#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eec s SER 2 N 0.00 -0.44 1.31 1.61 1.04 -1.26 -5.17 113.70 110.78 2eec s SER 2 Ca 0.00 0.71 -0.19 0.00 0.48 0.00 0.00 55.95 56.95 2eec s SER 2 Cb 0.00 1.17 0.31 0.00 0.10 0.00 0.00 66.02 67.60 2eec s SER 2 CO 0.00 -0.11 0.76 -0.24 0.98 0.00 0.00 173.24 174.63 2eec n SER 3 N 3.58 -3.21 -4.07 7.02 2.88 -1.26 -4.79 113.62 113.76 2eec n SER 3 Ca -0.18 -0.55 -0.41 0.00 -1.33 0.00 0.00 58.87 56.40 2eec n SER 3 Cb 0.57 -1.04 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 2eec n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eec n GLY 4 N 1.75 3.14 2.86 0.46 0.00 -1.26 -4.82 105.19 107.31 2eec n GLY 4 Ca 0.08 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 2eec n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eec s SER 5 N 4.21 0.88 0.94 1.61 0.15 -1.26 -5.15 113.70 115.08 2eec s SER 5 Ca 0.53 0.15 -0.11 0.00 0.70 0.00 0.00 55.95 57.23 2eec s SER 5 Cb 0.09 0.51 0.12 0.00 -1.71 0.00 0.00 66.02 65.04 2eec s SER 5 CO 0.02 -0.28 0.94 -1.20 1.20 0.00 0.00 173.24 173.92 2eec n SER 6 N 5.33 -0.38 0.05 5.45 7.64 -1.26 -4.95 113.62 125.51 2eec n SER 6 Ca -0.05 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2eec n SER 6 Cb 0.50 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2eec n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eec n GLY 7 N 0.63 -1.45 3.59 0.23 0.00 -1.26 -5.12 105.19 101.81 2eec n GLY 7 Ca 0.10 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 2eec n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2eec n PHE 8 N -2.74 1.13 -3.30 1.61 -1.74 -1.26 -4.94 117.46 106.21 2eec n PHE 8 Ca 0.00 0.62 -0.39 0.00 -0.56 0.00 0.00 57.45 57.12 2eec n PHE 8 Cb 0.00 -2.23 -0.08 0.00 1.52 0.00 0.00 39.48 38.70 2eec n PHE 8 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2eec s LYS 9 N -1.77 4.11 -0.12 3.97 2.47 -1.26 -5.06 119.74 122.08 2eec s LYS 9 Ca 0.61 0.26 -0.18 0.00 -1.56 0.00 0.00 55.97 55.10 2eec s LYS 9 Cb -0.62 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.10 2eec s LYS 9 CO 0.59 -0.22 0.46 0.08 0.16 0.00 0.00 175.35 176.42 2eec s VAL 10 N 1.89 5.19 0.33 4.02 1.01 -1.26 -5.06 120.40 126.52 2eec s VAL 10 Ca 0.20 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 62.84 2eec s VAL 10 Cb -0.15 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2eec s VAL 10 CO 0.09 0.34 0.97 -0.60 0.00 0.00 0.00 175.10 175.90 2eec s ARG 11 N 0.57 4.51 -1.09 2.72 3.52 -1.26 -4.95 118.95 122.97 2eec s ARG 11 Ca 0.25 1.39 -0.22 0.00 -0.13 0.00 0.00 55.73 57.02 2eec s ARG 11 Cb -0.15 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2eec s ARG 11 CO 0.10 0.20 1.73 0.08 -0.81 0.00 0.00 175.30 176.60 2eec s VAL 12 N -1.60 3.78 1.05 7.11 1.01 -1.26 -4.97 120.40 125.52 2eec s VAL 12 Ca 0.51 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 2eec s VAL 12 Cb -0.20 -4.74 0.22 0.00 0.00 0.00 0.00 36.38 31.66 2eec s VAL 12 CO 0.25 -1.54 1.09 -0.83 0.00 0.00 0.00 175.10 174.08 2eec s GLY 13 N 5.84 1.62 0.56 4.51 0.00 -1.26 -4.99 107.32 113.61 2eec s GLY 13 Ca 0.58 0.26 -0.16 0.00 0.00 0.00 0.00 44.72 45.40 2eec s GLY 13 CO 0.01 0.83 1.02 -0.54 0.00 0.00 0.00 173.10 174.42 2eec s GLU 14 N -4.53 3.61 -0.01 2.90 0.41 -1.26 -5.00 118.70 114.82 2eec s GLU 14 Ca 0.68 1.05 -0.25 0.00 -0.41 0.00 0.00 54.97 56.04 2eec s GLU 14 Cb -0.24 -2.08 -0.19 0.00 -1.78 0.00 0.00 34.13 29.84 2eec s GLU 14 CO 0.62 -0.56 1.28 -1.00 -0.49 0.00 0.00 175.26 175.11 2eec h PRO 15 N 0.56 0.08 0.00 0.39 0.13 -2.05 -3.49 132.00 127.62 2eec h PRO 15 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2eec h PRO 15 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2eec h PRO 15 CO 0.60 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 2eec n GLY 16 N 0.22 0.09 3.91 1.56 0.00 -1.26 -5.16 105.19 104.55 2eec n GLY 16 Ca -0.08 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 2eec n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2eec s GLN 17 N -2.00 2.78 -0.07 1.61 -2.07 -1.26 -5.13 119.66 113.52 2eec s GLN 17 Ca 0.00 -1.28 -0.00 0.00 -1.82 0.00 0.00 55.36 52.26 2eec s GLN 17 Cb 0.00 -2.56 0.03 0.00 -1.09 0.00 0.00 33.01 29.38 2eec s GLN 17 CO 0.00 -0.02 -0.03 0.00 -1.32 0.00 0.00 175.29 173.92 2eec s ALA 18 N -2.32 0.82 -0.43 2.60 0.00 -1.26 -5.09 121.76 116.09 2eec s ALA 18 Ca 0.45 -0.19 -0.40 0.00 0.00 0.00 0.00 51.96 51.83 2eec s ALA 18 Cb -0.07 -0.68 -0.17 0.00 0.00 0.00 0.00 23.12 22.21 2eec s ALA 18 CO 0.29 -0.31 1.47 0.41 0.00 0.00 0.00 175.76 177.62 2eec n GLY 19 N 4.76 0.10 2.90 0.00 0.00 -1.26 -4.92 105.19 106.76 2eec n GLY 19 Ca -0.14 0.88 -0.15 0.00 0.00 0.00 0.00 46.02 46.62 2eec n GLY 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2eec s ASN 20 N 3.12 0.37 0.33 1.61 2.47 -1.26 -5.03 114.94 116.55 2eec s ASN 20 Ca 0.92 0.37 0.12 0.00 0.42 0.00 0.00 52.86 54.69 2eec s ASN 20 Cb -1.28 0.31 0.56 0.00 -1.45 0.00 0.00 41.25 39.39 2eec s ASN 20 CO 0.67 -0.21 1.73 1.55 -3.72 0.00 0.00 177.10 177.12 2eec h PRO 21 N 7.94 0.00 -0.54 0.43 0.13 -1.91 -3.02 132.00 135.03 2eec h PRO 21 Ca -0.24 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.96 2eec h PRO 21 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2eec h PRO 21 CO 0.24 0.48 0.36 0.00 -0.23 0.00 0.00 178.00 178.85 2eec h ALA 22 N 1.52 1.90 -0.15 -0.56 0.00 -1.95 -0.54 119.26 119.48 2eec h ALA 22 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2eec h ALA 22 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2eec h ALA 22 CO 0.06 0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 179.20 2eec h LEU 23 N 0.47 0.20 -9.48 0.00 3.38 -1.93 -3.42 115.31 104.53 2eec h LEU 23 Ca 0.24 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.65 2eec h LEU 23 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2eec h LEU 23 CO -0.07 0.28 0.56 -0.69 0.09 0.00 0.00 178.44 178.62 2eec s VAL 24 N -4.91 4.05 0.22 1.22 1.01 -0.21 -4.69 120.40 117.08 2eec s VAL 24 Ca -0.06 1.47 0.10 0.00 0.00 0.00 0.00 61.98 63.50 2eec s VAL 24 Cb 0.16 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2eec s VAL 24 CO 0.72 0.11 -0.20 -0.44 0.00 0.00 0.00 175.10 175.29 2eec s SER 25 N 1.07 3.19 -0.02 3.32 0.01 -0.28 -4.51 113.70 116.48 2eec s SER 25 Ca 0.59 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2eec s SER 25 Cb -0.29 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.74 2eec s SER 25 CO 0.29 0.02 0.02 0.00 0.41 0.00 0.00 173.24 173.97 2eec s ALA 26 N -2.22 0.19 0.11 1.44 0.00 -1.26 0.33 121.76 120.34 2eec s ALA 26 Ca 0.23 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 2eec s ALA 26 Cb -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2eec s ALA 26 CO 0.10 -0.10 0.33 1.52 0.00 0.00 0.00 175.76 177.61 2eec s TYR 27 N 1.07 -0.08 -3.45 0.00 1.13 -1.13 -5.03 117.35 109.85 2eec s TYR 27 Ca -0.09 -0.27 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 2eec s TYR 27 Cb -0.13 0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 2eec s TYR 27 CO -0.02 -0.65 0.00 0.41 -2.51 0.00 0.00 175.55 172.78 2eec n GLY 28 N -0.16 -0.55 0.01 5.49 0.00 -1.26 -1.91 105.19 106.80 2eec n GLY 28 Ca -0.16 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.27 2eec n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2eec n THR 29 N 6.21 0.03 0.11 2.61 -1.04 -1.09 -4.50 114.28 116.61 2eec n THR 29 Ca 0.00 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 61.80 2eec n THR 29 Cb 0.00 0.24 0.23 0.00 -1.82 0.00 0.00 70.33 68.98 2eec n THR 29 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2eec h GLY 30 N 1.49 0.22 1.89 3.41 0.00 -1.85 -2.97 103.07 105.26 2eec h GLY 30 Ca -0.01 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 2eec h GLY 30 CO 0.00 0.19 -0.81 1.41 0.00 0.00 0.00 176.54 177.34 2eec h LEU 31 N 0.17 0.13 -1.80 3.11 3.38 -1.92 -3.18 115.31 115.20 2eec h LEU 31 Ca 0.01 -0.10 0.31 0.00 0.09 0.00 0.00 57.88 58.19 2eec h LEU 31 Cb 0.83 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2eec h LEU 31 CO 0.06 0.88 0.77 -0.33 0.09 0.00 0.00 178.44 179.91 2eec h GLU 32 N 0.06 0.12 0.00 1.13 4.39 -1.75 -3.46 114.58 115.07 2eec h GLU 32 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2eec h GLU 32 Cb 1.41 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2eec h GLU 32 CO 0.11 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 2eec n GLY 33 N -1.67 -1.92 3.29 -3.84 0.00 -1.20 -4.97 105.19 94.89 2eec n GLY 33 Ca 0.25 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2eec n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eec s GLY 34 N 0.00 1.98 -0.47 -0.02 0.00 0.23 -4.73 107.32 104.31 2eec s GLY 34 Ca 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 44.72 42.44 2eec s GLY 34 CO 0.00 0.98 0.39 -1.59 0.00 0.00 0.00 173.10 172.87 2eec s THR 35 N 1.46 5.24 -0.47 0.90 2.01 -1.26 -2.24 115.64 121.28 2eec s THR 35 Ca 0.03 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 2eec s THR 35 Cb -0.23 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.18 2eec s THR 35 CO 0.03 -0.55 1.44 -0.89 -0.69 0.00 0.00 174.62 173.96 2eec s THR 36 N 1.65 3.83 0.00 -0.82 2.01 -1.23 -2.85 115.64 118.22 2eec s THR 36 Ca 0.04 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2eec s THR 36 Cb -0.24 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.02 2eec s THR 36 CO 0.07 -0.89 0.00 0.61 -0.69 0.00 0.00 174.62 173.72 2eec n GLY 37 N 5.18 1.38 3.68 4.40 0.00 -1.20 -4.96 105.19 113.67 2eec n GLY 37 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2eec n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eec s ILE 38 N -1.37 3.91 -0.23 -0.61 1.01 -1.13 -5.08 121.20 117.69 2eec s ILE 38 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 2eec s ILE 38 Cb 0.00 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 2eec s ILE 38 CO 0.00 0.07 0.18 -1.58 0.00 0.00 0.00 174.94 173.61 2eec s GLN 39 N -2.44 4.11 0.31 2.79 0.74 -1.26 -4.63 119.66 119.26 2eec s GLN 39 Ca 0.26 -0.20 0.08 0.00 0.05 0.00 0.00 55.36 55.54 2eec s GLN 39 Cb -0.11 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 2eec s GLN 39 CO 0.18 0.09 0.16 -1.12 -0.55 0.00 0.00 175.29 174.06 2eec s SER 40 N 0.93 4.98 -0.10 6.67 0.01 -1.23 -5.01 113.70 119.95 2eec s SER 40 Ca 0.09 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 2eec s SER 40 Cb -0.13 -0.95 0.03 0.00 0.21 0.00 0.00 66.02 65.18 2eec s SER 40 CO 0.04 -0.20 0.25 -1.83 0.41 0.00 0.00 173.24 171.90 2eec s GLU 41 N -3.85 0.27 -0.07 12.44 1.03 -1.26 -3.32 118.70 123.94 2eec s GLU 41 Ca 0.36 0.40 -0.01 0.00 0.03 0.00 0.00 54.97 55.75 2eec s GLU 41 Cb -0.05 0.07 0.03 0.00 -0.80 0.00 0.00 34.13 33.38 2eec s GLU 41 CO 0.24 -0.07 -0.01 -0.59 -1.33 0.00 0.00 175.26 173.50 2eec s PHE 42 N 0.43 0.73 0.10 4.83 -0.12 -1.19 -2.68 117.98 120.07 2eec s PHE 42 Ca -0.02 -0.21 -0.23 0.00 -0.05 0.00 0.00 56.93 56.42 2eec s PHE 42 Cb -0.04 -0.80 -0.07 0.00 -0.63 0.00 0.00 43.02 41.48 2eec s PHE 42 CO -0.02 -0.32 0.69 -0.06 -0.05 0.00 0.00 175.22 175.46 2eec s PHE 43 N 1.78 3.82 -0.33 3.49 0.08 -0.80 -3.63 117.98 122.39 2eec s PHE 43 Ca 0.02 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.40 2eec s PHE 43 Cb -0.13 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.64 2eec s PHE 43 CO -0.05 0.48 0.21 0.42 -0.10 0.00 0.00 175.22 176.18 2eec s ILE 44 N -0.82 5.01 -0.38 0.64 1.01 -1.16 -2.85 121.20 122.64 2eec s ILE 44 Ca 0.34 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 2eec s ILE 44 Cb -0.21 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.71 2eec s ILE 44 CO 0.22 0.01 1.13 0.21 0.00 0.00 0.00 174.94 176.51 2eec s ASN 45 N 1.68 6.77 -0.06 3.58 3.84 0.15 -3.66 114.94 127.24 2eec s ASN 45 Ca 0.05 0.83 0.20 0.00 0.21 0.00 0.00 52.86 54.16 2eec s ASN 45 Cb -0.17 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.38 2eec s ASN 45 CO 0.09 -1.06 1.17 1.07 -2.79 0.00 0.00 177.10 175.58 2eec n THR 46 N 6.32 0.62 1.11 -5.21 5.66 -1.26 -1.13 114.28 120.39 2eec n THR 46 Ca 0.12 -1.56 0.14 0.00 -3.05 0.00 0.00 64.05 59.70 2eec n THR 46 Cb 0.48 0.62 0.59 0.00 -1.55 0.00 0.00 70.33 70.47 2eec n THR 46 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2eec n THR 47 N 0.00 0.00 -0.09 1.09 -2.24 -1.26 -1.95 114.28 109.83 2eec n THR 47 Ca 0.09 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 2eec n THR 47 Cb 0.99 -0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 2eec n THR 47 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2eec n ARG 48 N -1.42 0.90 -0.07 -0.78 5.12 -1.26 -4.60 116.66 114.56 2eec n ARG 48 Ca 0.09 -0.01 -0.19 0.00 -1.93 0.00 0.00 57.85 55.80 2eec n ARG 48 Cb 0.32 -1.49 -0.13 0.00 -1.16 0.00 0.00 32.46 30.01 2eec n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2eec h ALA 49 N 0.95 0.16 0.00 7.54 0.00 -1.83 -3.49 119.26 122.58 2eec h ALA 49 Ca -0.51 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.45 2eec h ALA 49 Cb 2.15 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.38 2eec h ALA 49 CO 0.03 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2eec n GLY 50 N 1.56 4.26 3.57 0.00 0.00 -0.82 -4.79 105.19 108.97 2eec n GLY 50 Ca -0.23 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 2eec n GLY 50 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eec s PRO 51 N -4.25 2.89 0.00 1.61 0.04 -1.26 -4.90 135.00 129.14 2eec s PRO 51 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2eec s PRO 51 Cb 0.00 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2eec s PRO 51 CO 0.00 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.05 2eec n GLY 52 N 5.57 6.79 3.77 0.56 0.00 -1.26 -5.05 105.19 115.58 2eec n GLY 52 Ca 0.21 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2eec n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eec s THR 53 N 1.25 3.18 -0.42 2.61 2.01 -1.26 -4.79 115.64 118.22 2eec s THR 53 Ca 0.00 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 62.71 2eec s THR 53 Cb 0.00 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2eec s THR 53 CO 0.00 0.02 0.67 -0.22 -0.69 0.00 0.00 174.62 174.40 2eec s LEU 54 N -2.84 4.39 -0.14 4.42 0.20 -1.26 -3.46 118.68 119.99 2eec s LEU 54 Ca 0.61 -0.18 -0.00 0.00 0.69 0.00 0.00 54.13 55.25 2eec s LEU 54 Cb -0.28 -2.80 0.03 0.00 -0.43 0.00 0.00 46.19 42.71 2eec s LEU 54 CO 0.35 -0.77 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.03 2eec s SER 55 N 1.99 2.51 -0.03 3.68 0.15 -1.26 -5.10 113.70 115.64 2eec s SER 55 Ca 0.25 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 2eec s SER 55 Cb -0.14 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.32 2eec s SER 55 CO 0.19 -0.15 0.06 0.54 1.20 0.00 0.00 173.24 175.07 2eec s VAL 56 N 1.67 -0.03 -0.10 4.45 0.11 -1.26 -4.08 120.40 121.17 2eec s VAL 56 Ca 0.03 0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2eec s VAL 56 Cb -0.14 -0.10 0.03 0.00 -1.53 0.00 0.00 36.38 34.64 2eec s VAL 56 CO -0.08 0.04 0.31 -0.89 -3.33 0.00 0.00 175.10 171.15 2eec s THR 57 N 0.57 0.01 -0.01 5.04 2.01 -1.25 -5.05 115.64 116.96 2eec s THR 57 Ca -0.05 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.90 2eec s THR 57 Cb -0.06 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 2eec s THR 57 CO -0.02 -0.05 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.09 2eec s ILE 58 N -0.11 1.10 0.16 1.82 1.01 -1.26 -1.03 121.20 122.90 2eec s ILE 58 Ca -0.03 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.12 2eec s ILE 58 Cb -0.03 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2eec s ILE 58 CO 0.01 0.31 -0.15 -0.70 0.00 0.00 0.00 174.94 174.41 2eec s GLU 59 N -0.31 1.87 0.00 2.79 2.56 0.59 -4.94 118.70 121.26 2eec s GLU 59 Ca 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 54.97 53.72 2eec s GLU 59 Cb -0.06 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 33.99 2eec s GLU 59 CO -0.00 0.44 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 2eec n GLY 60 N 0.31 -0.17 0.24 -1.50 0.00 -1.26 -0.53 105.19 102.28 2eec n GLY 60 Ca -0.12 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.00 2eec n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eec h PRO 61 N 0.00 0.00 -3.30 1.61 0.13 -1.90 -3.40 132.00 125.14 2eec h PRO 61 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2eec h PRO 61 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 2eec h PRO 61 CO 0.00 0.17 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.06 2eec s SER 62 N -6.10 3.28 0.90 1.44 0.01 -1.26 -5.11 113.70 106.86 2eec s SER 62 Ca -0.00 -1.12 -0.16 0.00 1.31 0.00 0.00 55.95 55.98 2eec s SER 62 Cb 0.11 -0.56 -0.11 0.00 0.21 0.00 0.00 66.02 65.66 2eec s SER 62 CO 0.61 -0.37 -0.43 0.29 0.41 0.00 0.00 173.24 173.75 2eec n LYS 63 N 5.08 -0.02 -4.03 12.44 4.76 -1.26 -4.80 118.16 130.32 2eec n LYS 63 Ca -0.06 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.27 2eec n LYS 63 Cb 0.45 -1.19 -0.11 0.00 -1.84 0.00 0.00 35.03 32.34 2eec n LYS 63 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2eec s VAL 64 N -2.05 0.33 -0.58 -0.18 -7.23 -1.26 -4.85 120.40 104.58 2eec s VAL 64 Ca 0.47 -1.09 -0.20 0.00 -1.81 0.00 0.00 61.98 59.35 2eec s VAL 64 Cb -0.24 -0.56 0.08 0.00 0.56 0.00 0.00 36.38 36.22 2eec s VAL 64 CO 0.76 -0.50 0.74 -1.59 -0.31 0.00 0.00 175.10 174.20 2eec s LYS 65 N -1.79 3.09 0.59 4.82 -2.85 -1.26 -5.03 119.74 117.31 2eec s LYS 65 Ca -0.11 -1.08 -0.08 0.00 -1.00 0.00 0.00 55.97 53.71 2eec s LYS 65 Cb -0.08 -4.21 -0.01 0.00 -2.06 0.00 0.00 37.83 31.47 2eec s LYS 65 CO -0.01 -1.50 0.93 -1.64 0.10 0.00 0.00 175.35 173.23 2eec s MET 66 N 2.96 3.21 -0.34 1.78 -1.94 -1.26 -4.64 119.30 119.07 2eec s MET 66 Ca 0.15 0.28 0.03 0.00 -1.71 0.00 0.00 55.69 54.44 2eec s MET 66 Cb -0.21 -2.22 0.10 0.00 2.01 0.00 0.00 34.83 34.51 2eec s MET 66 CO 0.09 -0.60 0.05 -0.51 -0.01 0.00 0.00 175.02 174.04 2eec s ASP 67 N -4.24 4.80 -0.03 3.03 1.11 -1.08 -4.97 116.67 115.29 2eec s ASP 67 Ca 0.53 -2.06 -0.30 0.00 0.18 0.00 0.00 52.55 50.90 2eec s ASP 67 Cb -0.11 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.21 2eec s ASP 67 CO 0.48 -0.38 1.08 0.00 1.18 0.00 0.00 175.17 177.53 2eec s GLN 69 N 1.58 0.49 0.46 0.00 0.74 -1.26 -5.13 119.66 116.53 2eec s GLN 69 Ca 0.53 1.23 -0.24 0.00 0.05 0.00 0.00 55.36 56.93 2eec s GLN 69 Cb -0.23 0.60 -0.07 0.00 1.10 0.00 0.00 33.01 34.42 2eec s GLN 69 CO 0.24 -0.28 1.24 -1.83 -0.55 0.00 0.00 175.29 174.10 2eec s GLU 70 N 2.79 3.71 0.09 1.67 1.03 -1.26 -3.77 118.70 122.96 2eec s GLU 70 Ca -0.01 1.96 0.03 0.00 0.03 0.00 0.00 54.97 56.98 2eec s GLU 70 Cb -0.13 -2.48 -0.04 0.00 -0.80 0.00 0.00 34.13 30.69 2eec s GLU 70 CO -0.17 -0.65 -0.09 0.95 -1.33 0.00 0.00 175.26 173.98 2eec s THR 71 N -1.42 0.81 -1.24 1.83 -4.23 -1.17 -4.95 115.64 105.28 2eec s THR 71 Ca 0.63 -1.63 0.15 0.00 -1.18 0.00 0.00 61.69 59.65 2eec s THR 71 Cb -0.33 -1.33 0.20 0.00 1.34 0.00 0.00 72.50 72.37 2eec s THR 71 CO 0.41 -0.62 1.43 -0.81 -0.54 0.00 0.00 174.62 174.49 2eec n PRO 72 N 0.53 0.12 -0.09 3.99 -0.04 -1.26 -2.89 135.00 135.35 2eec n PRO 72 Ca -0.16 0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 2eec n PRO 72 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2eec n PRO 72 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2eec n GLU 73 N -1.38 0.74 0.00 0.54 2.13 -1.26 -5.10 120.64 116.31 2eec n GLU 73 Ca 0.05 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2eec n GLU 73 Cb 0.14 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2eec n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2eec n GLY 74 N 2.42 -0.94 2.77 8.31 0.00 -1.14 -4.11 105.19 112.49 2eec n GLY 74 Ca -0.33 0.69 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 2eec n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2eec s TYR 75 N 0.00 -0.35 -0.25 1.61 2.02 -1.24 -3.03 117.35 116.11 2eec s TYR 75 Ca 0.00 0.26 -0.15 0.00 -0.37 0.00 0.00 57.07 56.80 2eec s TYR 75 Cb 0.00 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.20 2eec s TYR 75 CO 0.00 -0.64 0.40 0.21 -1.57 0.00 0.00 175.55 173.95 2eec s LYS 76 N 2.35 4.06 0.05 -0.62 2.20 -1.25 -2.98 119.74 123.55 2eec s LYS 76 Ca 0.08 0.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.88 2eec s LYS 76 Cb -0.16 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2eec s LYS 76 CO -0.14 -0.23 -0.20 0.08 -0.36 0.00 0.00 175.35 174.50 2eec s VAL 77 N 1.91 2.62 -0.07 4.02 1.01 -1.24 -4.10 120.40 124.55 2eec s VAL 77 Ca 0.17 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2eec s VAL 77 Cb -0.15 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2eec s VAL 77 CO 0.09 0.33 -0.10 -0.04 0.00 0.00 0.00 175.10 175.38 2eec s MET 78 N -1.42 1.53 -0.01 2.72 -1.94 -1.26 -3.16 119.30 115.76 2eec s MET 78 Ca 0.14 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 2eec s MET 78 Cb -0.10 -1.35 0.01 0.00 2.01 0.00 0.00 34.83 35.40 2eec s MET 78 CO 0.05 -0.04 -0.01 1.52 -0.01 0.00 0.00 175.02 176.52 2eec s TYR 79 N 0.89 0.18 -0.31 -0.03 -0.85 -1.21 -2.63 117.35 113.40 2eec s TYR 79 Ca -0.11 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.44 2eec s TYR 79 Cb -0.15 -0.17 0.09 0.00 0.38 0.00 0.00 41.96 42.12 2eec s TYR 79 CO 0.01 -0.03 0.07 0.99 -1.52 0.00 0.00 175.55 175.07 2eec s THR 80 N 0.24 1.27 0.33 -3.49 2.01 -1.26 -3.51 115.64 111.22 2eec s THR 80 Ca -0.02 -1.58 -0.28 0.00 0.31 0.00 0.00 61.69 60.12 2eec s THR 80 Cb -0.04 -1.90 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 2eec s THR 80 CO -0.01 -0.59 1.22 -2.16 -0.69 0.00 0.00 174.62 172.40 2eec s PRO 81 N 1.43 4.40 -0.21 4.92 0.04 -1.26 -4.79 135.00 139.53 2eec s PRO 81 Ca 0.08 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.28 2eec s PRO 81 Cb -0.18 -3.05 -0.22 0.00 0.04 0.00 0.00 34.50 31.10 2eec s PRO 81 CO -0.19 -0.08 -0.02 -1.33 0.04 0.00 0.00 177.00 175.42 2eec n MET 82 N 0.80 0.77 -4.74 4.56 2.81 -1.26 -3.24 117.12 116.83 2eec n MET 82 Ca 0.00 0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.61 2eec n MET 82 Cb 0.43 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.32 2eec n MET 82 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2eec s ALA 83 N -2.48 2.68 1.00 3.04 0.00 -1.26 -3.22 121.76 121.52 2eec s ALA 83 Ca -0.16 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2eec s ALA 83 Cb 0.07 -0.90 0.19 0.00 0.00 0.00 0.00 23.12 22.47 2eec s ALA 83 CO 0.73 0.57 1.09 -1.25 0.00 0.00 0.00 175.76 176.90 2eec s PRO 84 N -1.11 0.45 0.00 0.00 0.04 -1.26 -4.82 135.00 128.30 2eec s PRO 84 Ca 0.14 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2eec s PRO 84 Cb -0.11 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2eec s PRO 84 CO 0.03 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.76 2eec n GLY 85 N -1.07 0.77 3.54 0.56 0.00 0.66 -4.88 105.19 104.77 2eec n GLY 85 Ca 0.05 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 2eec n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eec s ASN 86 N -4.00 4.96 0.11 1.61 2.20 -1.26 -0.30 114.94 118.25 2eec s ASN 86 Ca 0.00 -0.07 0.09 0.00 -0.94 0.00 0.00 52.86 51.94 2eec s ASN 86 Cb 0.00 -1.77 -0.04 0.00 -2.00 0.00 0.00 41.25 37.44 2eec s ASN 86 CO 0.00 0.19 -0.23 -0.31 -2.94 0.00 0.00 177.10 173.81 2eec s TYR 87 N 0.24 1.95 -0.02 1.54 1.51 -1.10 -4.08 117.35 117.39 2eec s TYR 87 Ca -0.01 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 2eec s TYR 87 Cb -0.14 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 2eec s TYR 87 CO 0.02 0.25 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.38 2eec s LEU 88 N -1.95 1.98 -0.21 -1.29 2.96 0.31 -2.70 118.68 117.79 2eec s LEU 88 Ca 0.09 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2eec s LEU 88 Cb -0.10 -0.88 0.04 0.00 0.50 0.00 0.00 46.19 45.75 2eec s LEU 88 CO 0.05 0.18 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.49 2eec s ILE 89 N -0.22 1.93 0.08 6.68 1.01 -1.15 -0.30 121.20 129.24 2eec s ILE 89 Ca 0.03 -1.15 -0.18 0.00 0.00 0.00 0.00 60.65 59.35 2eec s ILE 89 Cb -0.08 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2eec s ILE 89 CO 0.00 0.26 0.55 -0.94 0.00 0.00 0.00 174.94 174.81 2eec s SER 90 N 1.28 6.98 -0.05 3.58 1.04 -0.20 -2.46 113.70 123.87 2eec s SER 90 Ca -0.01 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2eec s SER 90 Cb -0.16 -2.33 0.02 0.00 0.10 0.00 0.00 66.02 63.65 2eec s SER 90 CO -0.09 0.24 -0.02 -0.69 0.98 0.00 0.00 173.24 173.65 2eec s VAL 91 N -1.19 0.44 0.03 5.02 1.01 -1.26 -3.89 120.40 120.56 2eec s VAL 91 Ca 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 2eec s VAL 91 Cb -0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2eec s VAL 91 CO 0.18 0.22 0.10 -0.54 0.00 0.00 0.00 175.10 175.06 2eec s LYS 92 N 1.23 0.55 -0.21 2.72 1.02 -1.26 -2.69 119.74 121.11 2eec s LYS 92 Ca -0.06 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2eec s LYS 92 Cb -0.14 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2eec s LYS 92 CO -0.02 -0.14 -0.15 1.52 -0.92 0.00 0.00 175.35 175.65 2eec s TYR 93 N -2.29 2.83 -0.85 3.18 1.13 -1.25 -4.51 117.35 115.59 2eec s TYR 93 Ca -0.08 -1.83 -0.08 0.00 -1.41 0.00 0.00 57.07 53.68 2eec s TYR 93 Cb -0.03 -1.85 0.01 0.00 -1.10 0.00 0.00 41.96 38.99 2eec s TYR 93 CO -0.03 -0.81 0.15 0.41 -2.51 0.00 0.00 175.55 172.75 2eec n GLY 94 N 4.58 -0.22 0.00 5.49 0.00 -1.23 -4.77 105.19 109.04 2eec n GLY 94 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2eec n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eec n GLY 95 N -1.84 2.08 0.20 -0.02 0.00 -1.26 -4.86 105.19 99.49 2eec n GLY 95 Ca -0.15 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 44.97 2eec n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eec h PRO 96 N 0.00 0.00 -6.97 1.61 0.13 -1.99 -3.45 132.00 121.33 2eec h PRO 96 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2eec h PRO 96 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 2eec h PRO 96 CO 0.00 0.34 0.60 0.09 -0.23 0.00 0.00 178.00 178.79 2eec n ASN 97 N -3.69 2.81 -4.96 1.44 4.13 -1.26 -4.96 115.26 108.76 2eec n ASN 97 Ca -0.01 1.04 -0.19 0.00 1.68 0.00 0.00 54.58 57.10 2eec n ASN 97 Cb 0.44 -1.57 -0.01 0.00 -1.54 0.00 0.00 39.78 37.10 2eec n ASN 97 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2eec s HIS 98 N -1.25 2.99 0.42 3.10 -3.43 -1.26 -3.93 115.29 111.93 2eec s HIS 98 Ca 0.66 -0.29 0.04 0.00 -0.80 0.00 0.00 55.06 54.68 2eec s HIS 98 Cb -0.44 -2.04 0.00 0.00 -1.43 0.00 0.00 32.58 28.67 2eec s HIS 98 CO 0.53 -0.05 0.59 0.96 -2.00 0.00 0.00 174.74 174.77 2eec s ILE 99 N -2.25 3.58 0.36 -5.38 -4.36 -1.09 -4.71 121.20 107.34 2eec s ILE 99 Ca 0.46 -0.82 -0.28 0.00 -0.26 0.00 0.00 60.65 59.74 2eec s ILE 99 Cb -0.08 -3.27 -0.11 0.00 1.25 0.00 0.00 42.46 40.25 2eec s ILE 99 CO 0.30 -0.14 1.50 -0.69 0.24 0.00 0.00 174.94 176.16 2eec s VAL 100 N -2.40 2.08 0.00 8.37 1.01 -1.26 -2.79 120.40 125.40 2eec s VAL 100 Ca 0.50 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2eec s VAL 100 Cb -0.10 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2eec s VAL 100 CO 0.34 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2eec n GLY 101 N 0.80 3.00 3.83 4.51 0.00 -1.26 -4.87 105.19 111.20 2eec n GLY 101 Ca 0.02 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 2eec n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eec s SER 102 N 0.00 6.43 0.69 1.61 0.15 -1.12 -4.22 113.70 117.24 2eec s SER 102 Ca 0.00 1.68 -0.14 0.00 0.70 0.00 0.00 55.95 58.20 2eec s SER 102 Cb 0.00 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2eec s SER 102 CO 0.00 -0.72 1.11 -2.16 1.20 0.00 0.00 173.24 172.67 2eec s PRO 103 N -3.87 2.64 -0.33 5.44 0.04 -1.26 -4.81 135.00 132.85 2eec s PRO 103 Ca 0.61 1.33 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 2eec s PRO 103 Cb -0.12 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2eec s PRO 103 CO 0.29 -1.37 0.48 -0.06 0.04 0.00 0.00 177.00 176.38 2eec s PHE 104 N -2.50 3.20 -1.12 0.56 0.08 -1.03 -4.92 117.98 112.25 2eec s PHE 104 Ca 0.65 0.24 -0.13 0.00 0.12 0.00 0.00 56.93 57.82 2eec s PHE 104 Cb -0.20 -2.83 0.21 0.00 -0.57 0.00 0.00 43.02 39.63 2eec s PHE 104 CO 0.46 -0.46 1.24 0.15 -0.10 0.00 0.00 175.22 176.51 2eec s LYS 105 N 2.31 4.05 0.42 0.44 1.02 -1.26 -2.91 119.74 123.81 2eec s LYS 105 Ca 0.18 -2.73 -0.00 0.00 0.02 0.00 0.00 55.97 53.44 2eec s LYS 105 Cb -0.16 -4.82 -0.02 0.00 -0.52 0.00 0.00 37.83 32.32 2eec s LYS 105 CO 0.12 -1.54 0.64 0.00 -0.92 0.00 0.00 175.35 173.65 2eec s ALA 106 N 0.55 3.71 -0.07 5.17 0.00 -1.10 -5.00 121.76 125.02 2eec s ALA 106 Ca 0.36 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2eec s ALA 106 Cb -0.06 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2eec s ALA 106 CO -0.04 -0.26 -0.25 0.21 0.00 0.00 0.00 175.76 175.42 2eec s LYS 107 N -4.50 2.72 -0.31 0.00 2.47 -1.26 -2.70 119.74 116.16 2eec s LYS 107 Ca 0.46 -0.90 -0.07 0.00 -1.56 0.00 0.00 55.97 53.89 2eec s LYS 107 Cb -0.10 -2.21 0.01 0.00 -1.46 0.00 0.00 37.83 34.08 2eec s LYS 107 CO 0.38 0.31 0.10 0.08 0.16 0.00 0.00 175.35 176.38 2eec s VAL 108 N 0.01 4.06 0.21 4.02 1.01 0.58 0.76 120.40 131.06 2eec s VAL 108 Ca -0.09 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2eec s VAL 108 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2eec s VAL 108 CO 0.06 0.00 -0.08 0.42 0.00 0.00 0.00 175.10 175.50 2eec s THR 109 N 1.50 3.22 0.00 3.92 -4.23 -0.95 -0.24 115.64 118.86 2eec s THR 109 Ca 0.02 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2eec s THR 109 Cb -0.18 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2eec s THR 109 CO 0.03 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2eec n GLY 110 N -0.23 3.74 3.65 3.99 0.00 -1.26 -3.58 105.19 111.49 2eec n GLY 110 Ca -0.09 -1.03 -0.53 0.00 0.00 0.00 0.00 46.02 44.36 2eec n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eec n GLN 111 N 0.00 1.31 -0.98 1.61 3.00 -1.26 -4.31 117.38 116.74 2eec n GLN 111 Ca 0.00 0.47 -0.32 0.00 -0.01 0.00 0.00 57.00 57.14 2eec n GLN 111 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 30.24 28.08 2eec n GLN 111 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2eec n ARG 112 N 3.91 0.00 -3.40 -1.09 1.85 -1.26 -4.87 116.66 111.81 2eec n ARG 112 Ca 0.21 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.64 2eec n ARG 112 Cb 0.18 -0.74 -0.09 0.00 -1.05 0.00 0.00 32.46 30.76 2eec n ARG 112 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2eec s LEU 113 N 2.97 4.97 -0.00 2.89 1.43 -1.20 -5.06 118.68 124.68 2eec s LEU 113 Ca 0.45 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2eec s LEU 113 Cb -0.53 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2eec s LEU 113 CO 0.45 -0.50 -0.21 0.54 0.23 0.00 0.00 176.35 176.86 2eec s VAL 114 N 1.89 1.70 -0.01 -1.59 0.11 -1.26 -5.02 120.40 116.22 2eec s VAL 114 Ca 0.08 -0.99 -0.10 0.00 -2.93 0.00 0.00 61.98 58.05 2eec s VAL 114 Cb -0.18 -1.42 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 2eec s VAL 114 CO 0.12 0.42 0.31 -0.55 -3.33 0.00 0.00 175.10 172.06 2eec s SER 115 N -0.67 6.60 0.54 3.54 0.15 -1.26 -4.99 113.70 117.61 2eec s SER 115 Ca 0.08 0.71 0.34 0.00 0.70 0.00 0.00 55.95 57.78 2eec s SER 115 Cb -0.08 -2.15 1.40 0.00 -1.71 0.00 0.00 66.02 63.47 2eec s SER 115 CO -0.00 0.30 1.99 1.55 1.20 0.00 0.00 173.24 178.27 2eec h PRO 116 N 4.38 0.00 -4.95 5.44 0.13 -2.06 -3.48 132.00 131.46 2eec h PRO 116 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2eec h PRO 116 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2eec h PRO 116 CO 0.63 0.00 -1.04 0.41 -0.23 0.00 0.00 178.00 177.77 2eec n GLY 117 N -0.02 -4.42 3.23 1.56 0.00 -1.26 -4.94 105.19 99.34 2eec n GLY 117 Ca 0.01 0.67 -0.34 0.00 0.00 0.00 0.00 46.02 46.35 2eec n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eec n SER 118 N 0.84 -2.95 -4.88 1.61 2.88 -1.26 -4.96 113.62 104.90 2eec n SER 118 Ca -0.08 0.07 -0.36 0.00 -1.33 0.00 0.00 58.87 57.17 2eec n SER 118 Cb 0.12 -0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 62.61 2eec n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eec s ALA 119 N -2.20 3.84 0.25 -1.46 0.00 -1.26 -5.11 121.76 115.82 2eec s ALA 119 Ca 0.50 -0.56 0.11 0.00 0.00 0.00 0.00 51.96 52.02 2eec s ALA 119 Cb -0.11 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 2eec s ALA 119 CO 0.69 0.62 -0.17 1.21 0.00 0.00 0.00 175.76 178.12 2eec s ASN 120 N -1.41 3.78 -0.29 0.00 2.47 -1.26 -5.12 114.94 113.11 2eec s ASN 120 Ca 0.23 -0.89 0.02 0.00 0.42 0.00 0.00 52.86 52.64 2eec s ASN 120 Cb -0.13 -0.42 0.08 0.00 -1.45 0.00 0.00 41.25 39.33 2eec s ASN 120 CO 0.12 0.06 0.00 -0.70 -3.72 0.00 0.00 177.10 172.86 2eec s GLU 121 N -3.30 1.52 -0.17 0.43 2.12 -1.26 -5.11 118.70 112.93 2eec s GLU 121 Ca 0.28 -1.40 -0.08 0.00 0.36 0.00 0.00 54.97 54.13 2eec s GLU 121 Cb -0.06 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 2eec s GLU 121 CO 0.15 -0.79 0.11 0.99 -0.54 0.00 0.00 175.26 175.18 2eec s THR 122 N 1.20 5.24 -0.29 -1.70 2.01 -1.26 -5.07 115.64 115.76 2eec s THR 122 Ca 0.03 0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 2eec s THR 122 Cb -0.19 -3.35 0.13 0.00 0.01 0.00 0.00 72.50 69.10 2eec s THR 122 CO -0.10 0.50 0.83 -0.55 -0.69 0.00 0.00 174.62 174.61 2eec s SER 123 N -0.04 -0.78 -0.32 3.53 0.15 -1.26 -5.14 113.70 109.83 2eec s SER 123 Ca 0.09 1.16 -0.18 0.00 0.70 0.00 0.00 55.95 57.72 2eec s SER 123 Cb -0.12 1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 65.79 2eec s SER 123 CO 0.00 -0.17 0.53 -0.55 1.20 0.00 0.00 173.24 174.25 2eec s SER 124 N 2.03 6.36 0.00 5.45 0.15 -1.26 -5.37 113.70 121.06 2eec s SER 124 Ca -0.07 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2eec s SER 124 Cb -0.06 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2eec s SER 124 CO -0.18 -0.44 0.12 2.30 1.20 0.00 0.00 173.24 176.24