1 Cb 0.03 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2keq s ALA 1 CO 0.17 -1.04 0.08 -0.51 0.00 0.00 0.00 175.76 174.46 2keq s LEU 2 N -2.94 3.69 0.92 0.00 2.01 -0.60 -2.77 118.68 118.99 2keq s LEU 2 Ca 0.12 -0.13 -0.11 0.00 0.01 0.00 0.00 54.13 54.03 2keq s LEU 2 Cb -0.04 -2.35 0.15 0.00 0.01 0.00 0.00 46.19 43.96 2keq s LEU 2 CO 0.05 0.13 1.11 -0.55 1.01 0.00 0.00 176.35 178.10 2keq s SER 3 N -2.70 3.01 0.24 2.29 0.15 -0.46 -0.98 113.70 115.25 2keq s SER 3 Ca 0.29 1.97 -0.04 0.00 0.70 0.00 0.00 55.95 58.86 2keq s SER 3 Cb -0.11 -2.49 0.44 0.00 -1.71 0.00 0.00 66.02 62.15 2keq s SER 3 CO 0.21 -3.01 1.75 0.22 1.20 0.00 0.00 173.24 173.62 2keq h TYR 4 N -1.80 0.60 0.00 3.44 5.03 -1.92 -2.27 116.97 120.05 2keq h TYR 4 Ca -0.46 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 60.88 2keq h TYR 4 Cb 1.27 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.40 2keq h TYR 4 CO 0.48 0.13 -0.01 0.93 -1.32 0.00 0.00 178.16 178.37 2keq h GLU 5 N 0.53 0.00 -6.24 1.82 4.39 -1.94 -3.30 114.58 109.83 2keq h GLU 5 Ca 0.41 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.54 2keq h GLU 5 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2keq h GLU 5 CO -0.36 0.01 1.22 0.99 -1.16 0.00 0.00 179.01 179.72 2keq s THR 6 N -4.38 3.44 -0.01 1.13 2.01 -0.85 -4.89 115.64 112.08 2keq s THR 6 Ca -0.05 0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.32 2keq s THR 6 Cb 0.14 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 2keq s THR 6 CO 0.50 -0.19 0.36 -1.61 -0.69 0.00 0.00 174.62 172.99 2keq s GLU 7 N 4.99 3.82 -0.15 4.92 2.02 -1.26 -1.58 118.70 131.45 2keq s GLU 7 Ca 0.80 0.30 0.01 0.00 0.02 0.00 0.00 54.97 56.10 2keq s GLU 7 Cb -0.29 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2keq s GLU 7 CO 0.33 0.70 -0.18 0.42 0.02 0.00 0.00 175.26 176.54 2keq s ILE 8 N -1.10 2.39 0.16 -1.63 -1.09 0.08 -2.23 121.20 117.77 2keq s ILE 8 Ca 0.23 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.47 2keq s ILE 8 Cb -0.16 -1.98 -0.10 0.00 -1.58 0.00 0.00 42.46 38.64 2keq s ILE 8 CO 0.12 0.53 1.58 -0.22 -1.23 0.00 0.00 174.94 175.72 2keq s LEU 9 N 0.82 4.37 0.15 2.97 2.96 -1.25 -2.29 118.68 126.40 2keq s LEU 9 Ca -0.06 2.61 0.06 0.00 -0.22 0.00 0.00 54.13 56.52 2keq s LEU 9 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 2keq s LEU 9 CO -0.01 -0.83 -0.14 0.42 -1.32 0.00 0.00 176.35 174.46 2keq s THR 10 N 1.30 1.47 0.14 3.68 -4.23 -0.41 -4.30 115.64 113.30 2keq s THR 10 Ca 0.71 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 2keq s THR 10 Cb -0.43 -1.73 -0.19 0.00 1.34 0.00 0.00 72.50 71.49 2keq s THR 10 CO 0.31 -0.48 1.32 0.58 -0.54 0.00 0.00 174.62 175.81 2keq h VAL 11 N 3.17 1.59 -0.32 2.29 2.07 -1.70 -2.40 116.25 120.95 2keq h VAL 11 Ca -0.39 -2.99 -0.08 0.00 0.82 0.00 0.00 66.70 64.05 2keq h VAL 11 Cb 1.20 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 2keq h VAL 11 CO 0.55 0.86 -0.14 -0.33 0.02 0.00 0.00 177.57 178.53 2keq h GLU 12 N 0.04 0.56 0.00 1.57 4.39 -1.96 -3.42 114.58 115.76 2keq h GLU 12 Ca -0.04 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2keq h GLU 12 Cb 1.66 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 2keq h GLU 12 CO 0.14 0.69 -0.00 0.66 -1.16 0.00 0.00 179.01 179.33 2keq n TYR 13 N -4.18 0.00 0.00 4.33 4.01 -1.26 -5.13 117.16 114.94 2keq n TYR 13 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2keq n TYR 13 Cb 0.34 0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.51 0.20 3.61 2.72 0.00 -0.90 -4.97 105.19 107.36 2keq n GLY 14 Ca 0.00 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 3.65 0.03 0.99 1.43 -1.26 -1.29 118.68 122.23 2keq s LEU 15 Ca 0.00 1.52 -0.00 0.00 -1.03 0.00 0.00 54.13 54.62 2keq s LEU 15 Cb 0.00 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 2keq s LEU 15 CO 0.00 -1.58 -0.03 -0.76 0.23 0.00 0.00 176.35 174.21 2keq s LEU 16 N 6.44 2.28 0.13 1.79 1.43 -0.97 -4.93 118.68 124.85 2keq s LEU 16 Ca 0.80 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 53.00 2keq s LEU 16 Cb -0.25 0.10 -0.09 0.00 0.03 0.00 0.00 46.19 45.98 2keq s LEU 16 CO 0.33 -0.35 1.55 -2.16 0.23 0.00 0.00 176.35 175.95 2keq s PRO 17 N -1.89 4.23 0.37 1.29 0.04 -1.26 -0.74 135.00 137.03 2keq s PRO 17 Ca -0.12 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.27 2keq s PRO 17 Cb -0.07 -3.29 0.75 0.00 0.04 0.00 0.00 34.50 31.93 2keq s PRO 17 CO -0.02 -0.60 1.98 0.97 0.04 0.00 0.00 177.00 179.36 2keq h ILE 18 N 4.27 1.05 -0.11 0.56 2.10 -1.37 -2.64 117.51 121.38 2keq h ILE 18 Ca -0.42 -0.25 -0.05 0.00 1.08 0.00 0.00 64.86 65.21 2keq h ILE 18 Cb 1.20 0.25 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 2keq h ILE 18 CO 0.91 0.13 -0.18 1.23 -1.08 0.00 0.00 178.15 179.16 2keq h GLY 19 N 0.74 0.19 1.36 8.18 0.00 -1.80 -2.06 103.07 109.68 2keq h GLY 19 Ca 0.28 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.32 2keq h GLY 19 CO -0.08 0.11 -0.55 1.70 0.00 0.00 0.00 176.54 177.72 2keq h LYS 20 N 0.17 0.67 -0.61 4.80 3.64 -1.77 -0.20 116.57 123.26 2keq h LYS 20 Ca 0.03 -0.42 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 2keq h LYS 20 Cb 0.42 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2keq h LYS 20 CO 0.03 1.04 0.19 0.82 -2.27 0.00 0.00 179.45 179.26 2keq h ILE 21 N 0.52 1.23 0.12 2.00 2.04 -1.35 -1.37 117.51 120.69 2keq h ILE 21 Ca 0.01 -0.80 -0.32 0.00 1.00 0.00 0.00 64.86 64.76 2keq h ILE 21 Cb 1.12 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2keq h ILE 21 CO 0.11 0.31 -1.64 0.58 0.00 0.00 0.00 178.15 177.51 2keq h VAL 22 N 0.90 1.03 0.00 1.67 2.07 -1.34 0.96 116.25 121.54 2keq h VAL 22 Ca 0.20 -2.69 -0.06 0.00 0.82 0.00 0.00 66.70 64.98 2keq h VAL 22 Cb 0.26 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2keq h VAL 22 CO -0.01 0.81 -0.26 -0.33 0.02 0.00 0.00 177.57 177.79 2keq h GLU 23 N 0.07 0.00 -0.08 1.57 4.39 -1.01 -3.20 114.58 116.32 2keq h GLU 23 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2keq h GLU 23 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2keq h GLU 23 CO 0.15 0.26 0.00 1.63 -1.16 0.00 0.00 179.01 179.89 2keq n LYS 24 N -3.56 0.89 -4.06 2.33 4.76 -0.52 -5.02 118.16 112.98 2keq n LYS 24 Ca -0.01 -1.23 -0.28 0.00 -2.87 0.00 0.00 58.31 53.92 2keq n LYS 24 Cb 0.41 -1.16 -0.03 0.00 -1.84 0.00 0.00 35.03 32.40 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 0.38 -2.94 -2.20 1.97 1.74 -0.27 -4.89 116.66 110.44 2keq n ARG 25 Ca 0.06 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 57.07 2keq n ARG 25 Cb 0.25 -4.51 -0.03 0.00 -1.02 0.00 0.00 32.46 27.15 2keq n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2keq s ILE 26 N -3.88 3.84 -0.23 0.55 1.01 0.17 -5.00 121.20 117.66 2keq s ILE 26 Ca 0.15 1.08 -0.27 0.00 0.00 0.00 0.00 60.65 61.61 2keq s ILE 26 Cb -0.08 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2keq s ILE 26 CO 0.91 -0.07 0.94 -1.83 0.00 0.00 0.00 174.94 174.89 2keq s GLU 27 N 3.44 4.23 0.17 2.79 -1.05 -1.26 -4.93 118.70 122.10 2keq s GLU 27 Ca 0.65 1.16 -0.15 0.00 -0.15 0.00 0.00 54.97 56.48 2keq s GLU 27 Cb -0.29 -3.64 0.02 0.00 -0.44 0.00 0.00 34.13 29.78 2keq s GLU 27 CO 0.24 -0.57 0.43 0.00 0.95 0.00 0.00 175.26 176.32 2keq s THR 29 N -3.89 4.95 0.41 0.00 2.01 -1.26 -1.85 115.64 116.01 2keq s THR 29 Ca 0.10 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2keq s THR 29 Cb 0.01 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2keq s THR 29 CO -0.04 0.21 0.10 0.68 -0.69 0.00 0.00 174.62 174.89 2keq s VAL 30 N -1.50 0.77 0.04 3.82 -7.23 0.01 -1.91 120.40 114.40 2keq s VAL 30 Ca 0.38 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 2keq s VAL 30 Cb -0.14 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2keq s VAL 30 CO 0.19 0.00 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.43 2keq s TYR 31 N -3.18 2.13 0.24 2.82 1.51 -1.26 -1.83 117.35 117.77 2keq s TYR 31 Ca 0.24 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.70 2keq s TYR 31 Cb 0.03 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 2keq s TYR 31 CO 0.13 0.10 0.65 0.45 -1.11 0.00 0.00 175.55 175.78 2keq s SER 32 N -1.18 -0.31 -0.25 2.29 0.15 -0.80 -1.36 113.70 112.24 2keq s SER 32 Ca 0.10 -0.49 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 2keq s SER 32 Cb -0.09 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 2keq s SER 32 CO 0.02 -1.21 0.18 -0.69 1.20 0.00 0.00 173.24 172.73 2keq s VAL 33 N -3.89 5.34 1.15 4.45 1.01 -1.26 -1.03 120.40 126.18 2keq s VAL 33 Ca 0.10 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 2keq s VAL 33 Cb -0.04 -3.51 0.28 0.00 0.00 0.00 0.00 36.38 33.10 2keq s VAL 33 CO 0.02 0.32 1.20 1.51 0.00 0.00 0.00 175.10 178.15 2keq s ASP 34 N 1.20 1.40 0.55 3.32 -4.77 0.14 -4.87 116.67 113.65 2keq s ASP 34 Ca 0.08 0.39 0.36 0.00 -3.30 0.00 0.00 52.55 50.08 2keq s ASP 34 Cb -0.14 -0.47 1.78 0.00 -1.09 0.00 0.00 42.92 43.00 2keq s ASP 34 CO 0.06 -3.80 2.09 0.78 0.70 0.00 0.00 175.17 175.00 2keq h ASN 35 N -2.37 0.00 0.10 2.11 2.35 -1.96 -1.39 115.58 114.42 2keq h ASN 35 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2keq h ASN 35 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2keq h ASN 35 CO 0.30 0.00 -0.12 0.59 -1.65 0.00 0.00 177.43 176.56 2keq n ASN 36 N -2.91 1.30 -0.74 5.81 3.02 -1.26 -4.96 115.26 115.51 2keq n ASN 36 Ca -0.01 -1.23 -0.07 0.00 -0.03 0.00 0.00 54.58 53.25 2keq n ASN 36 Cb 0.16 0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 1.25 0.11 3.54 7.41 0.00 -0.52 -5.07 105.19 111.91 2keq n GLY 37 Ca 0.16 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.71 4.41 0.19 1.61 0.01 -1.26 -4.84 114.94 112.36 2keq s ASN 38 Ca 0.00 -0.09 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 2keq s ASN 38 Cb 0.00 -1.04 -0.09 0.00 0.41 0.00 0.00 41.25 40.53 2keq s ASN 38 CO 0.00 0.35 1.38 -0.63 -1.51 0.00 0.00 177.10 176.70 2keq s ILE 39 N -0.79 3.04 0.17 0.60 1.01 -1.26 -0.68 121.20 123.29 2keq s ILE 39 Ca 0.12 0.82 -0.00 0.00 0.00 0.00 0.00 60.65 61.59 2keq s ILE 39 Cb -0.11 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2keq s ILE 39 CO 0.01 0.11 0.07 -0.72 0.00 0.00 0.00 174.94 174.40 2keq s TYR 40 N 0.42 1.06 0.02 3.97 1.13 -0.20 -4.93 117.35 118.83 2keq s TYR 40 Ca 0.60 -1.22 0.08 0.00 -1.41 0.00 0.00 57.07 55.12 2keq s TYR 40 Cb -0.39 -0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 39.87 2keq s TYR 40 CO 0.37 -0.47 -0.22 0.95 -2.51 0.00 0.00 175.55 173.67 2keq s THR 41 N -3.97 2.45 -0.06 -3.49 -4.23 -1.26 -1.91 115.64 103.16 2keq s THR 41 Ca 0.29 -1.21 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 2keq s THR 41 Cb 0.07 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.98 2keq s THR 41 CO 0.06 0.41 0.37 0.00 -0.54 0.00 0.00 174.62 174.91 2keq s GLN 42 N -1.16 0.63 0.54 3.99 -2.07 -0.76 -4.97 119.66 115.85 2keq s GLN 42 Ca 0.12 0.08 -0.19 0.00 -1.82 0.00 0.00 55.36 53.56 2keq s GLN 42 Cb -0.10 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.05 2keq s GLN 42 CO 0.03 -0.15 1.07 -1.25 -1.32 0.00 0.00 175.29 173.66 2keq s PRO 43 N -0.81 3.51 0.35 9.60 0.04 -1.26 -0.81 135.00 145.62 2keq s PRO 43 Ca -0.09 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.04 2keq s PRO 43 Cb -0.04 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 2keq s PRO 43 CO 0.04 -0.67 1.43 1.55 0.04 0.00 0.00 177.00 179.38 2keq n VAL 44 N -1.41 1.89 -0.11 -0.36 3.14 -0.77 -4.55 118.33 116.16 2keq n VAL 44 Ca 0.10 -0.47 -0.14 0.00 -2.96 0.00 0.00 64.34 60.86 2keq n VAL 44 Cb 0.52 -1.82 -0.14 0.00 -1.06 0.00 0.00 33.84 31.35 2keq n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2keq n ALA 45 N 0.57 1.48 -3.76 1.55 0.00 0.29 -4.95 120.51 115.69 2keq n ALA 45 Ca 0.03 -1.19 -0.08 0.00 0.00 0.00 0.00 53.44 52.20 2keq n ALA 45 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2keq n ALA 45 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2keq s GLN 46 N -2.49 2.05 -0.05 0.00 -2.07 -1.21 -4.95 119.66 110.94 2keq s GLN 46 Ca -0.23 -1.29 0.05 0.00 -1.82 0.00 0.00 55.36 52.07 2keq s GLN 46 Cb 0.07 0.61 -0.01 0.00 -1.09 0.00 0.00 33.01 32.60 2keq s GLN 46 CO 0.69 -0.94 -0.20 -1.58 -1.32 0.00 0.00 175.29 171.94 2keq s TRP 47 N -2.95 1.93 -0.15 9.60 0.51 -1.26 -0.83 118.94 125.78 2keq s TRP 47 Ca 0.15 -0.55 0.00 0.00 -2.12 0.00 0.00 56.10 53.59 2keq s TRP 47 Cb -0.05 -1.28 0.02 0.00 -0.81 0.00 0.00 33.47 31.35 2keq s TRP 47 CO 0.10 -0.17 -0.14 -1.01 -0.51 0.00 0.00 176.95 175.22 2keq s HIS 48 N -0.06 2.20 -0.26 -1.98 3.76 0.20 -4.94 115.29 114.21 2keq s HIS 48 Ca -0.03 -1.26 0.03 0.00 -0.15 0.00 0.00 55.06 53.65 2keq s HIS 48 Cb -0.12 -1.61 0.06 0.00 1.11 0.00 0.00 32.58 32.02 2keq s HIS 48 CO 0.02 -0.68 -0.10 0.16 -0.85 0.00 0.00 174.74 173.29 2keq s ASP 49 N 1.48 4.48 0.00 1.40 -4.77 -1.26 -1.02 116.67 116.98 2keq s ASP 49 Ca 0.05 -1.39 0.11 0.00 -3.30 0.00 0.00 52.55 48.01 2keq s ASP 49 Cb -0.13 -1.56 -0.23 0.00 -1.09 0.00 0.00 42.92 39.91 2keq s ASP 49 CO -0.11 -0.20 0.83 0.03 0.70 0.00 0.00 175.17 176.43 2keq h ARG 50 N 7.79 0.01 0.00 2.11 2.47 -1.91 -3.49 114.38 121.36 2keq h ARG 50 Ca -0.19 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 2keq h ARG 50 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2keq h ARG 50 CO 0.47 0.65 0.00 0.41 0.56 0.00 0.00 179.97 182.05 2keq n GLY 51 N 1.51 2.31 3.11 0.04 0.00 -1.24 -4.76 105.19 106.16 2keq n GLY 51 Ca -0.12 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 0.27 0.21 1.61 2.02 -1.26 -3.83 118.70 117.72 2keq s GLU 52 Ca 0.00 0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.23 2keq s GLU 52 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 2keq s GLU 52 CO 0.00 -0.48 -0.06 -0.65 0.02 0.00 0.00 175.26 174.09 2keq s GLN 53 N 2.77 1.28 -0.53 1.61 -0.21 -1.21 -4.95 119.66 118.42 2keq s GLN 53 Ca 0.22 -1.61 -0.27 0.00 0.02 0.00 0.00 55.36 53.72 2keq s GLN 53 Cb -0.03 -0.76 -0.03 0.00 1.00 0.00 0.00 33.01 33.20 2keq s GLN 53 CO -0.22 0.01 1.90 -1.83 -2.12 0.00 0.00 175.29 173.03 2keq s GLU 54 N -3.78 2.73 -0.05 2.91 -1.05 -1.26 -3.34 118.70 114.87 2keq s GLU 54 Ca 0.24 0.88 -0.13 0.00 -0.15 0.00 0.00 54.97 55.81 2keq s GLU 54 Cb 0.04 -4.36 -0.05 0.00 -0.44 0.00 0.00 34.13 29.31 2keq s GLU 54 CO 0.06 -2.59 0.34 0.08 0.95 0.00 0.00 175.26 174.11 2keq s VAL 55 N 8.90 5.17 0.04 1.83 1.01 0.13 -3.85 120.40 133.64 2keq s VAL 55 Ca 0.73 0.68 0.07 0.00 0.00 0.00 0.00 61.98 63.47 2keq s VAL 55 Cb -0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2keq s VAL 55 CO 0.24 0.55 -0.20 -0.36 0.00 0.00 0.00 175.10 175.33 2keq s PHE 56 N -0.79 1.78 0.11 5.22 0.40 -0.60 -1.49 117.98 122.61 2keq s PHE 56 Ca 0.21 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.86 2keq s PHE 56 Cb -0.15 -1.06 -0.09 0.00 0.51 0.00 0.00 43.02 42.23 2keq s PHE 56 CO 0.10 0.09 1.58 -2.00 0.70 0.00 0.00 175.22 175.69 2keq s GLU 57 N -1.17 4.22 -0.59 0.44 2.12 0.16 -3.23 118.70 120.64 2keq s GLU 57 Ca 0.07 2.31 0.04 0.00 0.36 0.00 0.00 54.97 57.75 2keq s GLU 57 Cb -0.09 -3.38 0.15 0.00 0.26 0.00 0.00 34.13 31.07 2keq s GLU 57 CO 0.02 -0.65 0.36 -0.47 -0.54 0.00 0.00 175.26 173.98 2keq s TYR 58 N 1.85 3.34 0.15 5.30 5.04 -0.03 -3.83 117.35 129.17 2keq s TYR 58 Ca 0.71 -3.21 -0.15 0.00 -2.44 0.00 0.00 57.07 51.97 2keq s TYR 58 Cb -0.41 -2.81 -0.07 0.00 0.35 0.00 0.00 41.96 39.02 2keq s TYR 58 CO 0.31 -0.68 0.57 0.00 -1.34 0.00 0.00 175.55 174.41 2keq s LEU 60 N -1.90 3.45 0.55 0.00 1.02 -0.32 -0.91 118.68 120.57 2keq s LEU 60 Ca 0.38 -0.59 0.34 0.00 0.02 0.00 0.00 54.13 54.27 2keq s LEU 60 Cb -0.15 -1.99 1.43 0.00 0.02 0.00 0.00 46.19 45.49 2keq s LEU 60 CO 0.19 -0.26 2.01 -0.33 0.02 0.00 0.00 176.35 177.99 2keq h GLU 61 N 1.46 0.00 0.00 1.70 5.08 -1.89 -1.83 114.58 119.11 2keq h GLU 61 Ca -0.45 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 2keq h GLU 61 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2keq h GLU 61 CO 0.61 0.02 -0.52 0.22 -1.00 0.00 0.00 179.01 178.33 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 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2keq h ASP 62 CO 0.00 0.52 0.00 0.61 -2.88 0.00 0.00 179.24 177.50 2keq n GLY 63 N 0.74 0.90 3.75 -0.78 0.00 -0.69 -5.12 105.19 103.98 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 -1.35 0.00 0.00 0.00 173.32 171.97 2keq s SER 64 N -1.10 5.11 -0.04 1.61 1.04 -1.26 -4.81 113.70 114.26 2keq s SER 64 Ca 0.00 2.73 0.01 0.00 0.48 0.00 0.00 55.95 59.17 2keq s SER 64 Cb 0.00 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.51 2keq s SER 64 CO 0.00 -1.67 -0.04 -0.76 0.98 0.00 0.00 173.24 171.75 2keq s LEU 65 N -3.72 1.39 0.04 2.42 1.43 -1.26 -1.17 118.68 117.80 2keq s LEU 65 Ca 0.74 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2keq s LEU 65 Cb -0.40 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2keq s LEU 65 CO 0.46 -0.04 -0.05 -0.63 0.23 0.00 0.00 176.35 176.31 2keq s ILE 66 N 0.81 0.35 -0.23 -0.59 1.01 -0.27 -5.01 121.20 117.26 2keq s ILE 66 Ca -0.10 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.39 2keq s ILE 66 Cb -0.13 -0.61 0.08 0.00 0.01 0.00 0.00 42.46 41.81 2keq s ILE 66 CO 0.00 -0.51 0.08 -0.13 0.00 0.00 0.00 174.94 174.38 2keq s ARG 67 N -1.85 0.45 0.16 2.79 0.52 -1.26 -0.85 118.95 118.90 2keq s ARG 67 Ca -0.10 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 2keq s ARG 67 Cb -0.08 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 2keq s ARG 67 CO -0.01 -0.79 0.15 0.00 0.02 0.00 0.00 175.30 174.67 2keq s ALA 68 N 1.92 0.65 0.44 2.13 0.00 -1.20 -1.36 121.76 124.34 2keq s ALA 68 Ca 0.04 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.58 2keq s ALA 68 Cb -0.17 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 2keq s ALA 68 CO -0.17 -0.56 0.77 0.95 0.00 0.00 0.00 175.76 176.75 2keq s THR 69 N -4.05 4.85 -1.50 0.00 -4.23 -1.12 -1.56 115.64 108.05 2keq s THR 69 Ca 0.25 0.40 0.19 0.00 -1.18 0.00 0.00 61.69 61.35 2keq s THR 69 Cb 0.06 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.46 2keq s THR 69 CO 0.03 -0.68 1.59 0.29 -0.54 0.00 0.00 174.62 175.31 2keq n LYS 70 N -1.76 0.31 0.05 3.99 4.01 -1.25 -2.30 118.16 121.21 2keq n LYS 70 Ca 0.01 0.09 0.12 0.00 -0.51 0.00 0.00 58.31 58.02 2keq n LYS 70 Cb 0.54 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.64 2keq n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2keq n ASP 71 N -1.25 0.66 -4.72 4.39 8.00 -1.26 -4.17 116.55 118.21 2keq n ASP 71 Ca 0.10 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 2keq n ASP 71 Cb 0.14 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 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 -3.22 3.61 0.32 1.24 2.46 -0.97 -4.17 115.29 114.56 2keq s HIS 72 Ca 0.04 1.59 -0.07 0.00 0.47 0.00 0.00 55.06 57.08 2keq s HIS 72 Cb 0.13 -3.22 -0.06 0.00 -0.13 0.00 0.00 32.58 29.30 2keq s HIS 72 CO 0.77 -0.43 0.62 0.15 -2.47 0.00 0.00 174.74 173.38 2keq s LYS 73 N 0.64 3.71 0.01 2.88 1.02 -1.10 -2.25 119.74 124.65 2keq s LYS 73 Ca 0.53 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.72 2keq s LYS 73 Cb -0.25 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 2keq s LYS 73 CO 0.30 0.15 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.79 2keq s PHE 74 N -2.14 0.21 -0.55 3.18 0.40 -0.92 -0.96 117.98 117.20 2keq s PHE 74 Ca 0.47 -0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 56.31 2keq s PHE 74 Cb -0.11 -0.14 0.00 0.00 0.51 0.00 0.00 43.02 43.29 2keq s PHE 74 CO 0.29 -0.06 1.55 1.41 0.70 0.00 0.00 175.22 179.10 2keq s MET 75 N -0.59 3.16 1.06 0.44 -2.45 -0.71 -3.79 119.30 116.42 2keq s MET 75 Ca -0.05 0.57 -0.13 0.00 -1.25 0.00 0.00 55.69 54.83 2keq s MET 75 Cb -0.04 -4.19 0.22 0.00 1.25 0.00 0.00 34.83 32.07 2keq s MET 75 CO -0.00 -2.11 1.08 0.95 1.05 0.00 0.00 175.02 176.00 2keq s THR 76 N 6.78 1.94 0.60 10.11 -4.23 -1.20 -1.70 115.64 127.95 2keq s THR 76 Ca 0.58 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.39 2keq s THR 76 Cb -0.12 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.64 2keq s THR 76 CO 0.25 0.00 2.10 -0.37 -0.54 0.00 0.00 174.62 176.06 2keq h VAL 77 N -2.12 0.40 -0.01 2.29 -1.51 -1.30 -0.40 116.25 113.60 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 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2keq h VAL 77 CO 0.54 0.00 -0.37 0.47 -1.23 0.00 0.00 177.57 176.97 2keq n ASP 78 N -3.68 1.08 0.00 4.19 8.00 -1.26 -4.92 116.55 119.96 2keq n ASP 78 Ca 0.01 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2keq n ASP 78 Cb 0.32 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 1.39 0.55 3.63 0.44 0.00 -0.16 -5.05 105.19 105.99 2keq n GLY 79 Ca 0.10 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.40 4.13 -1.29 1.61 -0.21 -1.26 -4.81 119.66 115.44 2keq s GLN 80 Ca 0.00 0.62 -0.18 0.00 0.02 0.00 0.00 55.36 55.82 2keq s GLN 80 Cb 0.00 -3.64 0.08 0.00 1.00 0.00 0.00 33.01 30.44 2keq s GLN 80 CO 0.00 -0.42 1.71 -1.64 -2.12 0.00 0.00 175.29 172.82 2keq s MET 81 N 2.52 3.98 0.06 2.91 -1.94 -1.26 -3.26 119.30 122.31 2keq s MET 81 Ca 0.28 -2.01 0.06 0.00 -1.71 0.00 0.00 55.69 52.31 2keq s MET 81 Cb -0.15 -5.50 -0.04 0.00 2.01 0.00 0.00 34.83 31.15 2keq s MET 81 CO 0.08 -2.23 -0.11 -0.51 -0.01 0.00 0.00 175.02 172.25 2keq s LEU 82 N 4.08 3.00 0.51 -0.03 1.43 -1.25 -4.83 118.68 121.59 2keq s LEU 82 Ca 0.53 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 2keq s LEU 82 Cb 0.03 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2keq s LEU 82 CO 0.07 0.22 1.24 -2.16 0.23 0.00 0.00 176.35 175.95 2keq s PRO 83 N -1.84 3.42 0.60 1.29 0.04 -1.26 -2.16 135.00 135.08 2keq s PRO 83 Ca 0.19 1.95 0.30 0.00 0.04 0.00 0.00 61.00 63.47 2keq s PRO 83 Cb -0.11 -2.28 1.77 0.00 0.04 0.00 0.00 34.50 33.92 2keq s PRO 83 CO 0.10 -0.88 2.18 0.97 0.04 0.00 0.00 177.00 179.42 2keq h ILE 84 N 1.58 0.46 -0.68 0.56 2.10 -1.64 -0.07 117.51 119.82 2keq h ILE 84 Ca -0.50 0.00 0.11 0.00 1.08 0.00 0.00 64.86 65.55 2keq h ILE 84 Cb 1.27 0.91 -0.04 0.00 -1.09 0.00 0.00 36.82 37.87 2keq h ILE 84 CO 0.58 0.00 0.45 -0.78 -1.08 0.00 0.00 178.15 177.32 2keq h ASP 85 N 0.00 0.44 0.22 2.19 3.58 -1.88 -2.33 116.42 118.64 2keq h ASP 85 Ca 0.04 0.01 -0.29 0.00 0.42 0.00 0.00 57.03 57.22 2keq h ASP 85 Cb 0.26 -0.08 0.03 0.00 1.72 0.00 0.00 39.33 41.26 2keq h ASP 85 CO -0.00 0.26 -1.26 -0.08 -2.88 0.00 0.00 179.24 175.27 2keq h GLU 86 N 0.48 0.47 -0.63 0.28 4.57 -1.36 -3.37 114.58 115.02 2keq h GLU 86 Ca 0.32 -0.80 0.01 0.00 -1.18 0.00 0.00 59.36 57.71 2keq h GLU 86 Cb 0.59 0.30 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 2keq h GLU 86 CO -0.10 1.38 0.42 0.82 -1.18 0.00 0.00 179.01 180.35 2keq h ILE 87 N -0.03 1.15 -0.32 2.32 2.04 -1.24 -0.03 117.51 121.40 2keq h ILE 87 Ca -0.22 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 2keq h ILE 87 Cb 2.00 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2keq h ILE 87 CO 0.24 0.15 -0.18 0.15 0.00 0.00 0.00 178.15 178.51 2keq h PHE 88 N 0.84 0.64 0.11 1.37 3.57 -1.62 -0.43 116.94 121.42 2keq h PHE 88 Ca 0.23 -0.12 -0.31 0.00 3.53 0.00 0.00 57.97 61.30 2keq h PHE 88 Cb -0.08 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2keq h PHE 88 CO -0.00 0.73 -1.58 0.93 -2.23 0.00 0.00 178.31 176.16 2keq h GLU 89 N 0.52 0.23 0.00 1.11 5.08 -1.52 -3.31 114.58 116.69 2keq h GLU 89 Ca 0.08 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2keq h GLU 89 Cb 0.61 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2keq h GLU 89 CO 0.04 1.08 0.00 0.00 -1.00 0.00 0.00 179.01 179.13 2keq h ARG 90 N 0.06 0.00 -4.50 2.33 2.47 -1.05 -3.47 114.38 110.22 2keq h ARG 90 Ca -0.26 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.09 2keq h ARG 90 Cb 2.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.33 2keq h ARG 90 CO 0.15 0.00 -0.52 0.39 0.56 0.00 0.00 179.97 180.55 2keq n GLU 91 N -2.70 -3.51 -2.57 0.04 1.02 -0.19 -4.98 120.64 107.75 2keq n GLU 91 Ca 0.03 0.72 -0.38 0.00 -0.02 0.00 0.00 57.16 57.50 2keq n GLU 91 Cb 0.36 -5.45 -0.05 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 -6.33 4.34 0.24 -4.62 1.43 -1.11 -4.82 118.68 107.80 2keq s LEU 92 Ca 0.24 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 2keq s LEU 92 Cb -0.12 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 2keq s LEU 92 CO 0.29 -0.27 0.63 -1.81 0.23 0.00 0.00 176.35 175.42 2keq s ASP 93 N -1.33 6.77 0.49 2.29 1.01 -1.26 -4.47 116.67 120.17 2keq s ASP 93 Ca 0.51 1.13 -0.11 0.00 0.71 0.00 0.00 52.55 54.79 2keq s ASP 93 Cb -0.25 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 2keq s ASP 93 CO 0.32 -0.06 0.87 -0.76 0.21 0.00 0.00 175.17 175.75 2keq s LEU 94 N -2.55 3.62 0.43 1.23 1.43 -1.22 -1.02 118.68 120.60 2keq s LEU 94 Ca 0.47 1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2keq s LEU 94 Cb -0.13 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 2keq s LEU 94 CO 0.20 -0.57 0.72 -0.32 0.23 0.00 0.00 176.35 176.60 2keq s MET 95 N -4.35 3.58 0.18 1.70 -2.45 -0.69 -4.46 119.30 112.81 2keq s MET 95 Ca 0.53 0.13 0.01 0.00 -1.25 0.00 0.00 55.69 55.11 2keq s MET 95 Cb -0.10 -2.46 -0.05 0.00 1.25 0.00 0.00 34.83 33.48 2keq s MET 95 CO 0.39 -0.07 0.03 1.03 1.05 0.00 0.00 175.02 177.44 2keq s ARG 96 N -4.40 1.11 0.20 4.11 3.00 -1.26 -3.51 118.95 118.20 2keq s ARG 96 Ca 0.46 -1.55 0.21 0.00 0.00 0.00 0.00 55.73 54.85 2keq s ARG 96 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 34.95 34.72 2keq s ARG 96 CO 0.40 -0.19 1.07 -0.39 0.00 0.00 0.00 175.30 176.18 2keq h VAL 97 N 2.69 0.18 -0.62 3.52 -1.51 -1.61 -3.38 116.25 115.51 2keq h VAL 97 Ca -0.36 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.78 2keq h VAL 97 Cb 1.21 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 2keq h VAL 97 CO 0.61 0.10 0.00 -0.67 -1.23 0.00 0.00 177.57 176.38 2keq n ASP 98 N -2.81 4.38 -2.34 4.19 2.03 -1.26 -4.92 116.55 115.81 2keq n ASP 98 Ca -0.02 -2.34 -0.19 0.00 0.52 0.00 0.00 54.79 52.76 2keq n ASP 98 Cb 0.63 -0.53 -0.01 0.00 -0.72 0.00 0.00 41.12 40.49 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 1.10 -5.54 -4.64 1.67 5.03 -1.26 -4.99 115.26 106.63 2keq n ASN 99 Ca 0.24 0.05 -0.35 0.00 0.87 0.00 0.00 54.58 55.39 2keq n ASN 99 Cb 0.79 -4.64 0.10 0.00 -1.02 0.00 0.00 39.78 35.01 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 -2.93 3.89 -4.77 3.41 4.77 -1.26 -4.97 117.00 115.15 2keq n LEU 100 Ca -0.23 0.65 -0.41 0.00 -0.03 0.00 0.00 56.01 55.99 2keq n LEU 100 Cb 0.67 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.29 2keq n LEU 100 CO 0.27 -1.89 0.95 -2.16 -1.33 0.00 0.00 177.39 173.23 2keq s PRO 101 N -3.59 4.37 -0.21 3.23 0.04 -1.26 -4.83 135.00 132.75 2keq s PRO 101 Ca 0.74 2.16 -0.29 0.00 0.04 0.00 0.00 61.00 63.64 2keq s PRO 101 Cb -0.33 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.16 2keq s PRO 101 CO 0.50 -0.15 1.04 -0.80 0.04 0.00 0.00 177.00 177.63 2keq s ASN 102 N -0.56 7.11 0.03 6.66 -0.87 -1.26 -5.02 114.94 121.03 2keq s ASN 102 Ca 0.49 1.41 -0.04 0.00 -1.57 0.00 0.00 52.86 53.14 2keq s ASN 102 Cb -0.39 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.29 2keq s ASN 102 CO 0.51 -0.65 0.07 0.27 -2.57 0.00 0.00 177.10 174.73 2keq s ILE 103 N 3.08 0.13 0.55 0.60 -4.36 -1.26 -5.00 121.20 114.94 2keq s ILE 103 Ca 0.45 -1.05 0.06 0.00 -0.26 0.00 0.00 60.65 59.85 2keq s ILE 103 Cb -0.16 -0.74 0.06 0.00 1.25 0.00 0.00 42.46 42.88 2keq s ILE 103 CO 0.08 -0.58 0.53 2.29 0.24 0.00 0.00 174.94 177.50 2keq n LYS 104 N 0.99 0.66 -1.85 0.37 -0.00 -1.26 -3.38 118.16 113.69 2keq n LYS 104 Ca -0.20 -3.30 -0.43 0.00 -0.00 0.00 0.00 58.31 54.38 2keq n LYS 104 Cb 0.57 0.17 -0.03 0.00 -0.00 0.00 0.00 35.03 35.74 2keq n LYS 104 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2keq s ILE 105 N -2.66 3.32 0.12 0.58 1.01 -1.26 -3.78 121.20 118.52 2keq s ILE 105 Ca 0.40 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 61.28 2keq s ILE 105 Cb -0.03 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 2keq s ILE 105 CO 0.26 -0.14 1.42 0.00 0.00 0.00 0.00 174.94 176.48 2keq h ALA 106 N 12.03 0.46 -2.74 9.38 0.00 -1.29 -3.48 119.26 133.63 2keq h ALA 106 Ca -0.40 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 2keq h ALA 106 Cb 1.20 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2keq h ALA 106 CO 0.97 0.57 0.11 0.95 0.00 0.00 0.00 179.25 181.85 2keq s THR 107 N -4.27 0.02 0.01 0.00 -4.23 -1.25 -5.02 115.64 100.91 2keq s THR 107 Ca -0.12 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2keq s THR 107 Cb 0.10 -1.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 2keq s THR 107 CO 0.86 -0.10 -0.05 -0.60 -0.54 0.00 0.00 174.62 174.20 2keq s ARG 108 N -3.21 0.37 -0.16 3.99 3.52 -1.26 -3.27 118.95 118.93 2keq s ARG 108 Ca -0.01 -0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 2keq s ARG 108 Cb -0.00 -0.25 0.05 0.00 -1.56 0.00 0.00 34.95 33.19 2keq s ARG 108 CO -0.08 0.06 0.40 0.21 -0.81 0.00 0.00 175.30 175.08 2keq s LYS 109 N -0.65 0.42 0.05 5.12 2.47 -1.25 -4.99 119.74 120.91 2keq s LYS 109 Ca -0.04 0.67 -0.30 0.00 -1.56 0.00 0.00 55.97 54.74 2keq s LYS 109 Cb -0.05 0.08 -0.08 0.00 -1.46 0.00 0.00 37.83 36.32 2keq s LYS 109 CO -0.00 -0.11 1.74 -0.47 0.16 0.00 0.00 175.35 176.66 2keq s TYR 110 N 0.86 2.11 -0.15 4.03 5.04 -1.26 -0.66 117.35 127.31 2keq s TYR 110 Ca -0.05 0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.56 2keq s TYR 110 Cb -0.06 -4.04 -0.23 0.00 0.35 0.00 0.00 41.96 37.97 2keq s TYR 110 CO -0.07 -4.33 0.31 1.28 -1.34 0.00 0.00 175.55 171.40 2keq n LEU 111 N 6.19 2.32 0.00 6.97 4.77 -0.56 -4.90 117.00 131.80 2keq n LEU 111 Ca 0.17 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2keq n LEU 111 Cb 0.41 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2keq n LEU 111 CO 0.64 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2keq n GLY 112 N 1.77 0.19 2.42 -0.72 0.00 -1.14 -5.04 105.19 102.67 2keq n GLY 112 Ca -0.32 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 2keq n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2keq n LYS 113 N 0.00 2.06 -2.60 1.61 4.81 -1.26 -0.69 118.16 122.08 2keq n LYS 113 Ca 0.00 -4.24 -0.29 0.00 -0.87 0.00 0.00 58.31 52.91 2keq n LYS 113 Cb 0.00 -1.95 -0.01 0.00 0.02 0.00 0.00 35.03 33.09 2keq n LYS 113 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2keq s GLN 114 N -2.29 3.64 -0.01 1.64 -0.21 -1.21 -4.61 119.66 116.62 2keq s GLN 114 Ca 0.40 0.39 -0.30 0.00 0.02 0.00 0.00 55.36 55.87 2keq s GLN 114 Cb 0.19 -2.34 -0.07 0.00 1.00 0.00 0.00 33.01 31.79 2keq s GLN 114 CO -0.06 -0.20 1.85 1.21 -2.12 0.00 0.00 175.29 175.97 2keq s ASN 115 N -3.76 6.51 0.12 5.90 3.04 -1.25 -3.30 114.94 122.20 2keq s ASN 115 Ca 0.50 2.46 0.09 0.00 0.04 0.00 0.00 52.86 55.96 2keq s ASN 115 Cb -0.10 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.04 2keq s ASN 115 CO 0.41 -1.03 -0.23 0.68 -3.04 0.00 0.00 177.10 173.89 2keq s VAL 116 N 4.41 1.94 0.04 -5.21 -7.23 -1.26 -3.96 120.40 109.13 2keq s VAL 116 Ca 0.83 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2keq s VAL 116 Cb -0.38 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2keq s VAL 116 CO 0.36 -0.02 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.79 2keq s TYR 117 N -1.20 0.46 0.22 2.82 2.02 -0.15 -2.68 117.35 118.83 2keq s TYR 117 Ca 0.10 -0.95 -0.14 0.00 -0.37 0.00 0.00 57.07 55.71 2keq s TYR 117 Cb -0.10 -0.34 0.01 0.00 -0.40 0.00 0.00 41.96 41.13 2keq s TYR 117 CO 0.05 -0.34 0.47 0.34 -1.57 0.00 0.00 175.55 174.50 2keq s ASP 118 N -2.60 -0.13 0.02 2.29 2.15 -0.18 -1.55 116.67 116.66 2keq s ASP 118 Ca 0.02 -0.76 0.01 0.00 0.43 0.00 0.00 52.55 52.25 2keq s ASP 118 Cb 0.04 0.56 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 2keq s ASP 118 CO -0.08 -1.08 -0.04 0.27 -0.17 0.00 0.00 175.17 174.07 2keq s ILE 119 N -3.96 0.29 0.34 4.11 -4.36 -1.26 -0.62 121.20 115.74 2keq s ILE 119 Ca 0.17 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.94 2keq s ILE 119 Cb -0.00 -0.34 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 2keq s ILE 119 CO 0.03 -0.22 0.53 -0.83 0.24 0.00 0.00 174.94 174.70 2keq s GLY 120 N -0.90 1.34 0.00 6.27 0.00 -0.01 -4.96 107.32 109.07 2keq s GLY 120 Ca -0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 2keq s GLY 120 CO -0.00 -0.91 0.24 -1.34 0.00 0.00 0.00 173.10 171.09 2keq s VAL 121 N -2.29 0.08 0.38 1.40 -7.23 -1.26 -0.55 120.40 110.92 2keq s VAL 121 Ca 0.40 -0.62 -0.18 0.00 -1.81 0.00 0.00 61.98 59.77 2keq s VAL 121 Cb -0.10 -0.63 -0.10 0.00 0.56 0.00 0.00 36.38 36.12 2keq s VAL 121 CO 0.35 -0.34 0.85 -1.61 -0.31 0.00 0.00 175.10 174.04 2keq s GLU 122 N -1.63 4.10 -1.23 4.82 2.02 -1.26 -4.22 118.70 121.30 2keq s GLU 122 Ca -0.12 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.76 2keq s GLU 122 Cb -0.05 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2keq s GLU 122 CO 0.02 0.05 0.00 -2.13 0.02 0.00 0.00 175.26 173.22 2keq n ARG 123 N -0.56 -1.58 -3.66 1.61 0.63 -1.26 -4.90 116.66 106.94 2keq n ARG 123 Ca 0.05 0.82 -0.10 0.00 -0.92 0.00 0.00 57.85 57.71 2keq n ARG 123 Cb 0.54 -5.08 -0.02 0.00 0.45 0.00 0.00 32.46 28.34 2keq n ARG 123 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2keq s ASP 124 N -2.19 -0.38 0.00 6.15 2.15 -1.26 -5.04 116.67 116.10 2keq s ASP 124 Ca 0.00 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 52.66 2keq s ASP 124 Cb 0.00 0.65 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 2keq s ASP 124 CO 0.00 -1.14 0.95 1.41 -0.17 0.00 0.00 175.17 176.23 2keq n HIS 125 N -0.40 0.00 -3.92 -5.34 8.25 -1.26 -4.63 115.22 107.92 2keq n HIS 125 Ca -0.10 -0.05 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 2keq n HIS 125 Cb 0.62 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.96 0.01 0.17 0.41 4.22 -1.26 -1.52 114.94 116.01 2keq s ASN 126 Ca 0.03 -0.95 -0.24 0.00 -2.14 0.00 0.00 52.86 49.56 2keq s ASN 126 Cb 0.04 0.71 0.06 0.00 1.28 0.00 0.00 41.25 43.33 2keq s ASN 126 CO -0.02 -1.37 0.80 0.72 -2.04 0.00 0.00 177.10 175.20 2keq s PHE 127 N -3.44 -0.26 -0.06 1.54 -0.12 -0.83 -4.78 117.98 110.03 2keq s PHE 127 Ca 0.18 -0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 56.91 2keq s PHE 127 Cb -0.03 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 42.94 2keq s PHE 127 CO 0.10 -0.92 0.27 0.00 -0.05 0.00 0.00 175.22 174.62 2keq s ALA 128 N -3.55 3.80 0.59 1.99 0.00 -0.47 -2.12 121.76 122.01 2keq s ALA 128 Ca 0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 2keq s ALA 128 Cb -0.03 -2.15 0.04 0.00 0.00 0.00 0.00 23.12 20.98 2keq s ALA 128 CO -0.01 0.57 0.83 -0.51 0.00 0.00 0.00 175.76 176.64 2keq s LEU 129 N -1.13 3.17 0.14 0.00 1.43 0.26 -3.82 118.68 118.73 2keq s LEU 129 Ca 0.20 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 2keq s LEU 129 Cb -0.14 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 2keq s LEU 129 CO 0.09 -1.28 1.56 0.50 0.23 0.00 0.00 176.35 177.46 2keq h LYS 130 N -0.09 -0.38 -0.54 1.70 3.64 -1.77 -2.60 116.57 116.52 2keq h LYS 130 Ca -0.42 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.87 2keq h LYS 130 Cb 1.30 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 2keq h LYS 130 CO 0.53 -0.26 -0.11 -0.91 -2.27 0.00 0.00 179.45 176.43 2keq h ASN 131 N -0.40 1.02 0.00 4.20 2.35 -1.97 -3.47 115.58 117.31 2keq h ASN 131 Ca 0.10 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2keq h ASN 131 Cb 0.61 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2keq h ASN 131 CO -0.55 1.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.97 2keq n GLY 132 N -0.28 -0.35 3.63 2.83 0.00 -0.98 -4.79 105.19 105.25 2keq n GLY 132 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2keq n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2keq n PHE 133 N 0.00 0.51 -4.93 1.61 3.72 -1.26 -1.52 117.46 115.60 2keq n PHE 133 Ca 0.00 0.34 -0.30 0.00 -0.05 0.00 0.00 57.45 57.44 2keq n PHE 133 Cb 0.00 -1.96 -0.17 0.00 -0.94 0.00 0.00 39.48 36.42 2keq n PHE 133 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2keq s ILE 134 N -2.60 1.75 0.06 4.37 1.09 -1.23 -0.57 121.20 124.07 2keq s ILE 134 Ca 0.66 -0.83 0.09 0.00 -1.10 0.00 0.00 60.65 59.47 2keq s ILE 134 Cb -0.23 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.60 2keq s ILE 134 CO 0.59 0.49 -0.23 0.00 -0.10 0.00 0.00 174.94 175.69 2keq s ALA 135 N 0.53 2.41 0.03 9.38 0.00 -0.90 -1.74 121.76 131.47 2keq s ALA 135 Ca -0.16 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.55 2keq s ALA 135 Cb -0.17 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2keq s ALA 135 CO 0.06 0.55 -0.07 0.45 0.00 0.00 0.00 175.76 176.75 2keq s SER 136 N -1.46 0.72 0.00 0.00 0.15 -0.14 -1.96 113.70 111.00 2keq s SER 136 Ca 0.13 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2keq s SER 136 Cb -0.10 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2keq s SER 136 CO 0.04 -0.20 0.00 -3.20 1.20 0.00 0.00 173.24 171.08