#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eak s GLN 7 N 0.00 0.94 0.08 1.43 0.74 -1.26 -4.65 119.66 116.94 2eak s GLN 7 Ca 0.00 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 2eak s GLN 7 Cb 0.00 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 2eak s GLN 7 CO 0.00 -1.22 0.27 0.00 -0.55 0.00 0.00 175.29 173.79 2eak s ALA 8 N 1.24 3.92 0.85 1.58 0.00 -1.26 -5.06 121.76 123.04 2eak s ALA 8 Ca 0.24 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 2eak s ALA 8 Cb -0.01 -1.95 0.10 0.00 0.00 0.00 0.00 23.12 21.26 2eak s ALA 8 CO -0.06 0.76 1.12 -1.25 0.00 0.00 0.00 175.76 176.33 2eak s PRO 9 N -2.45 1.61 -0.32 0.00 0.04 -1.26 -4.87 135.00 127.75 2eak s PRO 9 Ca 0.36 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 2eak s PRO 9 Cb -0.13 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2eak s PRO 9 CO 0.25 -1.90 0.44 0.71 0.04 0.00 0.00 177.00 176.54 2eak s TYR 10 N -3.26 3.21 -0.12 0.56 2.02 0.14 -4.95 117.35 114.95 2eak s TYR 10 Ca 0.62 0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 57.44 2eak s TYR 10 Cb -0.14 -2.75 -0.05 0.00 -0.40 0.00 0.00 41.96 38.62 2eak s TYR 10 CO 0.53 -0.41 0.30 -0.51 -1.57 0.00 0.00 175.55 173.89 2eak s LEU 11 N 2.21 4.32 -1.44 -1.29 1.43 -1.26 -1.33 118.68 121.32 2eak s LEU 11 Ca 0.16 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 2eak s LEU 11 Cb -0.16 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2eak s LEU 11 CO 0.12 0.20 0.23 -1.20 0.23 0.00 0.00 176.35 175.92 2eak n SER 12 N 2.93 -0.64 -4.76 2.29 7.64 0.13 -4.87 113.62 116.34 2eak n SER 12 Ca -0.14 -1.27 -0.40 0.00 1.01 0.00 0.00 58.87 58.07 2eak n SER 12 Cb 0.52 -1.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 2eak n SER 12 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eak s PRO 13 N -7.36 4.51 0.42 1.43 0.04 -1.25 -4.99 135.00 127.80 2eak s PRO 13 Ca 0.15 1.99 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 2eak s PRO 13 Cb -0.08 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 2eak s PRO 13 CO 0.99 0.03 1.20 0.00 0.04 0.00 0.00 177.00 179.26 2eak s ALA 14 N -1.10 3.12 -0.14 8.56 0.00 -1.26 -4.26 121.76 126.69 2eak s ALA 14 Ca 0.47 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 2eak s ALA 14 Cb -0.35 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2eak s ALA 14 CO 0.46 -0.66 -0.01 0.08 0.00 0.00 0.00 175.76 175.63 2eak s VAL 15 N -1.40 4.15 0.37 0.00 1.01 -1.26 -3.31 120.40 119.95 2eak s VAL 15 Ca 0.59 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 2eak s VAL 15 Cb -0.32 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2eak s VAL 15 CO 0.40 0.52 1.10 -2.16 0.00 0.00 0.00 175.10 174.97 2eak s PRO 16 N -0.01 4.25 0.03 2.72 0.04 -1.26 -4.99 135.00 135.77 2eak s PRO 16 Ca 0.02 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.84 2eak s PRO 16 Cb -0.13 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2eak s PRO 16 CO 0.02 -0.11 -0.25 0.12 0.04 0.00 0.00 177.00 176.82 2eak s PHE 17 N -1.45 2.16 -0.05 0.56 5.36 0.18 -4.99 117.98 119.76 2eak s PHE 17 Ca 0.54 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 56.09 2eak s PHE 17 Cb -0.28 -1.32 0.04 0.00 -0.34 0.00 0.00 43.02 41.12 2eak s PHE 17 CO 0.35 0.07 0.11 0.45 -1.46 0.00 0.00 175.22 174.74 2eak s SER 18 N -1.04 0.08 -0.02 6.13 0.15 -1.26 -1.38 113.70 116.36 2eak s SER 18 Ca 0.10 0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.83 2eak s SER 18 Cb -0.10 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 2eak s SER 18 CO 0.01 -0.16 0.29 -0.83 1.20 0.00 0.00 173.24 173.75 2eak s GLY 19 N 1.29 -0.13 0.31 9.45 0.00 -0.34 -5.00 107.32 112.91 2eak s GLY 19 Ca -0.07 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.66 2eak s GLY 19 CO -0.05 0.12 1.57 2.41 0.00 0.00 0.00 173.10 177.15 2eak n THR 20 N 1.43 1.24 -3.31 0.90 -1.04 -1.26 -0.55 114.28 111.68 2eak n THR 20 Ca -0.21 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.06 2eak n THR 20 Cb 0.56 -1.96 -0.09 0.00 -1.82 0.00 0.00 70.33 67.02 2eak n THR 20 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2eak s ILE 21 N -0.25 5.08 0.03 12.58 1.01 -0.01 -4.04 121.20 135.60 2eak s ILE 21 Ca 0.62 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 2eak s ILE 21 Cb -0.49 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 37.88 2eak s ILE 21 CO 0.52 -0.39 1.64 -1.58 0.00 0.00 0.00 174.94 175.13 2eak s GLN 22 N 2.17 4.20 0.00 2.79 2.00 -1.26 -1.17 119.66 128.39 2eak s GLN 22 Ca 0.13 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 55.75 2eak s GLN 22 Cb -0.17 -3.72 0.00 0.00 0.80 0.00 0.00 33.01 29.92 2eak s GLN 22 CO 0.14 -0.76 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 2eak n GLY 23 N 4.02 0.93 3.15 2.59 0.00 -1.26 -4.08 105.19 110.54 2eak n GLY 23 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2eak n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eak n GLY 24 N -2.10 -1.71 3.73 -0.02 0.00 -0.32 -4.77 105.19 100.01 2eak n GLY 24 Ca 0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2eak n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eak s LEU 25 N 0.00 4.39 0.04 0.99 1.43 -0.71 -5.00 118.68 119.82 2eak s LEU 25 Ca 0.00 2.56 0.02 0.00 -1.03 0.00 0.00 54.13 55.68 2eak s LEU 25 Cb 0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2eak s LEU 25 CO 0.00 -0.69 -0.08 -1.10 0.23 0.00 0.00 176.35 174.71 2eak s GLN 26 N 0.22 0.55 0.09 1.70 -1.52 -1.26 -4.14 119.66 115.30 2eak s GLN 26 Ca 0.62 -0.77 -0.36 0.00 -1.95 0.00 0.00 55.36 52.89 2eak s GLN 26 Cb -0.41 -0.34 -0.16 0.00 -0.22 0.00 0.00 33.01 31.88 2eak s GLN 26 CO 0.38 0.06 1.39 -3.47 -0.25 0.00 0.00 175.29 173.40 2eak n ASP 27 N 1.45 1.94 0.00 5.90 2.03 -1.26 -1.51 116.55 125.10 2eak n ASP 27 Ca -0.23 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2eak n ASP 27 Cb 0.55 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 2eak n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2eak n GLY 28 N 2.72 1.88 3.74 0.27 0.00 0.84 -5.02 105.19 109.62 2eak n GLY 28 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2eak n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eak s LEU 29 N 0.00 4.39 -0.17 0.99 2.96 -0.57 -4.72 118.68 121.57 2eak s LEU 29 Ca 0.00 2.56 -0.01 0.00 -0.22 0.00 0.00 54.13 56.46 2eak s LEU 29 Cb 0.00 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 2eak s LEU 29 CO 0.00 -0.66 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.15 2eak s GLN 30 N -0.04 3.28 -0.21 1.98 -0.21 -1.26 -1.61 119.66 121.59 2eak s GLN 30 Ca 0.60 -0.71 -0.03 0.00 0.02 0.00 0.00 55.36 55.25 2eak s GLN 30 Cb -0.40 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 30.89 2eak s GLN 30 CO 0.40 -0.00 -0.08 0.42 -2.12 0.00 0.00 175.29 173.90 2eak s ILE 31 N 0.90 3.03 -0.16 1.08 1.09 0.78 -0.75 121.20 127.17 2eak s ILE 31 Ca -0.03 -0.63 -0.07 0.00 -1.10 0.00 0.00 60.65 58.82 2eak s ILE 31 Cb -0.15 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 2eak s ILE 31 CO -0.01 0.43 0.06 -0.89 -0.10 0.00 0.00 174.94 174.44 2eak s THR 32 N 1.43 4.78 -0.29 2.92 2.01 0.31 -0.77 115.64 126.02 2eak s THR 32 Ca 0.05 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2eak s THR 32 Cb -0.14 -3.13 0.06 0.00 0.01 0.00 0.00 72.50 69.30 2eak s THR 32 CO -0.06 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 2eak s VAL 33 N 0.07 2.61 -0.21 3.82 1.01 0.10 -1.19 120.40 126.61 2eak s VAL 33 Ca 0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.41 2eak s VAL 33 Cb -0.12 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2eak s VAL 33 CO 0.01 -0.13 -0.04 0.21 0.00 0.00 0.00 175.10 175.14 2eak s ASN 34 N 1.19 4.39 0.00 3.32 3.84 0.06 -0.74 114.94 127.00 2eak s ASN 34 Ca -0.05 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 52.68 2eak s ASN 34 Cb -0.20 -1.74 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 2eak s ASN 34 CO -0.03 0.02 0.00 0.61 -2.79 0.00 0.00 177.10 174.91 2eak n GLY 35 N 4.53 2.31 2.95 1.21 0.00 -0.62 -0.02 105.19 115.55 2eak n GLY 35 Ca -0.18 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2eak n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eak s THR 36 N -1.13 -0.03 0.08 2.61 2.01 0.13 -0.24 115.64 119.07 2eak s THR 36 Ca 0.00 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.82 2eak s THR 36 Cb 0.00 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 72.21 2eak s THR 36 CO 0.00 0.05 1.42 -0.69 -0.69 0.00 0.00 174.62 174.71 2eak s VAL 37 N 0.83 3.35 0.60 3.82 1.01 -0.97 -0.96 120.40 128.09 2eak s VAL 37 Ca -0.06 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2eak s VAL 37 Cb -0.08 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2eak s VAL 37 CO -0.04 0.05 1.22 0.18 0.00 0.00 0.00 175.10 176.50 2eak n LEU 38 N 4.45 5.22 0.15 3.92 4.77 -0.65 -0.41 117.00 134.44 2eak n LEU 38 Ca 0.12 0.87 0.12 0.00 -0.03 0.00 0.00 56.01 57.10 2eak n LEU 38 Cb 0.42 -1.51 0.24 0.00 -2.33 0.00 0.00 43.42 40.24 2eak n LEU 38 CO 0.59 -1.12 0.73 0.28 -1.33 0.00 0.00 177.39 176.54 2eak h SER 39 N 0.79 0.00 0.00 -1.43 0.02 -1.90 -3.21 113.55 107.81 2eak h SER 39 Ca -0.50 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2eak h SER 39 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2eak h SER 39 CO 0.54 0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.70 2eak n SER 40 N -2.67 0.00 -0.66 3.07 3.41 -1.26 -4.84 113.62 110.67 2eak n SER 40 Ca 0.04 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.71 2eak n SER 40 Cb 0.49 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.56 2eak n SER 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2eak n SER 41 N 0.00 1.46 -2.12 4.04 3.41 -1.26 -4.75 113.62 114.40 2eak n SER 41 Ca 0.00 -3.00 -0.02 0.00 -0.26 0.00 0.00 58.87 55.59 2eak n SER 41 Cb 0.00 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.56 2eak n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eak n GLY 42 N -0.67 -0.33 0.27 5.00 0.00 -1.26 -5.03 105.19 103.16 2eak n GLY 42 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2eak n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2eak n THR 43 N -1.65 0.00 -3.78 2.61 -2.24 -1.26 -4.95 114.28 103.01 2eak n THR 43 Ca -0.01 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2eak n THR 43 Cb 0.52 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.81 2eak n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2eak s ARG 44 N -0.69 0.79 0.08 -0.78 0.52 -1.26 0.50 118.95 118.11 2eak s ARG 44 Ca 0.08 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 2eak s ARG 44 Cb 0.06 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.85 2eak s ARG 44 CO 0.11 -0.25 0.11 -0.59 0.02 0.00 0.00 175.30 174.69 2eak s PHE 45 N -2.69 0.34 0.02 -0.53 -0.12 -1.01 -0.35 117.98 113.64 2eak s PHE 45 Ca -0.04 -0.81 0.02 0.00 -0.05 0.00 0.00 56.93 56.04 2eak s PHE 45 Cb -0.00 -0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2eak s PHE 45 CO -0.04 -0.49 -0.06 0.00 -0.05 0.00 0.00 175.22 174.57 2eak s ALA 46 N -3.90 0.43 -0.15 1.99 0.00 -0.05 -2.89 121.76 117.19 2eak s ALA 46 Ca 0.08 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2eak s ALA 46 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2eak s ALA 46 CO -0.09 0.00 -0.17 0.08 0.00 0.00 0.00 175.76 175.58 2eak s VAL 47 N -0.88 2.48 -0.13 0.00 1.01 -0.15 -1.75 120.40 120.97 2eak s VAL 47 Ca -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2eak s VAL 47 Cb -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2eak s VAL 47 CO 0.00 0.52 -0.19 0.20 0.00 0.00 0.00 175.10 175.63 2eak s ASN 48 N 0.85 3.40 -0.43 3.32 0.02 0.88 -0.96 114.94 122.02 2eak s ASN 48 Ca -0.05 -0.51 -0.15 0.00 -1.02 0.00 0.00 52.86 51.13 2eak s ASN 48 Cb -0.15 -1.49 0.04 0.00 0.02 0.00 0.00 41.25 39.67 2eak s ASN 48 CO -0.01 0.12 0.33 -0.36 0.02 0.00 0.00 177.10 177.19 2eak s PHE 49 N 0.61 3.25 0.31 2.20 0.08 0.35 -1.24 117.98 123.53 2eak s PHE 49 Ca -0.11 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.20 2eak s PHE 49 Cb -0.16 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 2eak s PHE 49 CO 0.03 -0.68 0.13 1.14 -0.10 0.00 0.00 175.22 175.74 2eak s GLN 50 N 1.65 1.59 -0.29 0.44 -2.07 -0.36 -0.51 119.66 120.10 2eak s GLN 50 Ca 0.04 -1.90 -0.07 0.00 -1.82 0.00 0.00 55.36 51.61 2eak s GLN 50 Cb -0.21 -0.29 0.01 0.00 -1.09 0.00 0.00 33.01 31.42 2eak s GLN 50 CO 0.08 -0.38 0.09 0.99 -1.32 0.00 0.00 175.29 174.75 2eak s THR 51 N -3.57 4.03 0.00 3.63 2.01 -0.18 -2.04 115.64 119.53 2eak s THR 51 Ca 0.35 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2eak s THR 51 Cb 0.06 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2eak s THR 51 CO 0.16 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 2eak n GLY 52 N 4.88 -0.86 0.10 4.40 0.00 -1.26 -4.47 105.19 107.98 2eak n GLY 52 Ca -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 2eak n GLY 52 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2eak h PHE 53 N 0.00 0.00 -0.05 1.61 3.57 -1.98 -3.40 116.94 116.70 2eak h PHE 53 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2eak h PHE 53 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2eak h PHE 53 CO 0.00 0.68 -0.42 0.66 -2.23 0.00 0.00 178.31 177.00 2eak h SER 54 N 0.00 0.11 0.00 0.41 4.64 -1.97 -3.47 113.55 113.26 2eak h SER 54 Ca -0.10 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2eak h SER 54 Cb 1.61 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2eak h SER 54 CO 0.07 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 2eak n GLY 55 N -0.26 0.69 0.21 -0.77 0.00 -1.26 -4.91 105.19 98.88 2eak n GLY 55 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2eak n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2eak h ASN 56 N 0.00 0.00 -3.57 1.61 -0.26 -1.90 -3.39 115.58 108.06 2eak h ASN 56 Ca 0.00 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.13 2eak h ASN 56 Cb 0.04 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.90 2eak h ASN 56 CO 0.00 0.15 -0.72 -1.81 -1.06 0.00 0.00 177.43 173.99 2eak s ASP 57 N -6.16 3.93 -0.35 5.81 1.01 -1.26 -0.61 116.67 119.04 2eak s ASP 57 Ca 0.04 -2.43 -0.05 0.00 0.71 0.00 0.00 52.55 50.82 2eak s ASP 57 Cb 0.07 -1.14 0.06 0.00 1.01 0.00 0.00 42.92 42.92 2eak s ASP 57 CO 0.66 -0.30 0.12 -0.63 0.21 0.00 0.00 175.17 175.23 2eak s ILE 58 N 0.58 3.63 0.34 0.77 1.01 0.08 -1.01 121.20 126.61 2eak s ILE 58 Ca 0.15 -1.36 0.04 0.00 0.00 0.00 0.00 60.65 59.48 2eak s ILE 58 Cb -0.23 -3.15 0.19 0.00 0.01 0.00 0.00 42.46 39.28 2eak s ILE 58 CO -0.06 -0.29 1.91 0.00 0.00 0.00 0.00 174.94 176.50 2eak h ALA 59 N 8.18 1.42 -2.11 9.38 0.00 -1.02 -0.34 119.26 134.77 2eak h ALA 59 Ca -0.21 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2eak h ALA 59 Cb 1.07 -0.17 -0.30 0.00 0.00 0.00 0.00 17.79 18.39 2eak h ALA 59 CO 0.63 0.42 -0.47 0.12 0.00 0.00 0.00 179.25 179.95 2eak s PHE 60 N -5.17 -0.75 -0.29 0.00 5.36 -1.09 -4.52 117.98 111.51 2eak s PHE 60 Ca -0.08 0.92 -0.09 0.00 -0.96 0.00 0.00 56.93 56.71 2eak s PHE 60 Cb 0.16 0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 42.85 2eak s PHE 60 CO 0.76 -0.64 0.14 -1.58 -1.46 0.00 0.00 175.22 172.44 2eak s HIS 61 N 2.53 3.16 -0.24 10.12 5.65 -0.06 -0.49 115.29 135.96 2eak s HIS 61 Ca 0.09 -0.34 0.01 0.00 0.25 0.00 0.00 55.06 55.07 2eak s HIS 61 Cb -0.15 -2.33 0.04 0.00 -1.18 0.00 0.00 32.58 28.97 2eak s HIS 61 CO -0.14 -0.35 -0.11 0.12 -0.65 0.00 0.00 174.74 173.61 2eak s PHE 62 N 1.65 3.10 -0.48 3.88 5.36 -0.14 -1.59 117.98 129.77 2eak s PHE 62 Ca 0.06 -1.93 0.04 0.00 -0.96 0.00 0.00 56.93 54.14 2eak s PHE 62 Cb -0.16 -1.98 0.17 0.00 -0.34 0.00 0.00 43.02 40.71 2eak s PHE 62 CO 0.07 -0.82 0.37 1.21 -1.46 0.00 0.00 175.22 174.59 2eak s ASN 63 N 1.22 2.29 0.24 6.13 2.47 -0.16 -0.97 114.94 126.15 2eak s ASN 63 Ca -0.03 -3.24 -0.31 0.00 0.42 0.00 0.00 52.86 49.69 2eak s ASN 63 Cb -0.17 -0.73 -0.12 0.00 -1.45 0.00 0.00 41.25 38.77 2eak s ASN 63 CO -0.06 -0.15 1.66 -2.65 -3.72 0.00 0.00 177.10 172.17 2eak n PRO 64 N 2.65 2.71 -4.19 0.43 -0.02 -1.14 -1.38 135.00 134.06 2eak n PRO 64 Ca 0.27 0.97 -0.28 0.00 -2.02 0.00 0.00 63.50 62.44 2eak n PRO 64 Cb 0.44 -2.78 -0.17 0.00 -0.02 0.00 0.00 33.50 30.97 2eak n PRO 64 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2eak s ARG 65 N 0.43 1.94 -1.18 -0.52 0.52 0.98 -2.42 118.95 118.70 2eak s ARG 65 Ca 0.71 -0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 55.42 2eak s ARG 65 Cb -0.51 -1.77 0.23 0.00 0.52 0.00 0.00 34.95 33.42 2eak s ARG 65 CO 0.40 -0.16 1.84 1.19 0.02 0.00 0.00 175.30 178.59 2eak n PHE 66 N 4.52 2.60 -3.80 -0.53 3.72 0.18 -1.44 117.46 122.71 2eak n PHE 66 Ca -0.17 -2.68 -0.12 0.00 -0.05 0.00 0.00 57.45 54.43 2eak n PHE 66 Cb 0.51 -1.57 -0.09 0.00 -0.94 0.00 0.00 39.48 37.39 2eak n PHE 66 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2eak s GLU 67 N -1.79 0.64 -1.60 -1.08 2.02 -1.26 -4.81 118.70 110.81 2eak s GLU 67 Ca 0.39 -0.31 -0.15 0.00 0.02 0.00 0.00 54.97 54.93 2eak s GLU 67 Cb 0.11 0.28 0.11 0.00 0.10 0.00 0.00 34.13 34.73 2eak s GLU 67 CO -0.00 -0.17 0.84 -0.25 0.02 0.00 0.00 175.26 175.69 2eak n ASP 68 N 1.21 -3.61 0.00 -0.19 8.00 -1.26 0.13 116.55 120.83 2eak n ASP 68 Ca -0.21 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2eak n ASP 68 Cb 0.56 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 2eak n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2eak n GLY 69 N -1.57 0.82 0.25 0.44 0.00 -1.26 -4.83 105.19 99.04 2eak n GLY 69 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2eak n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eak n GLY 70 N -2.00 -1.10 3.45 -0.02 0.00 0.12 -4.91 105.19 100.73 2eak n GLY 70 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2eak n GLY 70 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2eak s TYR 71 N 0.00 -0.24 -0.14 1.61 -0.85 -0.52 -4.34 117.35 112.86 2eak s TYR 71 Ca 0.00 -0.07 -0.02 0.00 -0.52 0.00 0.00 57.07 56.46 2eak s TYR 71 Cb 0.00 0.40 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 2eak s TYR 71 CO 0.00 -0.85 -0.09 0.08 -1.52 0.00 0.00 175.55 173.16 2eak s VAL 72 N -3.83 3.35 -0.10 -3.49 1.01 0.13 -0.01 120.40 117.46 2eak s VAL 72 Ca 0.06 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 2eak s VAL 72 Cb -0.00 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2eak s VAL 72 CO -0.07 0.51 0.43 -0.69 0.00 0.00 0.00 175.10 175.27 2eak s VAL 73 N 0.42 5.18 -0.10 2.92 1.01 -0.48 -0.80 120.40 128.55 2eak s VAL 73 Ca -0.08 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2eak s VAL 73 Cb -0.15 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2eak s VAL 73 CO 0.04 0.39 -0.17 0.00 0.00 0.00 0.00 175.10 175.36 2eak s ASN 75 N 0.03 -0.07 -0.02 0.00 3.84 -0.62 -0.97 114.94 117.14 2eak s ASN 75 Ca -0.06 -0.90 0.03 0.00 0.21 0.00 0.00 52.86 52.14 2eak s ASN 75 Cb -0.15 0.75 -0.00 0.00 -0.55 0.00 0.00 41.25 41.30 2eak s ASN 75 CO 0.05 -1.44 -0.11 -0.89 -2.79 0.00 0.00 177.10 171.91 2eak s THR 76 N -3.31 0.94 -0.11 -5.21 2.01 -1.26 -0.88 115.64 107.82 2eak s THR 76 Ca 0.15 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2eak s THR 76 Cb -0.05 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2eak s THR 76 CO 0.10 0.27 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.57 2eak s ARG 77 N -0.09 3.15 -0.08 4.92 3.52 -0.14 -1.20 118.95 129.04 2eak s ARG 77 Ca 0.01 -0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2eak s ARG 77 Cb -0.07 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 30.77 2eak s ARG 77 CO 0.00 0.33 -0.05 -0.65 -0.81 0.00 0.00 175.30 174.12 2eak s GLN 78 N 0.04 1.12 -1.28 5.12 -0.21 -0.32 -0.74 119.66 123.39 2eak s GLN 78 Ca -0.04 -0.13 -0.02 0.00 0.02 0.00 0.00 55.36 55.18 2eak s GLN 78 Cb -0.14 -1.21 0.02 0.00 1.00 0.00 0.00 33.01 32.67 2eak s GLN 78 CO 0.04 -0.20 0.05 -1.71 -2.12 0.00 0.00 175.29 171.35 2eak n ASN 79 N 4.66 0.54 0.00 5.90 5.15 -1.07 -0.79 115.26 129.65 2eak n ASN 79 Ca -0.15 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 2eak n ASN 79 Cb 0.50 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 2eak n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2eak n GLY 80 N -2.15 1.28 3.39 8.20 0.00 0.22 -5.02 105.19 111.12 2eak n GLY 80 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2eak n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eak s SER 81 N -3.09 4.78 0.29 1.61 0.01 0.03 -5.05 113.70 112.28 2eak s SER 81 Ca 0.00 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 2eak s SER 81 Cb 0.00 -1.84 -0.10 0.00 0.21 0.00 0.00 66.02 64.29 2eak s SER 81 CO 0.00 -0.02 1.13 0.26 0.41 0.00 0.00 173.24 175.02 2eak s TRP 82 N 1.53 3.50 0.08 2.43 0.52 -1.26 -1.17 118.94 124.56 2eak s TRP 82 Ca 0.06 1.65 -0.01 0.00 0.02 0.00 0.00 56.10 57.82 2eak s TRP 82 Cb -0.15 -3.35 0.02 0.00 -1.15 0.00 0.00 33.47 28.84 2eak s TRP 82 CO 0.01 -0.75 0.10 0.41 0.02 0.00 0.00 176.95 176.74 2eak n GLY 83 N 1.15 -0.48 3.74 0.98 0.00 -0.34 -4.98 105.19 105.26 2eak n GLY 83 Ca -0.01 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2eak n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eak s PRO 84 N -3.02 4.57 0.34 1.61 0.04 -1.26 -4.87 135.00 132.41 2eak s PRO 84 Ca 0.06 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 2eak s PRO 84 Cb -0.00 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 2eak s PRO 84 CO 0.04 0.04 1.00 -1.21 0.04 0.00 0.00 177.00 176.92 2eak s GLU 85 N -0.51 4.45 -0.22 4.56 2.02 -1.26 -4.81 118.70 122.92 2eak s GLU 85 Ca 0.50 1.46 -0.08 0.00 0.02 0.00 0.00 54.97 56.87 2eak s GLU 85 Cb -0.31 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2eak s GLU 85 CO 0.37 0.12 0.09 -1.21 0.02 0.00 0.00 175.26 174.65 2eak s GLU 86 N -2.11 3.87 -0.10 1.61 2.02 -0.14 -4.97 118.70 118.88 2eak s GLU 86 Ca 0.52 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.15 2eak s GLU 86 Cb -0.22 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 2eak s GLU 86 CO 0.28 0.03 -0.16 1.03 0.02 0.00 0.00 175.26 176.46 2eak s ARG 87 N 1.06 3.04 -0.11 1.61 0.52 -1.26 0.37 118.95 124.17 2eak s ARG 87 Ca 0.05 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2eak s ARG 87 Cb -0.14 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2eak s ARG 87 CO 0.04 0.33 -0.23 0.21 0.02 0.00 0.00 175.30 175.66 2eak s LYS 88 N 0.02 3.05 0.34 3.54 2.47 0.02 -4.94 119.74 124.24 2eak s LYS 88 Ca -0.05 -0.87 -0.02 0.00 -1.56 0.00 0.00 55.97 53.47 2eak s LYS 88 Cb -0.15 -2.35 0.07 0.00 -1.46 0.00 0.00 37.83 33.94 2eak s LYS 88 CO 0.05 0.12 0.47 0.25 0.16 0.00 0.00 175.35 176.39 2eak n THR 89 N 3.70 0.00 -3.69 3.43 -2.24 -1.26 -0.69 114.28 113.53 2eak n THR 89 Ca -0.19 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.71 2eak n THR 89 Cb 0.53 -1.35 0.03 0.00 -2.10 0.00 0.00 70.33 67.44 2eak n THR 89 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2eak n HIS 90 N -2.24 -1.91 -2.70 4.78 8.25 -1.26 -4.89 115.22 115.24 2eak n HIS 90 Ca 0.07 0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 57.72 2eak n HIS 90 Cb 0.25 -3.72 -0.05 0.00 1.12 0.00 0.00 29.99 27.60 2eak n HIS 90 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2eak s MET 91 N -5.93 4.73 -0.39 -0.41 1.75 -1.26 -4.94 119.30 112.84 2eak s MET 91 Ca 0.31 1.51 -0.01 0.00 -1.25 0.00 0.00 55.69 56.25 2eak s MET 91 Cb -0.10 -3.33 0.25 0.00 2.84 0.00 0.00 34.83 34.49 2eak s MET 91 CO 0.85 0.28 2.05 -0.35 -0.65 0.00 0.00 175.02 177.20 2eak n PRO 92 N 2.35 2.00 -4.64 4.11 -0.04 -1.26 -4.83 135.00 132.68 2eak n PRO 92 Ca 0.01 -1.93 -0.27 0.00 -0.04 0.00 0.00 63.50 61.27 2eak n PRO 92 Cb 0.48 -1.76 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 2eak n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2eak s PHE 93 N -2.20 2.05 0.01 0.54 0.08 -1.26 -4.95 117.98 112.24 2eak s PHE 93 Ca 0.39 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.05 2eak s PHE 93 Cb 0.30 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.55 2eak s PHE 93 CO -0.02 0.16 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.59 2eak s GLN 94 N -1.44 0.15 0.15 0.44 -0.21 -1.26 -5.09 119.66 112.40 2eak s GLN 94 Ca 0.10 -0.18 -0.34 0.00 0.02 0.00 0.00 55.36 54.95 2eak s GLN 94 Cb -0.10 -0.06 -0.15 0.00 1.00 0.00 0.00 33.01 33.71 2eak s GLN 94 CO 0.03 0.01 1.49 1.63 -2.12 0.00 0.00 175.29 176.33 2eak n LYS 95 N 2.71 1.85 -0.97 2.91 5.02 -1.26 -0.97 118.16 127.45 2eak n LYS 95 Ca -0.15 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2eak n LYS 95 Cb 0.59 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 2eak n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eak n GLY 96 N 3.03 0.83 3.65 0.72 0.00 0.45 -4.87 105.19 108.99 2eak n GLY 96 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2eak n GLY 96 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2eak s MET 97 N -0.09 3.89 0.72 1.61 0.00 -0.14 -4.83 119.30 120.46 2eak s MET 97 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 55.69 55.20 2eak s MET 97 Cb 0.00 -3.18 0.03 0.00 0.00 0.00 0.00 34.83 31.68 2eak s MET 97 CO 0.00 0.32 1.18 -2.14 0.00 0.00 0.00 175.02 174.38 2eak s PRO 98 N 0.23 2.29 0.02 4.11 0.02 -1.26 -2.28 135.00 138.12 2eak s PRO 98 Ca 0.04 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 2eak s PRO 98 Cb -0.12 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.55 2eak s PRO 98 CO 0.00 -1.69 0.24 -0.59 -0.33 0.00 0.00 177.00 174.62 2eak s PHE 99 N -2.10 -0.04 -0.32 6.54 -0.12 0.67 -4.92 117.98 117.70 2eak s PHE 99 Ca 0.72 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 57.55 2eak s PHE 99 Cb -0.27 0.02 0.07 0.00 -0.63 0.00 0.00 43.02 42.22 2eak s PHE 99 CO 0.44 -0.40 0.02 0.34 -0.05 0.00 0.00 175.22 175.57 2eak s ASP 100 N -1.72 4.84 -0.20 1.98 2.15 -1.26 -1.59 116.67 120.86 2eak s ASP 100 Ca -0.09 -1.57 -0.08 0.00 0.43 0.00 0.00 52.55 51.24 2eak s ASP 100 Cb -0.04 -1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 2eak s ASP 100 CO -0.00 -0.31 0.07 -0.22 -0.17 0.00 0.00 175.17 174.53 2eak s LEU 101 N 1.14 3.75 -0.07 -1.34 2.96 0.08 -0.71 118.68 124.49 2eak s LEU 101 Ca -0.01 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2eak s LEU 101 Cb -0.20 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2eak s LEU 101 CO -0.04 0.13 -0.14 0.00 -1.32 0.00 0.00 176.35 174.98 2eak s PHE 103 N 0.66 3.02 -0.19 0.00 0.08 0.05 -0.99 117.98 120.60 2eak s PHE 103 Ca -0.14 -0.59 -0.06 0.00 0.12 0.00 0.00 56.93 56.25 2eak s PHE 103 Cb -0.16 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2eak s PHE 103 CO 0.04 -0.35 0.03 -1.17 -0.10 0.00 0.00 175.22 173.67 2eak s LEU 104 N 1.23 3.47 -0.27 -0.37 2.96 -0.18 -0.15 118.68 125.37 2eak s LEU 104 Ca 0.03 -0.10 -0.23 0.00 -0.22 0.00 0.00 54.13 53.62 2eak s LEU 104 Cb -0.15 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 2eak s LEU 104 CO 0.01 0.10 0.77 -0.69 -1.32 0.00 0.00 176.35 175.22 2eak s VAL 105 N 0.77 4.85 0.42 1.68 1.01 -0.63 -1.32 120.40 127.18 2eak s VAL 105 Ca 0.02 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.37 2eak s VAL 105 Cb -0.14 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2eak s VAL 105 CO 0.02 -0.12 0.17 -1.10 0.00 0.00 0.00 175.10 174.07 2eak s GLN 106 N 2.81 2.20 0.30 2.72 -0.21 -0.18 -0.11 119.66 127.19 2eak s GLN 106 Ca 0.32 -1.87 -0.01 0.00 0.02 0.00 0.00 55.36 53.81 2eak s GLN 106 Cb -0.15 -1.95 0.48 0.00 1.00 0.00 0.00 33.01 32.39 2eak s GLN 106 CO 0.10 -0.12 1.96 0.77 -2.12 0.00 0.00 175.29 175.87 2eak h SER 107 N 1.44 0.92 0.26 5.90 0.02 -1.98 -3.18 113.55 116.95 2eak h SER 107 Ca -0.43 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2eak h SER 107 Cb 1.25 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2eak h SER 107 CO 0.71 0.65 -1.72 -1.20 -1.14 0.00 0.00 176.83 174.13 2eak n SER 108 N -4.43 0.24 -3.73 3.07 7.64 -1.26 -4.93 113.62 110.21 2eak n SER 108 Ca 0.10 0.07 -0.06 0.00 1.01 0.00 0.00 58.87 60.00 2eak n SER 108 Cb 0.08 1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 64.83 2eak n SER 108 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2eak s ASP 109 N -4.71 -0.25 -0.14 6.43 -4.77 -1.20 -1.86 116.67 110.16 2eak s ASP 109 Ca -0.06 -0.39 -0.17 0.00 -3.30 0.00 0.00 52.55 48.63 2eak s ASP 109 Cb 0.13 0.56 -0.04 0.00 -1.09 0.00 0.00 42.92 42.48 2eak s ASP 109 CO 0.88 -1.01 0.44 -0.36 0.70 0.00 0.00 175.17 175.81 2eak s PHE 110 N -3.50 3.48 -0.25 2.11 0.08 0.21 -1.01 117.98 119.09 2eak s PHE 110 Ca 0.10 0.80 -0.09 0.00 0.12 0.00 0.00 56.93 57.86 2eak s PHE 110 Cb -0.03 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 2eak s PHE 110 CO 0.01 0.14 0.13 0.21 -0.10 0.00 0.00 175.22 175.62 2eak s LYS 111 N 0.75 3.87 -0.22 0.44 2.20 -0.43 -0.37 119.74 125.97 2eak s LYS 111 Ca 0.23 -0.37 -0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2eak s LYS 111 Cb -0.15 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2eak s LYS 111 CO 0.09 -0.10 -0.02 0.08 -0.36 0.00 0.00 175.35 175.04 2eak s VAL 112 N 1.47 3.59 -0.07 4.02 1.01 0.40 -1.01 120.40 129.82 2eak s VAL 112 Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2eak s VAL 112 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2eak s VAL 112 CO 0.07 0.41 -0.07 -0.04 0.00 0.00 0.00 175.10 175.47 2eak s MET 113 N 1.46 2.79 -0.12 2.72 -1.94 -0.16 0.30 119.30 124.35 2eak s MET 113 Ca 0.05 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2eak s MET 113 Cb -0.14 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.11 2eak s MET 113 CO -0.01 0.64 -0.15 0.08 -0.01 0.00 0.00 175.02 175.57 2eak s VAL 114 N -0.75 1.50 -1.37 -6.03 1.01 -0.23 -0.14 120.40 114.38 2eak s VAL 114 Ca 0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2eak s VAL 114 Cb -0.11 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2eak s VAL 114 CO 0.02 0.44 0.44 0.59 0.00 0.00 0.00 175.10 176.59 2eak n ASN 115 N 4.31 -4.71 0.00 3.32 3.02 0.11 -1.56 115.26 119.76 2eak n ASN 115 Ca -0.19 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2eak n ASN 115 Cb 0.51 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 2eak n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eak n GLY 116 N -1.24 0.73 3.17 7.41 0.00 -1.26 -5.03 105.19 108.96 2eak n GLY 116 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2eak n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eak s ILE 117 N -2.60 2.03 -0.14 -0.61 -1.09 -0.60 -5.08 121.20 113.12 2eak s ILE 117 Ca 0.00 -0.97 -0.39 0.00 -2.23 0.00 0.00 60.65 57.06 2eak s ILE 117 Cb 0.00 -1.79 -0.16 0.00 -1.58 0.00 0.00 42.46 38.92 2eak s ILE 117 CO 0.00 0.55 1.56 -0.11 -1.23 0.00 0.00 174.94 175.71 2eak n LEU 118 N 4.02 2.00 -0.04 2.97 7.94 -1.26 -1.06 117.00 131.55 2eak n LEU 118 Ca -0.20 1.10 -0.09 0.00 -1.11 0.00 0.00 56.01 55.71 2eak n LEU 118 Cb 0.52 -1.15 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 2eak n LEU 118 CO 0.27 -0.72 -0.58 0.33 -1.11 0.00 0.00 177.39 175.58 2eak n PHE 119 N 4.12 0.00 -3.77 1.96 7.35 0.15 -4.87 117.46 122.39 2eak n PHE 119 Ca 0.23 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.81 2eak n PHE 119 Cb 0.15 -0.36 -0.08 0.00 0.35 0.00 0.00 39.48 39.54 2eak n PHE 119 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2eak s VAL 120 N -2.44 0.08 -0.05 -2.13 0.11 -1.06 -5.02 120.40 109.88 2eak s VAL 120 Ca -0.18 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 2eak s VAL 120 Cb 0.04 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2eak s VAL 120 CO 0.25 -0.37 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.43 2eak s GLN 121 N -2.33 2.56 -0.23 1.54 -0.21 -1.26 -0.45 119.66 119.28 2eak s GLN 121 Ca -0.07 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.65 2eak s GLN 121 Cb -0.02 -2.44 0.06 0.00 1.00 0.00 0.00 33.01 31.61 2eak s GLN 121 CO -0.02 0.63 -0.03 -0.47 -2.12 0.00 0.00 175.29 173.29 2eak s TYR 122 N -0.78 2.13 0.19 0.91 5.04 0.50 -4.95 117.35 120.38 2eak s TYR 122 Ca 0.12 -1.61 -0.30 0.00 -2.44 0.00 0.00 57.07 52.84 2eak s TYR 122 Cb -0.11 -1.51 -0.09 0.00 0.35 0.00 0.00 41.96 40.60 2eak s TYR 122 CO 0.01 -0.75 1.36 -0.06 -1.34 0.00 0.00 175.55 174.78 2eak s PHE 123 N 1.48 3.20 0.11 4.97 0.08 -1.26 -0.62 117.98 125.94 2eak s PHE 123 Ca -0.04 1.09 -0.33 0.00 0.12 0.00 0.00 56.93 57.78 2eak s PHE 123 Cb -0.18 -3.68 -0.12 0.00 -0.57 0.00 0.00 43.02 38.46 2eak s PHE 123 CO -0.07 -2.22 1.72 0.72 -0.10 0.00 0.00 175.22 175.27 2eak n HIS 124 N 2.95 2.43 -0.06 0.36 8.25 -0.78 -4.88 115.22 123.50 2eak n HIS 124 Ca 0.08 0.08 -0.02 0.00 -0.26 0.00 0.00 57.72 57.61 2eak n HIS 124 Cb 0.42 -2.63 -0.15 0.00 1.12 0.00 0.00 29.99 28.75 2eak n HIS 124 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eak n ARG 125 N 4.66 0.88 -4.30 -0.41 1.74 -1.26 -4.98 116.66 112.98 2eak n ARG 125 Ca 0.18 -0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 57.03 2eak n ARG 125 Cb 0.32 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 2eak n ARG 125 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2eak s VAL 126 N -2.79 1.18 0.16 1.55 -7.23 -1.26 -5.11 120.40 106.90 2eak s VAL 126 Ca -0.08 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 57.71 2eak s VAL 126 Cb 0.08 -2.10 -0.11 0.00 0.56 0.00 0.00 36.38 34.81 2eak s VAL 126 CO 0.77 -0.53 1.72 -2.84 -0.31 0.00 0.00 175.10 173.90 2eak s PRO 127 N -3.79 4.15 0.50 4.82 0.02 -1.26 -4.88 135.00 134.57 2eak s PRO 127 Ca 0.23 2.53 0.29 0.00 0.02 0.00 0.00 61.00 64.07 2eak s PRO 127 Cb 0.04 -3.32 1.01 0.00 0.02 0.00 0.00 34.50 32.25 2eak s PRO 127 CO 0.05 -0.75 1.85 0.27 -0.33 0.00 0.00 177.00 178.09 2eak h PHE 128 N 7.56 0.00 0.00 6.54 -5.15 -1.97 -3.14 116.94 120.77 2eak h PHE 128 Ca -0.44 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.30 2eak h PHE 128 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.37 2eak h PHE 128 CO 0.71 0.03 -0.15 1.12 -2.00 0.00 0.00 178.31 178.02 2eak h HIS 129 N 0.00 0.00 0.00 6.09 2.07 -1.90 -2.03 115.15 119.38 2eak h HIS 129 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2eak h HIS 129 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 2eak h HIS 129 CO 0.00 0.15 0.00 0.54 -3.07 0.00 0.00 177.93 175.55 2eak n ARG 130 N -3.27 0.07 -2.50 5.12 1.74 -1.19 -4.27 116.66 112.36 2eak n ARG 130 Ca 0.01 0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.79 2eak n ARG 130 Cb 0.40 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 2eak n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2eak s VAL 131 N -2.91 4.39 0.00 1.55 1.01 -0.76 -4.48 120.40 119.20 2eak s VAL 131 Ca 0.12 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2eak s VAL 131 Cb 0.14 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2eak s VAL 131 CO 0.37 -0.10 0.63 -0.90 0.00 0.00 0.00 175.10 175.11 2eak n ASP 132 N 6.04 1.18 -3.77 3.32 5.68 -0.87 -1.73 116.55 126.39 2eak n ASP 132 Ca 0.12 -1.36 -0.13 0.00 -0.50 0.00 0.00 54.79 52.92 2eak n ASP 132 Cb 0.46 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.32 2eak n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2eak s THR 133 N -0.36 -0.00 -0.08 2.12 2.01 -0.97 -0.83 115.64 117.52 2eak s THR 133 Ca 0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2eak s THR 133 Cb 0.00 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 2eak s THR 133 CO 0.00 0.00 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.23 2eak s ILE 134 N 0.23 2.57 0.06 1.82 2.07 0.28 -1.22 121.20 127.01 2eak s ILE 134 Ca -0.01 -0.87 0.05 0.00 -1.41 0.00 0.00 60.65 58.42 2eak s ILE 134 Cb -0.03 -2.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.54 2eak s ILE 134 CO -0.00 0.56 -0.14 -0.94 -1.91 0.00 0.00 174.94 172.50 2eak s SER 135 N -0.08 1.72 -0.03 4.50 1.04 -0.38 -1.19 113.70 119.28 2eak s SER 135 Ca -0.04 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.87 2eak s SER 135 Cb -0.14 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2eak s SER 135 CO 0.04 -0.01 -0.08 -0.69 0.98 0.00 0.00 173.24 173.48 2eak s VAL 136 N -1.05 0.72 0.25 5.02 1.01 -0.48 -0.08 120.40 125.79 2eak s VAL 136 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 2eak s VAL 136 Cb -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2eak s VAL 136 CO 0.02 0.23 0.33 0.54 0.00 0.00 0.00 175.10 176.22 2eak s ASN 137 N 0.25 0.25 0.00 3.32 2.20 -0.72 -0.64 114.94 119.60 2eak s ASN 137 Ca -0.04 -1.24 0.00 0.00 -0.94 0.00 0.00 52.86 50.64 2eak s ASN 137 Cb -0.09 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.68 2eak s ASN 137 CO 0.00 -1.04 0.00 0.61 -2.94 0.00 0.00 177.10 173.73 2eak n GLY 138 N -0.38 -0.68 2.72 0.45 0.00 -1.26 -0.87 105.19 105.17 2eak n GLY 138 Ca 0.01 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2eak n GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eak n SER 139 N 0.23 6.03 -3.72 1.61 7.64 0.53 -4.85 113.62 121.08 2eak n SER 139 Ca 0.00 -3.08 -0.14 0.00 1.01 0.00 0.00 58.87 56.67 2eak n SER 139 Cb 0.00 -1.46 -0.09 0.00 -1.01 0.00 0.00 64.21 61.65 2eak n SER 139 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2eak s VAL 140 N 0.21 0.03 0.13 0.44 0.11 -1.26 -1.64 120.40 118.42 2eak s VAL 140 Ca 0.46 -0.29 0.10 0.00 -2.93 0.00 0.00 61.98 59.31 2eak s VAL 140 Cb 0.13 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2eak s VAL 140 CO -0.03 -0.16 -0.21 0.00 -3.33 0.00 0.00 175.10 171.37 2eak s GLN 141 N -0.89 1.67 -0.10 1.54 -2.07 -0.14 -4.81 119.66 114.86 2eak s GLN 141 Ca -0.10 -1.27 0.03 0.00 -1.82 0.00 0.00 55.36 52.20 2eak s GLN 141 Cb -0.04 -2.03 -0.01 0.00 -1.09 0.00 0.00 33.01 29.84 2eak s GLN 141 CO 0.04 0.46 -0.20 -0.51 -1.32 0.00 0.00 175.29 173.75 2eak s LEU 142 N -2.23 2.31 -0.16 2.60 1.43 -1.26 -0.70 118.68 120.68 2eak s LEU 142 Ca 0.18 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 2eak s LEU 142 Cb -0.10 -1.47 -0.23 0.00 0.03 0.00 0.00 46.19 44.42 2eak s LEU 142 CO 0.09 0.19 0.40 0.28 0.23 0.00 0.00 176.35 177.54 2eak h SER 143 N 6.50 0.18 -4.94 2.29 0.02 -0.77 -3.34 113.55 113.49 2eak h SER 143 Ca -0.25 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 59.96 2eak h SER 143 Cb 1.21 -0.06 -0.14 0.00 0.14 0.00 0.00 62.40 63.55 2eak h SER 143 CO 0.50 1.54 0.24 -0.72 -1.14 0.00 0.00 176.83 177.25 2eak s TYR 144 N -2.42 -0.54 -0.12 3.45 -0.85 -0.81 0.21 117.35 116.27 2eak s TYR 144 Ca -0.24 0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.84 2eak s TYR 144 Cb 0.05 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.92 2eak s TYR 144 CO 0.68 -0.75 -0.18 0.42 -1.52 0.00 0.00 175.55 174.20 2eak s ILE 145 N -3.04 1.75 0.26 -3.49 1.01 -0.44 -0.76 121.20 116.49 2eak s ILE 145 Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2eak s ILE 145 Cb -0.01 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2eak s ILE 145 CO -0.07 0.49 0.10 -0.94 0.00 0.00 0.00 174.94 174.52 2eak s SER 146 N 0.93 1.18 -0.04 3.58 1.04 -0.33 0.25 113.70 120.31 2eak s SER 146 Ca -0.06 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2eak s SER 146 Cb -0.15 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.16 2eak s SER 146 CO -0.02 -0.73 -0.01 -0.36 0.98 0.00 0.00 173.24 173.10 2eak s PHE 147 N -3.76 0.44 0.00 5.02 0.08 -1.26 -0.53 117.98 117.98 2eak s PHE 147 Ca 0.38 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.37 2eak s PHE 147 Cb 0.08 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 42.01 2eak s PHE 147 CO 0.14 -0.17 0.48 0.94 -0.10 0.00 0.00 175.22 176.51