#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jti s SER 2 N 0.00 5.19 0.00 1.61 0.15 -1.26 -5.04 113.70 114.35 2jti s SER 2 Ca 0.00 -0.53 0.14 0.00 0.70 0.00 0.00 55.95 56.26 2jti s SER 2 Cb 0.00 -0.96 -0.15 0.00 -1.71 0.00 0.00 66.02 63.20 2jti s SER 2 CO 0.00 -0.32 0.60 0.00 1.20 0.00 0.00 173.24 174.72 2jti n ALA 3 N -1.32 3.79 0.05 5.45 0.00 -1.26 -4.18 120.51 123.04 2jti n ALA 3 Ca -0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 2jti n ALA 3 Cb 0.60 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 2jti n ALA 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jti h LYS 4 N 0.06 0.12 0.00 0.00 6.56 -1.96 -3.17 116.57 118.18 2jti h LYS 4 Ca 0.00 -0.21 -0.02 0.00 -1.06 0.00 0.00 60.65 59.36 2jti h LYS 4 Cb 0.33 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2jti h LYS 4 CO 0.00 0.96 -0.41 -0.22 -2.06 0.00 0.00 179.45 177.72 2jti h LYS 5 N 0.03 0.00 0.00 3.15 3.64 -1.93 -3.22 116.57 118.24 2jti h LYS 5 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2jti h LYS 5 Cb 1.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 2jti h LYS 5 CO 0.14 0.07 0.00 0.78 -2.27 0.00 0.00 179.45 178.17 2jti h GLY 6 N 3.93 0.00 2.00 5.01 0.00 -1.71 -3.07 103.07 109.23 2jti h GLY 6 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2jti h GLY 6 CO 0.01 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.75 2jti h ALA 7 N 2.16 0.54 0.00 3.60 0.00 -1.56 -2.96 119.26 121.05 2jti h ALA 7 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jti h ALA 7 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jti h ALA 7 CO 0.00 1.00 -0.65 0.25 0.00 0.00 0.00 179.25 179.85 2jti n THR 8 N -3.39 0.32 0.02 0.00 -2.24 -1.21 -3.26 114.28 104.52 2jti n THR 8 Ca 0.00 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2jti n THR 8 Cb 0.82 -0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.83 2jti n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jti h LEU 9 N 0.00 0.20 0.03 3.22 3.38 -1.53 -3.32 115.31 117.29 2jti h LEU 9 Ca 0.00 -0.33 -0.24 0.00 0.09 0.00 0.00 57.88 57.40 2jti h LEU 9 Cb 0.73 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2jti h LEU 9 CO 0.00 1.29 -1.15 0.15 0.09 0.00 0.00 178.44 178.82 2jti h PHE 10 N 0.03 0.11 0.00 1.13 3.04 -1.65 -2.97 116.94 116.63 2jti h PHE 10 Ca -0.26 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.62 2jti h PHE 10 Cb 1.99 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.49 2jti h PHE 10 CO 0.03 1.07 0.00 1.17 -2.02 0.00 0.00 178.31 178.56 2jti n LYS 11 N -3.35 0.89 0.00 1.11 4.81 -1.20 -3.45 118.16 116.97 2jti n LYS 11 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2jti n LYS 11 Cb 0.97 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.83 2jti n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jti n ALA 12 N -0.69 2.75 0.04 3.14 0.00 -1.20 -4.91 120.51 119.64 2jti n ALA 12 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2jti n ALA 12 Cb 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 2jti n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jti h ARG 13 N 0.00 -0.11 0.00 0.00 3.08 -1.71 -3.46 114.38 112.18 2jti h ARG 13 Ca 0.00 0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.78 2jti h ARG 13 Cb 0.00 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.10 2jti h ARG 13 CO 0.00 0.27 -0.03 0.00 -1.07 0.00 0.00 179.97 179.14 2jti n LEU 15 N 0.00 0.00 0.17 0.00 7.94 -1.24 -4.36 117.00 119.51 2jti n LEU 15 Ca 0.10 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.17 2jti n LEU 15 Cb 0.35 0.00 0.80 0.00 0.53 0.00 0.00 43.42 45.10 2jti n LEU 15 CO 0.23 0.00 1.15 0.06 -1.11 0.00 0.00 177.39 177.72 2jti h GLN 16 N 0.00 0.00 0.00 1.96 3.07 -1.89 -3.15 115.11 115.10 2jti h GLN 16 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.55 2jti h GLN 16 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 2jti h GLN 16 CO 0.00 0.00 -1.69 0.00 0.09 0.00 0.00 178.83 177.23 2jti s HIS 18 N -2.24 2.59 0.02 0.00 3.76 -1.19 -3.23 115.29 115.00 2jti s HIS 18 Ca -0.16 -0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 54.31 2jti s HIS 18 Cb 0.05 -2.48 0.01 0.00 1.11 0.00 0.00 32.58 31.26 2jti s HIS 18 CO 0.27 -0.68 0.20 0.95 -0.85 0.00 0.00 174.74 174.62 2jti s THR 19 N -2.53 0.09 -0.86 1.30 -4.23 -1.26 -4.14 115.64 104.01 2jti s THR 19 Ca 0.57 -0.74 0.12 0.00 -1.18 0.00 0.00 61.69 60.46 2jti s THR 19 Cb -0.09 -0.67 0.35 0.00 1.34 0.00 0.00 72.50 73.43 2jti s THR 19 CO 0.36 -0.41 1.29 1.33 -0.54 0.00 0.00 174.62 176.65 2jti n VAL 20 N 1.09 1.19 -3.15 2.29 0.24 -1.26 -3.57 118.33 115.16 2jti n VAL 20 Ca -0.21 -1.12 -0.29 0.00 -2.04 0.00 0.00 64.34 60.68 2jti n VAL 20 Cb 0.57 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 2jti n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2jti s GLU 21 N -1.27 3.67 -0.47 7.34 -1.05 -1.26 -4.73 118.70 120.93 2jti s GLU 21 Ca 0.27 0.15 -0.29 0.00 -0.15 0.00 0.00 54.97 54.95 2jti s GLU 21 Cb 0.16 -2.55 0.03 0.00 -0.44 0.00 0.00 34.13 31.33 2jti s GLU 21 CO 0.15 0.11 1.13 0.21 0.95 0.00 0.00 175.26 177.81 2jti s LYS 22 N -3.74 3.72 -0.00 -4.83 2.20 -1.26 -4.31 119.74 111.51 2jti s LYS 22 Ca 0.46 0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 56.63 2jti s LYS 22 Cb -0.10 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 2jti s LYS 22 CO 0.31 -1.37 0.01 0.41 -0.36 0.00 0.00 175.35 174.35 2jti n GLY 23 N 4.84 -1.26 3.49 5.54 0.00 -1.26 -5.11 105.19 111.44 2jti n GLY 23 Ca 0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2jti n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jti s GLY 24 N -0.76 2.25 0.52 -0.02 0.00 -1.26 -5.14 107.32 102.90 2jti s GLY 24 Ca 0.00 -1.88 -0.17 0.00 0.00 0.00 0.00 44.72 42.67 2jti s GLY 24 CO 0.01 -1.87 1.00 2.56 0.00 0.00 0.00 173.10 174.81 2jti s PRO 25 N -3.85 3.82 -0.45 2.90 0.04 -1.26 -5.03 135.00 131.17 2jti s PRO 25 Ca 0.33 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 2jti s PRO 25 Cb 0.08 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.56 2jti s PRO 25 CO 0.15 -0.38 0.37 -1.01 0.04 0.00 0.00 177.00 176.17 2jti s HIS 26 N -2.47 3.24 -0.00 0.56 3.76 -1.26 -4.97 115.29 114.14 2jti s HIS 26 Ca 0.61 -0.79 -0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2jti s HIS 26 Cb -0.12 -2.98 -0.00 0.00 1.11 0.00 0.00 32.58 30.59 2jti s HIS 26 CO 0.29 -0.73 0.14 0.87 -0.85 0.00 0.00 174.74 174.46 2jti h LYS 27 N 8.72 -0.01 0.00 1.40 1.57 -1.88 -3.45 116.57 122.91 2jti h LYS 27 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2jti h LYS 27 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2jti h LYS 27 CO 0.83 -0.01 -0.71 0.28 -0.57 0.00 0.00 179.45 179.28 2jti n VAL 28 N -2.15 0.00 -4.62 0.50 0.31 -1.26 -5.09 118.33 106.02 2jti n VAL 28 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2jti n VAL 28 Cb 0.00 -0.70 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 2jti n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2jti s GLY 29 N -2.40 2.92 0.00 2.92 0.00 -1.20 -5.08 107.32 104.48 2jti s GLY 29 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2jti s GLY 29 CO 0.00 -2.16 0.00 -1.55 0.00 0.00 0.00 173.10 169.39 2jti n PRO 30 N -1.35 0.30 -4.34 2.90 -0.04 -1.26 -4.74 135.00 126.47 2jti n PRO 30 Ca -0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 2jti n PRO 30 Cb 0.67 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.03 2jti n PRO 30 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2jti s ASN 31 N -1.08 5.24 0.00 3.54 3.84 -1.26 -4.38 114.94 120.84 2jti s ASN 31 Ca 0.00 0.12 0.25 0.00 0.21 0.00 0.00 52.86 53.45 2jti s ASN 31 Cb 0.00 -1.54 0.57 0.00 -0.55 0.00 0.00 41.25 39.73 2jti s ASN 31 CO 0.00 0.35 1.45 0.18 -2.79 0.00 0.00 177.10 176.29 2jti n LEU 32 N 2.35 0.84 -4.55 3.21 4.77 -1.23 -4.85 117.00 117.54 2jti n LEU 32 Ca -0.18 -0.18 -0.40 0.00 -0.03 0.00 0.00 56.01 55.21 2jti n LEU 32 Cb 0.53 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2jti n LEU 32 CO 0.29 0.17 1.97 1.57 -1.33 0.00 0.00 177.39 180.06 2jti n HIS 33 N -1.02 1.57 -0.69 -1.77 -0.00 -1.26 -2.30 115.22 109.76 2jti n HIS 33 Ca 0.09 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.33 2jti n HIS 33 Cb 0.35 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.57 2jti n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jti n GLY 34 N 6.01 0.62 0.01 1.57 0.00 -1.26 -5.00 105.19 107.14 2jti n GLY 34 Ca 0.37 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2jti n GLY 34 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jti n ILE 35 N -0.44 0.00 -2.76 -0.61 0.13 -0.97 -4.54 119.36 110.16 2jti n ILE 35 Ca 0.00 -0.36 -0.43 0.00 -1.10 0.00 0.00 62.75 60.87 2jti n ILE 35 Cb 0.19 0.19 -0.03 0.00 -0.84 0.00 0.00 39.64 39.15 2jti n ILE 35 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 2jti s PHE 36 N -3.09 2.84 0.00 9.51 0.40 -1.26 -3.43 117.98 122.95 2jti s PHE 36 Ca -0.05 -1.10 0.00 0.00 -0.60 0.00 0.00 56.93 55.18 2jti s PHE 36 Cb 0.10 -4.46 0.00 0.00 0.51 0.00 0.00 43.02 39.17 2jti s PHE 36 CO 0.67 -1.70 0.00 0.41 0.70 0.00 0.00 175.22 175.31 2jti n GLY 37 N 6.07 1.26 3.95 4.36 0.00 -1.24 -5.03 105.19 114.56 2jti n GLY 37 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 2jti n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jti s ARG 38 N 0.00 3.39 0.64 1.61 3.52 -1.22 -4.92 118.95 121.97 2jti s ARG 38 Ca 0.00 -0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2jti s ARG 38 Cb 0.00 -2.69 0.05 0.00 -1.56 0.00 0.00 34.95 30.75 2jti s ARG 38 CO 0.00 0.12 0.92 -1.01 -0.81 0.00 0.00 175.30 174.51 2jti s HIS 39 N -2.30 2.93 -0.13 5.12 3.76 -1.26 -3.76 115.29 119.65 2jti s HIS 39 Ca 0.41 0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 55.32 2jti s HIS 39 Cb -0.10 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.59 2jti s HIS 39 CO 0.35 -1.16 1.19 -1.54 -0.85 0.00 0.00 174.74 172.73 2jti s SER 40 N -4.46 7.03 0.00 1.40 1.04 -1.21 -3.82 113.70 113.68 2jti s SER 40 Ca 0.58 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.69 2jti s SER 40 Cb -0.11 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2jti s SER 40 CO 0.42 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2jti n GLY 41 N 3.44 0.59 0.00 7.32 0.00 -1.26 -4.48 105.19 110.80 2jti n GLY 41 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jti n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jti n GLN 42 N -0.20 0.52 -2.38 1.61 1.13 -1.25 -5.00 117.38 111.82 2jti n GLN 42 Ca 0.00 -0.19 -0.43 0.00 -1.94 0.00 0.00 57.00 54.44 2jti n GLN 42 Cb 0.11 -0.63 -0.02 0.00 0.11 0.00 0.00 30.24 29.81 2jti n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jti s ALA 43 N -0.13 3.60 0.28 -1.58 0.00 -1.26 -5.01 121.76 117.66 2jti s ALA 43 Ca 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 2jti s ALA 43 Cb 0.00 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2jti s ALA 43 CO 0.00 -1.04 0.71 -1.83 0.00 0.00 0.00 175.76 173.60 2jti s GLU 44 N 3.03 4.04 0.00 0.00 -1.05 -1.26 -4.19 118.70 119.27 2jti s GLU 44 Ca 0.58 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 56.06 2jti s GLU 44 Cb -0.25 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 2jti s GLU 44 CO 0.19 0.24 0.00 0.41 0.95 0.00 0.00 175.26 177.06 2jti n GLY 45 N -0.03 0.95 3.32 -3.83 0.00 -1.26 -4.99 105.19 99.35 2jti n GLY 45 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2jti n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jti s TYR 46 N -2.00 -0.40 -0.09 1.61 5.04 -1.26 -4.95 117.35 115.30 2jti s TYR 46 Ca 0.00 0.85 -0.21 0.00 -2.44 0.00 0.00 57.07 55.27 2jti s TYR 46 Cb 0.00 0.17 -0.04 0.00 0.35 0.00 0.00 41.96 42.44 2jti s TYR 46 CO 0.00 -0.33 0.61 0.45 -1.34 0.00 0.00 175.55 174.94 2jti s SER 47 N -0.47 6.85 0.61 4.32 0.15 -1.26 -5.01 113.70 118.89 2jti s SER 47 Ca -0.06 1.02 0.09 0.00 0.70 0.00 0.00 55.95 57.70 2jti s SER 47 Cb -0.03 -2.36 0.10 0.00 -1.71 0.00 0.00 66.02 62.02 2jti s SER 47 CO 0.03 -0.07 0.84 -0.31 1.20 0.00 0.00 173.24 174.92 2jti s TYR 48 N 0.77 1.22 0.00 3.44 1.51 -1.26 -5.09 117.35 117.94 2jti s TYR 48 Ca 0.32 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 2jti s TYR 48 Cb -0.17 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.44 2jti s TYR 48 CO 0.15 -1.30 0.00 0.25 -1.11 0.00 0.00 175.55 173.54 2jti n THR 49 N -2.34 0.00 0.60 -0.71 -2.24 -1.26 -5.04 114.28 103.29 2jti n THR 49 Ca 0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 2jti n THR 49 Cb 0.62 -0.90 0.04 0.00 -2.10 0.00 0.00 70.33 67.99 2jti n THR 49 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jti n ASP 50 N -1.49 0.62 -0.62 3.42 8.00 -1.26 -4.18 116.55 121.04 2jti n ASP 50 Ca 0.00 -0.21 0.09 0.00 0.71 0.00 0.00 54.79 55.39 2jti n ASP 50 Cb 0.00 0.73 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 2jti n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jti n ALA 51 N -1.80 2.82 -0.03 2.24 0.00 -1.26 -4.16 120.51 118.32 2jti n ALA 51 Ca 0.02 -0.62 0.05 0.00 0.00 0.00 0.00 53.44 52.89 2jti n ALA 51 Cb 0.43 -0.65 -0.15 0.00 0.00 0.00 0.00 19.45 19.08 2jti n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jti n ASN 52 N 0.60 0.56 0.06 0.00 2.85 -1.26 -4.22 115.26 113.85 2jti n ASN 52 Ca 0.10 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.65 2jti n ASN 52 Cb 0.44 1.63 -0.06 0.00 1.24 0.00 0.00 39.78 43.03 2jti n ASN 52 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2jti n ILE 53 N -2.31 0.62 0.08 -1.44 5.41 -1.26 -4.18 119.36 116.28 2jti n ILE 53 Ca -0.11 -0.58 -0.11 0.00 1.00 0.00 0.00 62.75 62.96 2jti n ILE 53 Cb 0.66 -0.34 -0.09 0.00 -0.71 0.00 0.00 39.64 39.16 2jti n ILE 53 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2jti h LYS 54 N 0.00 0.15 0.29 0.38 1.57 -1.77 -3.33 116.57 113.86 2jti h LYS 54 Ca -0.05 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2jti h LYS 54 Cb 1.16 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2jti h LYS 54 CO 0.01 1.06 -0.14 0.87 -0.57 0.00 0.00 179.45 180.68 2jti h LYS 55 N 0.06 -0.38 -5.98 3.15 1.79 -1.73 -3.48 116.57 109.99 2jti h LYS 55 Ca -0.06 0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.22 2jti h LYS 55 Cb 1.77 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 32.51 2jti h LYS 55 CO 0.16 -0.15 -0.85 -1.71 -1.08 0.00 0.00 179.45 175.82 2jti n ASN 56 N -5.19 -6.60 -4.15 0.86 2.85 -1.25 -5.02 115.26 96.76 2jti n ASN 56 Ca -0.10 0.08 -0.22 0.00 -0.11 0.00 0.00 54.58 54.23 2jti n ASN 56 Cb 0.22 -3.40 -0.14 0.00 1.24 0.00 0.00 39.78 37.70 2jti n ASN 56 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2jti s VAL 57 N -2.12 1.20 0.27 3.44 -7.23 -1.26 -4.85 120.40 109.84 2jti s VAL 57 Ca 0.28 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 2jti s VAL 57 Cb -0.05 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 2jti s VAL 57 CO 0.83 0.13 1.08 -0.22 -0.31 0.00 0.00 175.10 176.61 2jti s LEU 58 N -0.90 4.56 -0.38 1.32 2.96 -1.26 -3.32 118.68 121.67 2jti s LEU 58 Ca 0.04 2.22 -0.18 0.00 -0.22 0.00 0.00 54.13 55.98 2jti s LEU 58 Cb -0.07 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.00 2jti s LEU 58 CO 0.01 -0.11 0.52 0.26 -1.32 0.00 0.00 176.35 175.71 2jti s TRP 59 N -1.11 3.16 0.00 5.38 0.52 -1.25 -4.91 118.94 120.74 2jti s TRP 59 Ca 0.44 0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.59 2jti s TRP 59 Cb -0.31 -2.99 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 2jti s TRP 59 CO 0.39 -0.63 0.00 -0.25 0.02 0.00 0.00 176.95 176.48 2jti n ASP 60 N 5.81 1.60 -0.34 2.95 9.92 -1.26 -3.68 116.55 131.55 2jti n ASP 60 Ca -0.05 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.33 2jti n ASP 60 Cb 0.48 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.03 2jti n ASP 60 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2jti n GLU 61 N 0.00 0.87 -0.01 -1.24 0.28 -1.26 -3.46 120.64 115.83 2jti n GLU 61 Ca 0.00 -0.68 0.06 0.00 -0.16 0.00 0.00 57.16 56.39 2jti n GLU 61 Cb 0.00 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.29 2jti n GLU 61 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2jti n ASN 62 N -0.48 1.92 -0.03 -1.84 3.02 -1.26 -4.44 115.26 112.15 2jti n ASN 62 Ca 0.09 -0.10 0.04 0.00 -0.03 0.00 0.00 54.58 54.58 2jti n ASN 62 Cb 0.41 1.51 -0.15 0.00 -0.61 0.00 0.00 39.78 40.94 2jti n ASN 62 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jti n ASN 63 N -1.86 0.61 0.22 6.41 2.85 -1.26 -4.33 115.26 117.90 2jti n ASN 63 Ca -0.02 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.58 2jti n ASN 63 Cb 0.31 1.58 0.24 0.00 1.24 0.00 0.00 39.78 43.15 2jti n ASN 63 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 2jti h MET 64 N 0.00 0.00 0.00 1.20 4.05 -1.80 -3.16 114.93 115.21 2jti h MET 64 Ca -0.15 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 2jti h MET 64 Cb 1.26 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2jti h MET 64 CO 0.01 0.02 -0.15 1.03 0.23 0.00 0.00 176.91 178.05 2jti h SER 65 N 0.00 0.00 0.85 1.39 0.87 -1.78 -3.00 113.55 111.89 2jti h SER 65 Ca -0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2jti h SER 65 Cb 0.95 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 2jti h SER 65 CO 0.00 0.15 -1.21 -0.33 -0.53 0.00 0.00 176.83 174.91 2jti h GLU 66 N 0.00 0.00 0.00 2.24 5.08 -1.79 -3.30 114.58 116.81 2jti h GLU 66 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2jti h GLU 66 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jti h GLU 66 CO 0.02 0.79 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.64 2jti h TYR 67 N 0.00 0.00 0.00 4.33 3.20 -1.62 -3.13 116.97 119.75 2jti h TYR 67 Ca -0.10 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.58 2jti h TYR 67 Cb 1.82 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 2jti h TYR 67 CO 0.00 0.26 -0.85 -0.07 -1.64 0.00 0.00 178.16 175.86 2jti h LEU 68 N 0.00 0.18 -0.11 2.82 3.38 -1.62 -3.23 115.31 116.72 2jti h LEU 68 Ca -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2jti h LEU 68 Cb 0.91 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jti h LEU 68 CO 0.03 0.94 -0.10 0.74 0.09 0.00 0.00 178.44 180.15 2jti h THR 69 N 0.08 1.35 -2.28 0.22 2.02 -1.64 -1.69 112.91 110.97 2jti h THR 69 Ca -0.03 -1.23 -0.28 0.00 0.77 0.00 0.00 66.41 65.64 2jti h THR 69 Cb 1.47 1.91 -0.34 0.00 -1.74 0.00 0.00 68.15 69.45 2jti h THR 69 CO 0.12 0.35 -0.60 0.20 0.37 0.00 0.00 175.52 175.97 2jti s ASN 70 N -5.99 1.22 0.38 4.18 0.01 -1.22 -4.13 114.94 109.38 2jti s ASN 70 Ca -0.15 -0.28 0.20 0.00 -0.71 0.00 0.00 52.86 51.93 2jti s ASN 70 Cb 0.04 0.58 0.36 0.00 0.41 0.00 0.00 41.25 42.64 2jti s ASN 70 CO 0.73 -0.34 1.59 1.55 -1.51 0.00 0.00 177.10 179.12 2jti h PRO 71 N 8.27 0.00 0.00 -0.60 0.13 -1.83 -2.99 132.00 134.98 2jti h PRO 71 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2jti h PRO 71 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jti h PRO 71 CO 0.30 0.25 -1.29 1.63 -0.23 0.00 0.00 178.00 178.65 2jti n LYS 72 N -3.20 0.41 -0.00 0.86 5.02 -1.26 -3.54 118.16 116.45 2jti n LYS 72 Ca 0.02 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.10 2jti n LYS 72 Cb 0.59 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 2jti n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jti n LYS 73 N -2.10 0.72 -0.01 1.97 4.81 -1.24 -3.97 118.16 118.35 2jti n LYS 73 Ca 0.00 0.28 -0.13 0.00 -0.87 0.00 0.00 58.31 57.59 2jti n LYS 73 Cb 0.48 -1.74 -0.10 0.00 0.02 0.00 0.00 35.03 33.69 2jti n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2jti h TYR 74 N 0.05 -0.03 -3.71 5.64 3.20 -1.71 -3.41 116.97 117.01 2jti h TYR 74 Ca -0.38 -0.00 -0.68 0.00 3.14 0.00 0.00 58.73 60.81 2jti h TYR 74 Cb 2.03 0.01 -0.33 0.00 1.54 0.00 0.00 36.73 39.98 2jti h TYR 74 CO 0.05 0.50 -0.73 0.42 -1.64 0.00 0.00 178.16 176.77 2jti s ILE 75 N -3.97 2.87 -0.35 1.81 1.01 -1.23 -5.07 121.20 116.26 2jti s ILE 75 Ca -0.16 -1.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 2jti s ILE 75 Cb 0.01 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2jti s ILE 75 CO 0.65 -0.01 1.37 -2.16 0.00 0.00 0.00 174.94 174.80 2jti s PRO 76 N 1.26 3.75 0.00 2.79 0.04 -1.25 -3.93 135.00 137.65 2jti s PRO 76 Ca -0.04 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2jti s PRO 76 Cb -0.19 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2jti s PRO 76 CO -0.02 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2jti n GLY 77 N 4.69 0.81 3.88 0.56 0.00 -1.26 -4.87 105.19 109.00 2jti n GLY 77 Ca 0.16 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2jti n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jti s THR 78 N -1.98 4.93 -0.21 2.61 -1.32 -1.25 -4.54 115.64 113.88 2jti s THR 78 Ca 0.00 -0.91 -0.20 0.00 -1.21 0.00 0.00 61.69 59.37 2jti s THR 78 Cb 0.00 -3.55 -0.17 0.00 -1.51 0.00 0.00 72.50 67.27 2jti s THR 78 CO 0.00 -0.13 0.11 1.17 -2.21 0.00 0.00 174.62 173.55 2jti n LYS 79 N -0.57 0.56 -1.79 7.08 4.81 -1.26 -4.82 118.16 122.17 2jti n LYS 79 Ca -0.08 0.53 -0.43 0.00 -0.87 0.00 0.00 58.31 57.47 2jti n LYS 79 Cb 0.55 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.86 2jti n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jti s MET 80 N -2.38 3.65 -0.02 1.64 0.23 -1.26 -4.95 119.30 116.21 2jti s MET 80 Ca -0.29 2.09 -0.16 0.00 -1.03 0.00 0.00 55.69 56.30 2jti s MET 80 Cb 0.07 -4.20 -0.05 0.00 -1.53 0.00 0.00 34.83 29.11 2jti s MET 80 CO 0.55 -1.49 0.44 0.00 -2.03 0.00 0.00 175.02 172.49 2jti s ALA 81 N 6.13 3.63 -0.19 3.16 0.00 -1.26 -4.96 121.76 128.27 2jti s ALA 81 Ca 0.87 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 2jti s ALA 81 Cb -0.33 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.36 2jti s ALA 81 CO 0.35 0.36 0.50 0.12 0.00 0.00 0.00 175.76 177.09 2jti s PHE 82 N -0.69 -0.59 0.01 0.00 5.36 -1.26 -5.08 117.98 115.72 2jti s PHE 82 Ca 0.25 1.38 -0.03 0.00 -0.96 0.00 0.00 56.93 57.57 2jti s PHE 82 Cb -0.17 0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.73 2jti s PHE 82 CO 0.13 -0.30 1.05 0.78 -1.46 0.00 0.00 175.22 175.42 2jti h GLY 83 N 5.79 -1.10 0.00 13.12 0.00 -1.96 -3.43 103.07 115.49 2jti h GLY 83 Ca -0.29 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2jti h GLY 83 CO 0.21 -0.41 0.00 0.61 0.00 0.00 0.00 176.54 176.95 2jti n GLY 84 N -1.04 4.26 3.72 4.60 0.00 -1.26 -4.81 105.19 110.66 2jti n GLY 84 Ca -0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2jti n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jti s LEU 85 N 0.00 4.44 0.00 0.99 1.43 -0.64 -4.93 118.68 119.96 2jti s LEU 85 Ca 0.00 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2jti s LEU 85 Cb 0.00 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.67 2jti s LEU 85 CO 0.00 -0.20 0.94 0.29 0.23 0.00 0.00 176.35 177.61 2jti n LYS 86 N 3.28 2.25 -4.14 1.70 4.76 -1.26 -4.13 118.16 120.61 2jti n LYS 86 Ca 0.04 -1.39 -0.27 0.00 -2.87 0.00 0.00 58.31 53.82 2jti n LYS 86 Cb 0.49 -1.04 -0.07 0.00 -1.84 0.00 0.00 35.03 32.58 2jti n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jti s LYS 87 N -0.83 2.61 0.08 1.97 1.02 -1.26 -5.01 119.74 118.32 2jti s LYS 87 Ca 0.03 -0.96 0.25 0.00 0.02 0.00 0.00 55.97 55.31 2jti s LYS 87 Cb 0.02 -2.50 0.51 0.00 -0.52 0.00 0.00 37.83 35.34 2jti s LYS 87 CO 0.02 0.49 1.44 0.39 -0.92 0.00 0.00 175.35 176.77 2jti n GLU 88 N -0.01 0.18 0.02 1.68 1.02 -1.26 -3.34 120.64 118.93 2jti n GLU 88 Ca -0.09 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 2jti n GLU 88 Cb 0.54 -1.63 0.15 0.00 -0.02 0.00 0.00 31.44 30.49 2jti n GLU 88 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jti n LYS 89 N -1.89 0.12 0.01 3.49 5.02 -1.26 -3.47 118.16 120.18 2jti n LYS 89 Ca 0.04 0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2jti n LYS 89 Cb 0.40 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 2jti n LYS 89 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jti n ASP 90 N -1.72 0.15 0.06 4.39 9.92 -1.23 -3.93 116.55 124.19 2jti n ASP 90 Ca 0.04 0.06 0.07 0.00 -0.53 0.00 0.00 54.79 54.42 2jti n ASP 90 Cb 0.38 1.71 -0.05 0.00 -0.64 0.00 0.00 41.12 42.52 2jti n ASP 90 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2jti n ARG 91 N -2.34 0.62 0.14 -1.24 1.74 -1.21 -3.48 116.66 110.89 2jti n ARG 91 Ca -0.04 0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 2jti n ARG 91 Cb 0.58 -1.79 0.07 0.00 -1.02 0.00 0.00 32.46 30.30 2jti n ARG 91 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jti h ASN 92 N 0.00 0.00 0.62 0.55 2.35 -1.74 -3.23 115.58 114.12 2jti h ASN 92 Ca -0.07 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.48 2jti h ASN 92 Cb 1.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.59 2jti h ASN 92 CO 0.02 0.00 -1.52 0.47 -1.65 0.00 0.00 177.43 174.75 2jti n ASP 93 N -2.79 0.78 0.12 5.81 9.92 -1.25 -3.60 116.55 125.55 2jti n ASP 93 Ca 0.01 0.35 0.01 0.00 -0.53 0.00 0.00 54.79 54.64 2jti n ASP 93 Cb 0.54 0.25 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 2jti n ASP 93 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2jti h LEU 94 N 0.00 0.00 -0.08 0.64 5.85 -1.68 -3.15 115.31 116.90 2jti h LEU 94 Ca -0.19 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 2jti h LEU 94 Cb 1.65 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 2jti h LEU 94 CO 0.05 0.56 -0.83 0.40 -0.34 0.00 0.00 178.44 178.27 2jti h ILE 95 N 0.00 1.47 0.00 4.05 1.08 -1.69 -2.83 117.51 119.59 2jti h ILE 95 Ca -0.02 -2.99 -0.16 0.00 -0.39 0.00 0.00 64.86 61.30 2jti h ILE 95 Cb 1.44 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 37.84 2jti h ILE 95 CO 0.07 0.82 -0.75 0.74 -0.69 0.00 0.00 178.15 178.34 2jti h THR 96 N 0.00 1.48 0.00 -0.27 2.02 -1.61 -3.11 112.91 111.42 2jti h THR 96 Ca -0.01 -2.62 -0.01 0.00 0.77 0.00 0.00 66.41 64.55 2jti h THR 96 Cb 1.61 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 70.45 2jti h THR 96 CO 0.11 0.74 -0.54 0.22 0.37 0.00 0.00 175.52 176.42 2jti h TYR 97 N 0.00 0.00 -0.00 3.16 3.20 -1.58 -3.27 116.97 118.48 2jti h TYR 97 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jti h TYR 97 Cb 1.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.64 2jti h TYR 97 CO 0.00 0.03 -0.24 1.28 -1.64 0.00 0.00 178.16 177.59 2jti n LEU 98 N -2.90 0.54 -0.05 2.82 4.77 -1.07 -3.15 117.00 117.98 2jti n LEU 98 Ca 0.02 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2jti n LEU 98 Cb 0.56 -0.23 -0.17 0.00 -2.33 0.00 0.00 43.42 41.25 2jti n LEU 98 CO 0.37 0.11 -0.93 0.29 -1.33 0.00 0.00 177.39 175.91 2jti n LYS 99 N -1.12 0.67 -0.05 3.23 4.76 -1.18 -3.72 118.16 120.76 2jti n LYS 99 Ca 0.10 -0.12 -0.12 0.00 -2.87 0.00 0.00 58.31 55.30 2jti n LYS 99 Cb 0.32 -1.52 -0.14 0.00 -1.84 0.00 0.00 35.03 31.85 2jti n LYS 99 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jti n LYS 100 N -2.46 0.67 0.10 1.97 4.76 -1.24 -4.37 118.16 117.59 2jti n LYS 100 Ca -0.16 0.20 -0.21 0.00 -2.87 0.00 0.00 58.31 55.28 2jti n LYS 100 Cb 0.82 -1.69 -0.15 0.00 -1.84 0.00 0.00 35.03 32.17 2jti n LYS 100 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jti h ALA 101 N 0.73 0.06 -2.25 7.82 0.00 -1.77 -3.41 119.26 120.44 2jti h ALA 101 Ca -0.40 -0.98 -0.77 0.00 0.00 0.00 0.00 54.91 52.76 2jti h ALA 101 Cb 2.07 0.22 -0.24 0.00 0.00 0.00 0.00 17.79 19.83 2jti h ALA 101 CO 0.05 0.93 -0.15 0.00 0.00 0.00 0.00 179.25 180.08