#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jon s THR 2 N 0.00 1.19 -0.28 0.00 -1.32 -1.26 -5.10 115.64 108.87 2jon s THR 2 Ca 0.00 -0.77 -0.29 0.00 -1.21 0.00 0.00 61.69 59.43 2jon s THR 2 Cb 0.00 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2jon s THR 2 CO 0.00 0.24 1.65 -2.16 -2.21 0.00 0.00 174.62 172.13 2jon s PRO 3 N -0.61 3.63 -0.03 7.08 0.04 -1.26 -4.96 135.00 138.90 2jon s PRO 3 Ca 0.05 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2jon s PRO 3 Cb -0.06 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.34 2jon s PRO 3 CO 0.00 -1.49 1.51 0.99 0.04 0.00 0.00 177.00 178.05 2jon s THR 4 N 5.73 3.62 -0.76 1.26 2.01 -1.26 -4.92 115.64 121.32 2jon s THR 4 Ca 0.73 0.92 -0.25 0.00 0.31 0.00 0.00 61.69 63.39 2jon s THR 4 Cb -0.23 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2jon s THR 4 CO 0.31 -0.04 1.91 -2.16 -0.69 0.00 0.00 174.62 173.95 2jon s PRO 5 N 3.11 2.59 0.03 4.92 0.04 -1.26 -4.97 135.00 139.46 2jon s PRO 5 Ca 0.68 0.14 -0.18 0.00 0.04 0.00 0.00 61.00 61.68 2jon s PRO 5 Cb -0.32 -4.74 -0.06 0.00 0.04 0.00 0.00 34.50 29.41 2jon s PRO 5 CO 0.27 -3.07 0.51 0.99 0.04 0.00 0.00 177.00 175.73 2jon s THR 6 N 9.61 4.88 0.47 1.26 2.01 -1.26 -5.09 115.64 127.52 2jon s THR 6 Ca 0.69 1.07 -0.08 0.00 0.31 0.00 0.00 61.69 63.68 2jon s THR 6 Cb -0.09 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.70 2jon s THR 6 CO 0.09 0.54 0.42 -0.81 -0.69 0.00 0.00 174.62 174.18 2jon n PRO 7 N 1.92 -1.84 -3.77 4.92 -0.04 -1.26 -5.06 135.00 129.87 2jon n PRO 7 Ca -0.11 -0.67 -0.28 0.00 -0.04 0.00 0.00 63.50 62.40 2jon n PRO 7 Cb 0.51 -0.63 -0.16 0.00 -0.04 0.00 0.00 33.50 33.18 2jon n PRO 7 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jon s LYS 8 N -3.95 0.82 0.92 0.54 -0.14 -1.26 -5.14 119.74 111.53 2jon s LYS 8 Ca 0.27 -0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 54.26 2jon s LYS 8 Cb -0.03 -2.17 0.15 0.00 -1.68 0.00 0.00 37.83 34.09 2jon s LYS 8 CO 0.21 -0.63 1.09 0.00 -0.76 0.00 0.00 175.35 175.26 2jon s ALA 9 N 1.78 1.34 1.02 5.17 0.00 -1.26 -4.99 121.76 124.82 2jon s ALA 9 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 2jon s ALA 9 Cb -0.17 -3.22 0.18 0.00 0.00 0.00 0.00 23.12 19.90 2jon s ALA 9 CO -0.08 -2.54 0.94 0.00 0.00 0.00 0.00 175.76 174.09 2jon n ALA 10 N -4.02 -1.89 -1.19 0.00 0.00 -1.26 -4.76 120.51 107.38 2jon n ALA 10 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2jon n ALA 10 Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2jon n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jon n GLY 11 N 0.76 -4.44 3.55 0.00 0.00 -1.26 -4.79 105.19 99.01 2jon n GLY 11 Ca 0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 2jon n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jon s SER 12 N -0.59 -0.91 -0.13 1.61 0.01 -1.26 -4.63 113.70 107.80 2jon s SER 12 Ca 0.00 1.43 -0.02 0.00 1.31 0.00 0.00 55.95 58.67 2jon s SER 12 Cb 0.00 2.02 0.04 0.00 0.21 0.00 0.00 66.02 68.29 2jon s SER 12 CO 0.00 -0.22 -0.01 0.26 0.41 0.00 0.00 173.24 173.68 2jon s TRP 13 N 2.76 1.06 -0.62 2.43 0.51 -1.25 -4.66 118.94 119.17 2jon s TRP 13 Ca -0.05 -0.61 -0.23 0.00 -2.12 0.00 0.00 56.10 53.09 2jon s TRP 13 Cb -0.12 -1.02 0.06 0.00 -0.81 0.00 0.00 33.47 31.59 2jon s TRP 13 CO -0.17 -0.49 0.96 0.00 -0.51 0.00 0.00 176.95 176.74 2jon s VAL 15 N 4.06 0.08 0.03 0.00 -7.23 0.03 -4.74 120.40 112.64 2jon s VAL 15 Ca 0.25 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 2jon s VAL 15 Cb -0.15 -0.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.89 2jon s VAL 15 CO 0.13 -0.38 1.42 -2.16 -0.31 0.00 0.00 175.10 173.81 2jon s PRO 16 N -2.23 4.28 -0.44 4.82 0.04 -1.25 -2.82 135.00 137.41 2jon s PRO 16 Ca -0.07 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 62.67 2jon s PRO 16 Cb -0.02 -3.51 -0.11 0.00 0.04 0.00 0.00 34.50 30.90 2jon s PRO 16 CO -0.01 -0.56 2.29 1.17 0.04 0.00 0.00 177.00 179.93 2jon n LYS 17 N 5.10 1.01 -2.05 4.56 0.00 -1.01 -4.81 118.16 120.96 2jon n LYS 17 Ca 0.13 0.22 -0.28 0.00 0.00 0.00 0.00 58.31 58.38 2jon n LYS 17 Cb 0.43 -2.59 -0.06 0.00 0.00 0.00 0.00 35.03 32.81 2jon n LYS 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jon n PRO 18 N 8.42 1.60 0.00 1.64 -0.04 -1.26 -4.05 135.00 141.31 2jon n PRO 18 Ca 0.43 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 2jon n PRO 18 Cb 0.28 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 2jon n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jon n GLY 19 N 5.76 -1.04 3.77 0.55 0.00 -1.26 -5.18 105.19 107.78 2jon n GLY 19 Ca 0.45 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.75 2jon n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jon s VAL 20 N 0.00 0.00 -0.19 1.61 -7.23 -1.26 -5.11 120.40 108.22 2jon s VAL 20 Ca 0.00 -1.07 -0.37 0.00 -1.81 0.00 0.00 61.98 58.73 2jon s VAL 20 Cb 0.00 -2.77 -0.13 0.00 0.56 0.00 0.00 36.38 34.04 2jon s VAL 20 CO 0.00 0.00 1.86 -1.20 -0.31 0.00 0.00 175.10 175.45 2jon n SER 21 N -1.32 2.93 -0.29 4.85 7.64 -1.26 -4.82 113.62 121.36 2jon n SER 21 Ca -0.07 0.96 0.16 0.00 1.01 0.00 0.00 58.87 60.92 2jon n SER 21 Cb 0.60 -1.27 0.42 0.00 -1.01 0.00 0.00 64.21 62.95 2jon n SER 21 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2jon h ASP 22 N 8.80 0.58 -0.00 6.43 3.32 -2.00 0.47 116.42 134.01 2jon h ASP 22 Ca -0.46 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2jon h ASP 22 Cb 1.29 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2jon h ASP 22 CO 0.96 0.24 0.04 0.44 -1.72 0.00 0.00 179.24 179.20 2jon h ASP 23 N 0.59 0.00 0.02 6.45 3.32 -1.99 0.50 116.42 125.30 2jon h ASP 23 Ca 0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.50 2jon h ASP 23 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2jon h ASP 23 CO -0.25 0.00 -0.20 1.56 -1.72 0.00 0.00 179.24 178.64 2jon h GLN 24 N 0.00 0.10 0.13 3.56 1.08 -0.41 -3.29 115.11 116.28 2jon h GLN 24 Ca 0.00 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2jon h GLN 24 Cb 0.08 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2jon h GLN 24 CO -0.00 0.97 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.72 2jon h LEU 25 N -0.71 -0.15 -0.87 1.46 -0.00 -1.37 -3.27 115.31 110.40 2jon h LEU 25 Ca -0.03 -0.40 0.22 0.00 -0.00 0.00 0.00 57.88 57.66 2jon h LEU 25 Cb 1.05 0.04 -0.16 0.00 -0.00 0.00 0.00 40.66 41.58 2jon h LEU 25 CO 0.04 0.39 -0.07 1.07 -0.00 0.00 0.00 178.44 179.87 2jon n THR 26 N -4.91 -0.37 -0.32 0.22 5.66 0.10 0.12 114.28 114.79 2jon n THR 26 Ca -0.08 1.95 0.18 0.00 -3.05 0.00 0.00 64.05 63.05 2jon n THR 26 Cb 0.27 -2.80 0.37 0.00 -1.55 0.00 0.00 70.33 66.63 2jon n THR 26 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2jon h GLY 27 N 0.00 1.74 -0.01 1.09 0.00 -1.62 -2.46 103.07 101.81 2jon h GLY 27 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2jon h GLY 27 CO -0.85 -0.36 -0.03 3.43 0.00 0.00 0.00 176.54 178.73 2jon h ASN 28 N 0.36 -0.09 -0.99 0.19 2.35 0.83 -1.28 115.58 116.94 2jon h ASN 28 Ca 0.63 0.01 0.12 0.00 -0.55 0.00 0.00 56.30 56.51 2jon h ASN 28 Cb 1.31 0.04 -0.14 0.00 0.05 0.00 0.00 38.32 39.58 2jon h ASN 28 CO -0.58 -0.02 -0.51 0.40 -1.65 0.00 0.00 177.43 175.07 2jon h ILE 29 N -0.03 0.00 -0.92 2.81 2.04 -1.55 0.76 117.51 120.62 2jon h ILE 29 Ca 0.00 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.12 2jon h ILE 29 Cb 0.03 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 35.98 2jon h ILE 29 CO -0.03 0.00 0.38 -1.13 0.00 0.00 0.00 178.15 177.37 2jon h ASN 30 N -0.00 0.25 0.26 1.72 -0.73 -1.35 0.42 115.58 116.14 2jon h ASN 30 Ca 0.24 0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.58 2jon h ASN 30 Cb 0.49 0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.27 2jon h ASN 30 CO -0.96 -0.10 -0.13 0.22 -0.37 0.00 0.00 177.43 176.10 2jon h TYR 31 N 0.31 -0.33 -0.43 0.67 3.20 0.15 -3.22 116.97 117.32 2jon h TYR 31 Ca 0.60 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.59 2jon h TYR 31 Cb 1.24 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 2jon h TYR 31 CO -0.16 -0.09 0.54 0.00 -1.64 0.00 0.00 178.16 176.81 2jon h ALA 32 N -0.88 2.11 0.00 1.82 0.00 0.33 0.60 119.26 123.25 2jon h ALA 32 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jon h ALA 32 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jon h ALA 32 CO 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.55 2jon n SER 34 N -0.89 3.23 -0.11 0.00 2.88 0.21 -4.41 113.62 114.53 2jon n SER 34 Ca 0.10 -1.93 -0.21 0.00 -1.33 0.00 0.00 58.87 55.50 2jon n SER 34 Cb 0.05 -0.24 -0.12 0.00 -0.75 0.00 0.00 64.21 63.15 2jon n SER 34 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jon n GLN 35 N 1.23 0.65 0.00 -1.46 0.00 -0.77 -5.04 117.38 111.98 2jon n GLN 35 Ca 0.17 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.38 2jon n GLN 35 Cb 0.53 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.22 2jon n GLN 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jon n GLY 36 N 1.95 3.49 0.14 1.69 0.00 -1.26 -4.88 105.19 106.32 2jon n GLY 36 Ca -0.45 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 44.66 2jon n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jon n ILE 37 N 0.00 0.06 -0.08 -0.61 -5.35 -1.26 -3.90 119.36 108.22 2jon n ILE 37 Ca 0.00 -0.09 -0.08 0.00 -0.27 0.00 0.00 62.75 62.32 2jon n ILE 37 Cb 0.00 -0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 37.76 2jon n ILE 37 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2jon h ASP 38 N 0.53 0.00 -2.95 7.28 3.58 -1.90 -3.41 116.42 119.54 2jon h ASP 38 Ca 0.00 -0.10 -0.57 0.00 0.42 0.00 0.00 57.03 56.78 2jon h ASP 38 Cb 0.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2jon h ASP 38 CO 0.00 0.88 0.90 0.00 -2.88 0.00 0.00 179.24 178.14 2jon n GLY 40 N 3.68 2.23 0.00 0.00 0.00 -1.26 -4.83 105.19 105.02 2jon n GLY 40 Ca 0.14 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.50 2jon n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jon n PRO 41 N 0.00 0.45 -0.12 1.61 -0.04 -1.26 -2.98 135.00 132.66 2jon n PRO 41 Ca 0.00 0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2jon n PRO 41 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2jon n PRO 41 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2jon n ILE 42 N -1.04 0.37 -2.54 0.52 -5.35 -1.23 -4.73 119.36 105.36 2jon n ILE 42 Ca 0.11 -0.20 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 2jon n ILE 42 Cb 0.06 -0.35 -0.04 0.00 -1.74 0.00 0.00 39.64 37.57 2jon n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jon s GLN 43 N -1.40 4.66 1.11 6.28 -1.52 -1.16 -4.64 119.66 122.99 2jon s GLN 43 Ca 0.08 1.71 -0.16 0.00 -1.95 0.00 0.00 55.36 55.04 2jon s GLN 43 Cb 0.06 -3.25 0.24 0.00 -0.22 0.00 0.00 33.01 29.84 2jon s GLN 43 CO 0.03 0.20 1.10 -1.25 -0.25 0.00 0.00 175.29 175.12 2jon s PRO 44 N -0.88 -0.46 -0.03 2.91 0.04 -1.26 -5.03 135.00 130.29 2jon s PRO 44 Ca 0.46 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.71 2jon s PRO 44 Cb -0.30 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2jon s PRO 44 CO 0.37 -3.26 -0.01 0.41 0.04 0.00 0.00 177.00 174.54 2jon n GLY 45 N -1.02 -0.07 0.00 0.56 0.00 -1.26 -5.05 105.19 98.35 2jon n GLY 45 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jon n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jon n GLY 46 N 3.13 0.93 0.09 -0.02 0.00 -1.26 -5.00 105.19 103.06 2jon n GLY 46 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2jon n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 47 N 0.00 -0.93 -0.12 4.61 0.00 -1.97 -3.34 119.26 117.51 2jon h ALA 47 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jon h ALA 47 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jon h ALA 47 CO 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 179.25 178.33 2jon h PHE 49 N 0.82 -0.60 -3.34 0.00 3.57 -1.95 -3.42 116.94 112.02 2jon h PHE 49 Ca 0.00 -0.00 -0.59 0.00 3.53 0.00 0.00 57.97 60.91 2jon h PHE 49 Cb 1.08 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.95 2jon h PHE 49 CO 0.20 -0.32 -0.26 -1.21 -2.23 0.00 0.00 178.31 174.50 2jon s GLU 50 N -4.27 4.26 0.50 1.11 2.02 -1.26 -0.74 118.70 120.32 2jon s GLU 50 Ca -0.08 0.20 -0.21 0.00 0.02 0.00 0.00 54.97 54.89 2jon s GLU 50 Cb 0.01 -3.45 -0.07 0.00 0.10 0.00 0.00 34.13 30.73 2jon s GLU 50 CO 0.26 0.16 1.15 -1.25 0.02 0.00 0.00 175.26 175.60 2jon s PRO 51 N 0.69 3.58 -0.06 0.39 0.04 -1.26 -5.06 135.00 133.31 2jon s PRO 51 Ca 0.19 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 2jon s PRO 51 Cb -0.14 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2jon s PRO 51 CO 0.06 -0.69 0.08 1.21 0.04 0.00 0.00 177.00 177.71 2jon s ASN 52 N -1.54 5.83 0.52 6.66 2.47 0.08 -5.04 114.94 123.92 2jon s ASN 52 Ca 0.68 0.26 -0.00 0.00 0.42 0.00 0.00 52.86 54.22 2jon s ASN 52 Cb -0.26 -1.75 0.02 0.00 -1.45 0.00 0.00 41.25 37.80 2jon s ASN 52 CO 0.31 0.34 0.75 0.42 -3.72 0.00 0.00 177.10 175.21 2jon s THR 53 N -1.07 3.27 0.01 -5.21 -4.23 -1.26 -5.02 115.64 102.14 2jon s THR 53 Ca 0.18 -0.53 -0.24 0.00 -1.18 0.00 0.00 61.69 59.92 2jon s THR 53 Cb -0.12 -3.23 -0.13 0.00 1.34 0.00 0.00 72.50 70.36 2jon s THR 53 CO 0.08 -0.17 1.08 0.58 -0.54 0.00 0.00 174.62 175.65 2jon h VAL 54 N 0.16 0.00 -0.04 2.29 2.07 -1.99 -3.01 116.25 115.73 2jon h VAL 54 Ca -0.44 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2jon h VAL 54 Cb 1.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2jon h VAL 54 CO 0.55 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.43 2jon n LYS 55 N -5.01 1.21 -0.29 1.57 0.00 -1.26 -4.21 118.16 110.16 2jon n LYS 55 Ca -0.11 -0.18 0.09 0.00 -0.00 0.00 0.00 58.31 58.11 2jon n LYS 55 Cb 0.34 -1.44 0.25 0.00 -0.00 0.00 0.00 35.03 34.17 2jon n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jon h ALA 56 N 2.32 1.30 0.21 0.58 0.00 -1.92 -1.88 119.26 119.86 2jon h ALA 56 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jon h ALA 56 Cb 0.48 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2jon h ALA 56 CO 0.02 -0.19 -0.36 0.45 0.00 0.00 0.00 179.25 179.17 2jon h HIS 57 N 0.53 -1.00 -1.00 0.00 3.86 -1.82 -1.54 115.15 114.17 2jon h HIS 57 Ca 0.49 0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.96 2jon h HIS 57 Cb 0.78 0.41 -0.09 0.00 1.06 0.00 0.00 27.41 29.57 2jon h HIS 57 CO -0.12 -0.48 0.64 0.00 0.86 0.00 0.00 177.93 178.83 2jon h ALA 58 N -0.13 2.15 -0.77 2.45 0.00 -1.69 0.13 119.26 121.41 2jon h ALA 58 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jon h ALA 58 Cb 0.64 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2jon h ALA 58 CO -0.16 -0.52 0.49 0.00 0.00 0.00 0.00 179.25 179.06 2jon h ALA 59 N 1.62 0.97 0.53 0.00 0.00 -0.89 0.16 119.26 121.65 2jon h ALA 59 Ca 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 2jon h ALA 59 Cb 1.34 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jon h ALA 59 CO -0.28 0.41 -0.25 -0.92 0.00 0.00 0.00 179.25 178.20 2jon h TYR 60 N 1.04 -0.66 -0.83 0.00 5.03 -0.42 -3.20 116.97 117.94 2jon h TYR 60 Ca 0.28 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.70 2jon h TYR 60 Cb -0.09 0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.34 2jon h TYR 60 CO -0.02 -0.35 0.54 -0.24 -1.32 0.00 0.00 178.16 176.77 2jon h VAL 61 N -1.10 0.88 -0.48 1.81 3.04 -1.35 -0.45 116.25 118.59 2jon h VAL 61 Ca -0.07 -0.23 0.14 0.00 -1.01 0.00 0.00 66.70 65.52 2jon h VAL 61 Cb 0.60 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 2jon h VAL 61 CO 0.12 0.12 0.77 0.24 -1.01 0.00 0.00 177.57 177.81 2jon h MET 62 N 0.68 0.00 0.41 4.17 2.86 -0.67 0.39 114.93 122.78 2jon h MET 62 Ca 0.40 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2jon h MET 62 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2jon h MET 62 CO -0.17 0.00 -0.20 -0.97 1.06 0.00 0.00 176.91 176.64 2jon h ASN 63 N 0.00 -0.47 -0.15 1.22 -1.24 -1.19 -2.05 115.58 111.70 2jon h ASN 63 Ca 0.23 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.17 2jon h ASN 63 Cb 1.77 0.12 -0.00 0.00 0.73 0.00 0.00 38.32 40.94 2jon h ASN 63 CO -0.00 -0.16 -0.23 0.17 -1.29 0.00 0.00 177.43 175.92 2jon h LEU 64 N -0.91 0.47 -0.27 0.34 -0.00 -1.32 -3.20 115.31 110.42 2jon h LEU 64 Ca -0.06 -0.53 0.06 0.00 -0.00 0.00 0.00 57.88 57.36 2jon h LEU 64 Cb 0.43 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.89 2jon h LEU 64 CO 0.09 0.91 -0.12 0.22 -0.00 0.00 0.00 178.44 179.54 2jon h TYR 65 N 0.05 -0.28 -0.64 0.17 5.03 -0.44 0.44 116.97 121.30 2jon h TYR 65 Ca 0.01 0.03 0.18 0.00 2.58 0.00 0.00 58.73 61.54 2jon h TYR 65 Cb 0.81 0.17 -0.03 0.00 1.55 0.00 0.00 36.73 39.23 2jon h TYR 65 CO 0.09 -0.18 0.49 -0.92 -1.32 0.00 0.00 178.16 176.32 2jon h TYR 66 N -0.08 0.00 -0.02 -3.82 5.03 -1.41 0.60 116.97 117.28 2jon h TYR 66 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2jon h TYR 66 Cb 0.29 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.57 2jon h TYR 66 CO -0.31 0.00 -0.39 1.04 -1.32 0.00 0.00 178.16 177.18 2jon n GLN 67 N -4.20 1.36 -0.06 1.82 6.02 0.10 -1.50 117.38 120.92 2jon n GLN 67 Ca 0.12 -1.11 -0.15 0.00 -0.01 0.00 0.00 57.00 55.85 2jon n GLN 67 Cb 0.74 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.46 2jon n GLN 67 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2jon h HIS 68 N 2.72 0.87 0.20 1.08 2.76 0.46 -3.36 115.15 119.87 2jon h HIS 68 Ca 0.00 -0.32 -0.01 0.00 -2.20 0.00 0.00 60.37 57.84 2jon h HIS 68 Cb 0.78 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2jon h HIS 68 CO 0.00 1.10 -0.10 0.00 -1.30 0.00 0.00 177.93 177.63 2jon h ALA 69 N 0.61 -0.27 0.00 5.26 0.00 -1.73 -3.46 119.26 119.67 2jon h ALA 69 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jon h ALA 69 Cb 1.05 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jon h ALA 69 CO 0.10 -0.25 -0.03 0.41 0.00 0.00 0.00 179.25 179.48 2jon n GLY 70 N 1.09 0.14 3.88 0.00 0.00 -1.26 -4.99 105.19 104.06 2jon n GLY 70 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2jon n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jon n ARG 71 N 0.00 -4.91 -3.91 1.61 1.74 -0.56 -4.96 116.66 105.67 2jon n ARG 71 Ca -0.03 0.56 -0.24 0.00 -0.77 0.00 0.00 57.85 57.37 2jon n ARG 71 Cb 0.23 -5.41 -0.05 0.00 -1.02 0.00 0.00 32.46 26.21 2jon n ARG 71 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2jon s ASN 72 N -3.21 4.66 0.44 0.55 0.01 -1.24 -4.96 114.94 111.20 2jon s ASN 72 Ca 0.65 -1.02 0.24 0.00 -0.71 0.00 0.00 52.86 52.02 2jon s ASN 72 Cb -0.33 -0.30 0.91 0.00 0.41 0.00 0.00 41.25 41.94 2jon s ASN 72 CO 0.80 -0.70 1.82 0.77 -1.51 0.00 0.00 177.10 178.27 2jon h SER 73 N 1.16 0.00 -0.01 -1.22 4.64 -1.93 -2.51 113.55 113.69 2jon h SER 73 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2jon h SER 73 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jon h SER 73 CO 0.63 0.21 0.00 -2.67 -0.87 0.00 0.00 176.83 174.14 2jon n TRP 74 N -3.36 0.01 0.19 4.77 2.14 -1.26 -3.38 117.44 116.55 2jon n TRP 74 Ca 0.00 -0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.64 2jon n TRP 74 Cb 0.43 0.00 0.32 0.00 -0.81 0.00 0.00 31.31 31.25 2jon n TRP 74 CO 0.00 0.00 0.00 -0.97 2.07 0.00 0.00 177.69 178.79 2jon h ASN 75 N 0.18 0.00 -2.69 -0.67 -1.24 -1.75 -3.41 115.58 106.00 2jon h ASN 75 Ca 0.00 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.44 2jon h ASN 75 Cb 0.04 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.99 2jon h ASN 75 CO 0.00 0.32 0.88 0.00 -1.29 0.00 0.00 177.43 177.35 2jon n ASP 77 N 8.64 2.27 0.09 0.00 8.00 -1.26 -4.80 116.55 129.49 2jon n ASP 77 Ca 0.03 -2.14 -0.04 0.00 0.71 0.00 0.00 54.79 53.35 2jon n ASP 77 Cb 0.48 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 2jon n ASP 77 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jon h PHE 78 N 0.44 -0.25 -2.30 1.24 -1.00 -1.86 -3.49 116.94 109.72 2jon h PHE 78 Ca 0.00 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.02 2jon h PHE 78 Cb 0.62 0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.22 2jon h PHE 78 CO 0.06 -0.14 0.71 0.45 -1.61 0.00 0.00 178.31 177.78 2jon s SER 79 N -2.46 -0.01 0.00 2.17 0.15 -1.26 -4.69 113.70 107.60 2jon s SER 79 Ca -0.04 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.24 2jon s SER 79 Cb 0.01 0.35 0.47 0.00 -1.71 0.00 0.00 66.02 65.14 2jon s SER 79 CO 0.11 -0.69 1.02 1.67 1.20 0.00 0.00 173.24 176.55 2jon n GLN 80 N -0.74 0.21 -0.10 5.44 7.27 -1.26 -2.65 117.38 125.55 2jon n GLN 80 Ca -0.01 0.07 -0.19 0.00 0.07 0.00 0.00 57.00 56.94 2jon n GLN 80 Cb 0.59 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 31.66 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jon n THR 81 N -1.10 1.51 -2.68 1.69 -2.24 -1.26 -4.81 114.28 105.39 2jon n THR 81 Ca 0.06 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2jon n THR 81 Cb 0.04 -2.11 -0.03 0.00 -2.10 0.00 0.00 70.33 66.13 2jon n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jon s ALA 82 N -2.51 3.06 0.36 6.98 0.00 -1.08 -2.40 121.76 126.17 2jon s ALA 82 Ca -0.28 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 2jon s ALA 82 Cb 0.07 -3.92 0.03 0.00 0.00 0.00 0.00 23.12 19.30 2jon s ALA 82 CO 0.48 -2.55 0.64 -0.08 0.00 0.00 0.00 175.76 174.25 2jon s THR 83 N 4.56 0.00 0.00 0.00 -1.32 -1.13 -4.42 115.64 113.34 2jon s THR 83 Ca 0.38 -1.26 -0.30 0.00 -1.21 0.00 0.00 61.69 59.29 2jon s THR 83 Cb -0.09 -2.72 -0.06 0.00 -1.51 0.00 0.00 72.50 68.11 2jon s THR 83 CO 0.23 0.00 1.57 -0.76 -2.21 0.00 0.00 174.62 173.45 2jon s LEU 84 N -3.13 4.33 0.39 9.08 1.43 -1.26 -0.79 118.68 128.74 2jon s LEU 84 Ca 0.22 2.28 0.08 0.00 -1.03 0.00 0.00 54.13 55.68 2jon s LEU 84 Cb -0.03 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 2jon s LEU 84 CO 0.15 -0.85 0.43 0.28 0.23 0.00 0.00 176.35 176.59 2jon s THR 85 N 3.05 3.07 0.00 5.49 -1.32 0.11 -4.91 115.64 121.13 2jon s THR 85 Ca 0.70 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2jon s THR 85 Cb -0.35 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2jon s THR 85 CO 0.29 -0.05 0.00 0.59 -2.21 0.00 0.00 174.62 173.25 2jon n ASN 86 N -1.62 -1.10 -4.05 8.08 3.02 -1.26 -3.77 115.26 114.55 2jon n ASN 86 Ca 0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2jon n ASN 86 Cb 0.60 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2jon n THR 87 N -2.27 0.00 -1.48 3.41 5.66 -1.26 -4.45 114.28 113.89 2jon n THR 87 Ca 0.00 -0.10 -0.46 0.00 -3.05 0.00 0.00 64.05 60.44 2jon n THR 87 Cb 0.00 -0.21 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 2jon n THR 87 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jon n ASN 88 N 1.62 2.03 0.00 1.09 4.05 -1.26 -4.77 115.26 118.02 2jon n ASN 88 Ca -0.01 0.20 0.06 0.00 0.45 0.00 0.00 54.58 55.28 2jon n ASN 88 Cb 0.66 -1.30 0.35 0.00 1.23 0.00 0.00 39.78 40.71 2jon n ASN 88 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jon n PRO 89 N 8.43 0.49 -1.49 1.20 -0.04 -1.26 -4.79 135.00 137.54 2jon n PRO 89 Ca 0.43 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.43 2jon n PRO 89 Cb 0.28 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 2jon n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jon n SER 90 N -0.87 1.98 0.14 3.54 2.88 -1.26 -4.78 113.62 115.25 2jon n SER 90 Ca 0.09 0.15 0.13 0.00 -1.33 0.00 0.00 58.87 57.91 2jon n SER 90 Cb 0.04 -1.31 0.37 0.00 -0.75 0.00 0.00 64.21 62.56 2jon n SER 90 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 2jon h TYR 91 N 14.17 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 126.44 2jon h TYR 91 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.49 2jon h TYR 91 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 2jon h TYR 91 CO 0.98 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.55 2jon n GLY 92 N 1.08 -0.64 0.31 0.10 0.00 -1.26 -4.96 105.19 99.82 2jon n GLY 92 Ca 0.05 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 2jon n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 93 N 0.00 1.33 -1.50 4.61 0.00 -2.02 -3.39 119.26 118.29 2jon h ALA 93 Ca 0.00 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 2jon h ALA 93 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 2jon h ALA 93 CO 0.00 0.50 1.13 0.00 0.00 0.00 0.00 179.25 180.88 2jon s ASN 95 N 4.84 6.50 0.35 0.00 0.01 -1.26 -3.89 114.94 121.49 2jon s ASN 95 Ca 0.49 0.60 -0.02 0.00 -0.71 0.00 0.00 52.86 53.22 2jon s ASN 95 Cb -0.10 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 2jon s ASN 95 CO 0.21 0.37 0.59 -0.36 -1.51 0.00 0.00 177.10 176.40 2jon s PHE 96 N -1.07 3.50 -0.25 2.20 0.40 -1.26 -5.03 117.98 116.47 2jon s PHE 96 Ca 0.18 0.53 -0.29 0.00 -0.60 0.00 0.00 56.93 56.75 2jon s PHE 96 Cb -0.13 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 2jon s PHE 96 CO 0.08 0.08 1.63 -1.25 0.70 0.00 0.00 175.22 176.45 2jon s PRO 97 N -4.10 3.71 0.00 0.24 0.04 -1.26 -4.86 135.00 128.77 2jon s PRO 97 Ca 0.43 1.58 0.24 0.00 0.04 0.00 0.00 61.00 63.28 2jon s PRO 97 Cb -0.10 -4.06 0.79 0.00 0.04 0.00 0.00 34.50 31.17 2jon s PRO 97 CO 0.35 -1.40 1.58 -1.13 0.04 0.00 0.00 177.00 176.45 2jon n SER 98 N 8.75 1.84 -0.53 6.66 3.41 -1.26 -4.12 113.62 128.35 2jon n SER 98 Ca 0.19 -1.68 -0.03 0.00 -0.26 0.00 0.00 58.87 57.09 2jon n SER 98 Cb 0.46 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2jon n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jon n GLY 99 N 1.19 0.38 3.09 5.00 0.00 -1.26 -4.83 105.19 108.76 2jon n GLY 99 Ca 0.17 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.51 2jon n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jon s SER 100 N -2.91 -1.03 0.00 1.61 0.01 -1.26 -4.93 113.70 105.19 2jon s SER 100 Ca 0.03 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2jon s SER 100 Cb -0.01 1.88 0.00 0.00 0.21 0.00 0.00 66.02 68.10 2jon s SER 100 CO 0.03 -0.28 0.00 -3.20 0.41 0.00 0.00 173.24 170.20