#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 5.24 -0.64 0.00 2.01 -1.26 -5.02 115.64 115.97 2jon s THR 2 Ca 0.00 0.59 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 2jon s THR 2 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2jon s THR 2 CO 0.00 0.52 1.87 -2.16 -0.69 0.00 0.00 174.62 174.16 2jon s PRO 3 N -0.51 2.62 0.48 4.92 0.04 -1.26 -4.98 135.00 136.32 2jon s PRO 3 Ca 0.19 0.53 -0.20 0.00 0.04 0.00 0.00 61.00 61.56 2jon s PRO 3 Cb -0.14 -4.45 -0.08 0.00 0.04 0.00 0.00 34.50 29.87 2jon s PRO 3 CO 0.08 -2.79 1.04 0.95 0.04 0.00 0.00 177.00 176.32 2jon s THR 4 N 9.18 3.76 0.65 1.26 -4.23 -1.26 -5.03 115.64 119.98 2jon s THR 4 Ca 0.67 1.11 -0.15 0.00 -1.18 0.00 0.00 61.69 62.15 2jon s THR 4 Cb -0.12 -3.46 -0.00 0.00 1.34 0.00 0.00 72.50 70.26 2jon s THR 4 CO 0.19 -0.22 1.11 -2.16 -0.54 0.00 0.00 174.62 173.00 2jon s PRO 5 N -3.18 2.83 0.50 3.99 0.04 -1.26 -5.01 135.00 132.91 2jon s PRO 5 Ca 0.67 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.90 2jon s PRO 5 Cb -0.17 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2jon s PRO 5 CO 0.21 -1.23 1.13 0.95 0.04 0.00 0.00 177.00 178.10 2jon s THR 6 N -2.31 3.24 0.00 1.26 -4.23 -1.26 -5.04 115.64 107.29 2jon s THR 6 Ca 0.67 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 2jon s THR 6 Cb -0.21 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2jon s THR 6 CO 0.41 -0.10 0.00 -0.81 -0.54 0.00 0.00 174.62 173.57 2jon n PRO 7 N -0.90 -0.81 -3.62 3.99 -0.04 -1.26 -5.01 135.00 127.35 2jon n PRO 7 Ca 0.09 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 2jon n PRO 7 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 2jon n PRO 7 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jon s LYS 8 N -2.68 3.74 -0.23 0.54 2.20 -1.26 -5.03 119.74 117.01 2jon s LYS 8 Ca 0.00 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 2jon s LYS 8 Cb 0.00 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.63 2jon s LYS 8 CO 0.00 -0.26 2.16 0.00 -0.36 0.00 0.00 175.35 176.90 2jon n ALA 9 N 5.03 1.44 -3.76 3.13 0.00 -1.26 -4.88 120.51 120.21 2jon n ALA 9 Ca -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.17 2jon n ALA 9 Cb 0.51 -2.74 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 2jon n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon s ALA 10 N 7.32 -1.72 0.29 0.00 0.00 -1.26 -5.16 121.76 121.23 2jon s ALA 10 Ca 1.02 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 2jon s ALA 10 Cb -0.55 0.63 -0.10 0.00 0.00 0.00 0.00 23.12 23.10 2jon s ALA 10 CO 0.42 -1.05 0.94 0.20 0.00 0.00 0.00 175.76 176.27 2jon s GLY 11 N -3.04 2.91 -0.20 0.00 0.00 -1.26 -5.06 107.32 100.68 2jon s GLY 11 Ca 0.14 0.55 -0.10 0.00 0.00 0.00 0.00 44.72 45.32 2jon s GLY 11 CO 0.02 1.04 0.47 -0.56 0.00 0.00 0.00 173.10 174.07 2jon s SER 12 N -1.46 -0.55 -0.17 1.64 0.01 -1.26 -4.62 113.70 107.30 2jon s SER 12 Ca 0.47 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.79 2jon s SER 12 Cb -0.21 1.13 0.04 0.00 0.21 0.00 0.00 66.02 67.19 2jon s SER 12 CO 0.27 -0.21 -0.10 0.26 0.41 0.00 0.00 173.24 173.87 2jon s TRP 13 N 1.89 2.10 -0.52 2.43 0.51 -1.25 -4.80 118.94 119.31 2jon s TRP 13 Ca -0.07 -1.30 -0.22 0.00 -2.12 0.00 0.00 56.10 52.39 2jon s TRP 13 Cb -0.09 -1.51 0.05 0.00 -0.81 0.00 0.00 33.47 31.10 2jon s TRP 13 CO -0.14 -0.68 0.79 0.00 -0.51 0.00 0.00 176.95 176.41 2jon s VAL 15 N 3.31 0.03 0.05 0.00 -7.23 -0.05 -4.77 120.40 111.74 2jon s VAL 15 Ca 0.24 -0.26 -0.31 0.00 -1.81 0.00 0.00 61.98 59.84 2jon s VAL 15 Cb -0.15 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.82 2jon s VAL 15 CO 0.17 -0.14 1.41 -2.16 -0.31 0.00 0.00 175.10 174.06 2jon s PRO 16 N -1.87 4.30 -0.28 4.82 0.04 -1.25 -2.95 135.00 137.81 2jon s PRO 16 Ca -0.09 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.63 2jon s PRO 16 Cb -0.01 -3.44 -0.12 0.00 0.04 0.00 0.00 34.50 30.97 2jon s PRO 16 CO 0.03 -0.52 2.06 1.63 0.04 0.00 0.00 177.00 180.24 2jon n LYS 17 N 4.76 1.37 -2.06 4.56 4.76 -1.07 -4.81 118.16 125.67 2jon n LYS 17 Ca 0.12 0.43 -0.28 0.00 -2.87 0.00 0.00 58.31 55.71 2jon n LYS 17 Cb 0.43 -2.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.06 2jon n LYS 17 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2jon n PRO 18 N 7.51 1.61 0.00 1.97 -0.04 -1.26 -2.80 135.00 141.98 2jon n PRO 18 Ca 0.34 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 2jon n PRO 18 Cb 0.24 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 29.97 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 5.77 0.12 3.47 0.55 0.00 -1.26 -5.16 105.19 108.69 2jon n GLY 19 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 2jon n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jon n VAL 20 N 0.00 0.00 -1.53 1.61 0.31 -1.12 -4.78 118.33 112.82 2jon n VAL 20 Ca 0.00 -0.37 -0.49 0.00 -0.01 0.00 0.00 64.34 63.47 2jon n VAL 20 Cb 0.00 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 2jon n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jon n SER 21 N -4.47 2.63 -0.28 4.52 7.64 -1.26 -4.83 113.62 117.57 2jon n SER 21 Ca 0.04 0.45 -0.07 0.00 1.01 0.00 0.00 58.87 60.30 2jon n SER 21 Cb 0.54 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.32 2jon n SER 21 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jon n ASP 22 N 9.76 -0.71 -0.34 6.43 8.00 -1.26 0.23 116.55 138.67 2jon n ASP 22 Ca 0.35 1.27 0.22 0.00 0.71 0.00 0.00 54.79 57.34 2jon n ASP 22 Cb 0.29 -0.19 0.46 0.00 -0.02 0.00 0.00 41.12 41.67 2jon n ASP 22 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2jon h ASP 23 N 0.00 0.53 0.02 -2.24 3.58 -1.97 0.22 116.42 116.57 2jon h ASP 23 Ca 0.11 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 2jon h ASP 23 Cb 0.27 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2jon h ASP 23 CO -0.63 0.05 -0.01 -0.61 -2.88 0.00 0.00 179.24 175.16 2jon h GLN 24 N 0.44 -0.03 0.00 0.28 5.75 0.26 -2.38 115.11 119.42 2jon h GLN 24 Ca 0.65 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 59.11 2jon h GLN 24 Cb 1.49 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.05 2jon h GLN 24 CO -0.42 -0.00 -0.21 -0.07 -2.65 0.00 0.00 178.83 175.48 2jon h LEU 25 N -0.05 0.00 0.00 -2.39 -0.00 -0.25 -2.74 115.31 109.89 2jon h LEU 25 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jon h LEU 25 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2jon h LEU 25 CO 0.01 0.21 0.00 0.41 -0.00 0.00 0.00 178.44 179.06 2jon n THR 26 N -3.39 0.00 -0.04 0.22 -1.04 0.55 -2.17 114.28 108.40 2jon n THR 26 Ca -0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2jon n THR 26 Cb 0.41 -0.84 -0.14 0.00 -1.82 0.00 0.00 70.33 67.94 2jon n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jon n GLY 27 N -0.36 -0.71 0.23 3.41 0.00 -1.03 -4.03 105.19 102.69 2jon n GLY 27 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 2jon n GLY 27 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jon h ASN 28 N 0.03 0.32 0.87 1.61 7.08 -1.62 -2.22 115.58 121.65 2jon h ASN 28 Ca -0.43 0.06 -0.04 0.00 -3.08 0.00 0.00 56.30 52.81 2jon h ASN 28 Cb 2.04 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 38.29 2jon h ASN 28 CO 0.05 0.20 -0.46 0.40 -2.08 0.00 0.00 177.43 175.54 2jon h ILE 29 N 0.48 0.07 -1.00 6.14 2.04 -1.75 0.21 117.51 123.70 2jon h ILE 29 Ca 0.29 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.47 2jon h ILE 29 Cb 0.29 0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 36.29 2jon h ILE 29 CO -0.25 0.00 0.57 -1.13 0.00 0.00 0.00 178.15 177.34 2jon h ASN 30 N -1.22 0.51 0.29 1.72 -1.24 -1.65 0.60 115.58 114.60 2jon h ASN 30 Ca -0.12 0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 2jon h ASN 30 Cb 0.95 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.15 2jon h ASN 30 CO 0.17 -0.14 -0.14 0.22 -1.29 0.00 0.00 177.43 176.25 2jon h TYR 31 N 0.32 -0.36 -0.51 0.67 3.20 -1.05 -3.25 116.97 115.99 2jon h TYR 31 Ca 0.74 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.75 2jon h TYR 31 Cb 1.69 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 40.06 2jon h TYR 31 CO -0.01 -0.22 0.50 0.00 -1.64 0.00 0.00 178.16 176.79 2jon h ALA 32 N -1.17 2.27 0.00 1.82 0.00 0.29 0.55 119.26 123.00 2jon h ALA 32 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jon h ALA 32 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 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 -0.92 3.32 -0.12 0.00 7.64 0.19 -4.47 113.62 119.27 2jon n SER 34 Ca 0.11 -1.98 -0.23 0.00 1.01 0.00 0.00 58.87 57.77 2jon n SER 34 Cb 0.05 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.81 2jon n SER 34 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jon n GLN 35 N 1.01 0.63 0.00 1.43 0.00 -0.74 -5.05 117.38 114.66 2jon n GLN 35 Ca 0.17 0.24 0.00 0.00 -0.00 0.00 0.00 57.00 57.41 2jon n GLN 35 Cb 0.51 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.20 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 1.78 3.56 0.14 1.69 0.00 -1.26 -4.89 105.19 106.21 2jon n GLY 36 Ca -0.47 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 0.09 -0.06 -0.61 -5.35 -1.26 -3.94 119.36 108.23 2jon n ILE 37 Ca 0.00 -0.10 -0.04 0.00 -0.27 0.00 0.00 62.75 62.34 2jon n ILE 37 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 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 0.48 0.00 -2.96 7.28 1.82 -1.91 -3.41 116.42 117.72 2jon h ASP 38 Ca 0.00 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.07 2jon h ASP 38 Cb 0.11 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.08 2jon h ASP 38 CO 0.00 0.68 0.91 0.00 -1.61 0.00 0.00 179.24 179.22 2jon n GLY 40 N 3.74 2.37 0.00 0.00 0.00 -1.26 -4.84 105.19 105.19 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 0.43 -0.09 1.61 -0.04 -1.25 -2.88 135.00 132.77 2jon n PRO 41 Ca 0.00 0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 2jon n PRO 41 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.05 0.27 -2.53 0.52 -5.35 -1.24 -4.73 119.36 105.25 2jon n ILE 42 Ca 0.11 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 2jon n ILE 42 Cb 0.07 -0.19 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.56 4.40 1.10 6.28 -1.52 -1.14 -4.69 119.66 122.54 2jon s GLN 43 Ca 0.08 1.60 -0.16 0.00 -1.95 0.00 0.00 55.36 54.93 2jon s GLN 43 Cb 0.05 -3.51 0.24 0.00 -0.22 0.00 0.00 33.01 29.57 2jon s GLN 43 CO 0.04 -0.34 1.10 -1.25 -0.25 0.00 0.00 175.29 174.58 2jon s PRO 44 N 1.86 -0.43 -0.05 2.91 0.04 -1.26 -5.03 135.00 133.04 2jon s PRO 44 Ca 0.54 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.81 2jon s PRO 44 Cb -0.24 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2jon s PRO 44 CO 0.23 -3.24 -0.04 0.41 0.04 0.00 0.00 177.00 174.40 2jon n GLY 45 N -1.00 -0.08 0.00 0.56 0.00 -1.26 -5.06 105.19 98.35 2jon n GLY 45 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 3.22 2.18 0.07 -0.02 0.00 -1.26 -5.00 105.19 104.37 2jon n GLY 46 Ca -0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.37 -0.07 4.61 0.00 -1.97 -3.25 119.26 118.21 2jon h ALA 47 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jon h ALA 47 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jon h ALA 47 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2jon h PHE 49 N 0.42 -0.49 -3.40 0.00 3.57 -1.94 -3.41 116.94 111.69 2jon h PHE 49 Ca 0.00 0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.96 2jon h PHE 49 Cb 0.87 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2jon h PHE 49 CO 0.09 -0.20 0.10 -2.00 -2.23 0.00 0.00 178.31 174.07 2jon s GLU 50 N -3.89 4.43 0.45 1.11 -6.30 -1.26 -2.52 118.70 110.73 2jon s GLU 50 Ca -0.05 0.97 -0.23 0.00 -2.50 0.00 0.00 54.97 53.16 2jon s GLU 50 Cb 0.02 -3.32 -0.07 0.00 0.00 0.00 0.00 34.13 30.76 2jon s GLU 50 CO 0.19 0.42 1.17 -1.25 0.02 0.00 0.00 175.26 175.81 2jon s PRO 51 N -0.48 3.79 -0.14 4.30 0.04 -1.26 -5.07 135.00 136.17 2jon s PRO 51 Ca 0.35 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 2jon s PRO 51 Cb -0.20 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2jon s PRO 51 CO 0.22 -0.53 0.04 0.54 0.04 0.00 0.00 177.00 177.31 2jon s ASN 52 N -1.33 5.51 0.50 6.66 2.20 -1.05 -5.10 114.94 122.33 2jon s ASN 52 Ca 0.63 0.12 0.03 0.00 -0.94 0.00 0.00 52.86 52.70 2jon s ASN 52 Cb -0.29 -1.82 0.02 0.00 -2.00 0.00 0.00 41.25 37.17 2jon s ASN 52 CO 0.35 0.26 0.70 0.42 -2.94 0.00 0.00 177.10 175.89 2jon s THR 53 N -0.16 2.97 0.02 0.54 -4.23 -1.26 -5.01 115.64 108.50 2jon s THR 53 Ca 0.06 -0.74 -0.27 0.00 -1.18 0.00 0.00 61.69 59.57 2jon s THR 53 Cb -0.12 -3.08 -0.16 0.00 1.34 0.00 0.00 72.50 70.48 2jon s THR 53 CO 0.02 -0.05 1.26 0.58 -0.54 0.00 0.00 174.62 175.89 2jon h VAL 54 N 0.28 0.36 0.00 2.29 2.07 -1.97 -2.79 116.25 116.49 2jon h VAL 54 Ca -0.42 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2jon h VAL 54 Cb 1.29 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2jon h VAL 54 CO 0.51 0.05 0.00 2.29 0.02 0.00 0.00 177.57 180.44 2jon n LYS 55 N -5.30 0.93 -0.20 1.57 0.00 -1.26 -4.08 118.16 109.82 2jon n LYS 55 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.20 2jon n LYS 55 Cb 0.32 -1.17 0.11 0.00 -0.00 0.00 0.00 35.03 34.29 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 2.53 0.69 0.04 0.58 0.00 -1.87 -2.40 119.26 118.83 2jon h ALA 56 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jon h ALA 56 Cb 0.17 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jon h ALA 56 CO 0.00 -0.32 -0.52 0.45 0.00 0.00 0.00 179.25 178.86 2jon h HIS 57 N 0.24 -1.53 -1.05 0.00 3.86 -1.81 -0.63 115.15 114.24 2jon h HIS 57 Ca 0.31 0.05 0.28 0.00 -1.16 0.00 0.00 60.37 59.85 2jon h HIS 57 Cb 0.47 0.66 -0.11 0.00 1.06 0.00 0.00 27.41 29.49 2jon h HIS 57 CO -0.26 -0.58 0.65 0.00 0.86 0.00 0.00 177.93 178.60 2jon h ALA 58 N -0.41 2.09 -0.82 2.45 0.00 -1.76 0.28 119.26 121.08 2jon h ALA 58 Ca 0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jon h ALA 58 Cb 0.73 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2jon h ALA 58 CO -0.33 -0.56 0.52 0.00 0.00 0.00 0.00 179.25 178.87 2jon h ALA 59 N 1.68 1.11 0.50 0.00 0.00 -0.71 0.22 119.26 122.06 2jon h ALA 59 Ca 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 2jon h ALA 59 Cb 1.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jon h ALA 59 CO -0.40 0.29 -0.24 -0.92 0.00 0.00 0.00 179.25 177.98 2jon h TYR 60 N 0.97 -0.63 -0.95 0.00 5.03 -0.12 -3.20 116.97 118.07 2jon h TYR 60 Ca 0.35 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.75 2jon h TYR 60 Cb 0.10 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 38.51 2jon h TYR 60 CO -0.03 -0.31 0.61 -0.24 -1.32 0.00 0.00 178.16 176.86 2jon h VAL 61 N -1.04 0.94 -0.74 1.81 3.04 -1.32 -0.46 116.25 118.48 2jon h VAL 61 Ca -0.07 -0.32 0.21 0.00 -1.01 0.00 0.00 66.70 65.52 2jon h VAL 61 Cb 0.60 -0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 29.78 2jon h VAL 61 CO 0.11 0.17 0.85 0.24 -1.01 0.00 0.00 177.57 177.93 2jon h MET 62 N 0.93 0.00 0.67 4.17 2.86 -0.54 0.40 114.93 123.41 2jon h MET 62 Ca 0.46 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.06 2jon h MET 62 Cb 0.47 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.14 2jon h MET 62 CO -0.22 0.00 -0.32 -0.97 1.06 0.00 0.00 176.91 176.46 2jon h ASN 63 N 0.00 -0.76 -0.07 1.22 -1.24 -1.17 -1.84 115.58 111.72 2jon h ASN 63 Ca 0.35 0.03 -0.10 0.00 0.71 0.00 0.00 56.30 57.29 2jon h ASN 63 Cb 2.05 0.20 0.00 0.00 0.73 0.00 0.00 38.32 41.30 2jon h ASN 63 CO -0.00 -0.39 -0.34 0.17 -1.29 0.00 0.00 177.43 175.58 2jon h LEU 64 N -1.21 0.41 -0.19 0.34 -0.00 -1.21 -3.21 115.31 110.25 2jon h LEU 64 Ca -0.09 -0.65 0.05 0.00 -0.00 0.00 0.00 57.88 57.19 2jon h LEU 64 Cb 0.69 -0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 41.16 2jon h LEU 64 CO 0.15 1.00 -0.29 0.22 -0.00 0.00 0.00 178.44 179.52 2jon h TYR 65 N -0.15 -0.78 -0.97 0.17 5.03 -0.43 1.08 116.97 120.93 2jon h TYR 65 Ca -0.02 0.04 0.22 0.00 2.58 0.00 0.00 58.73 61.55 2jon h TYR 65 Cb 0.99 0.37 -0.08 0.00 1.55 0.00 0.00 36.73 39.56 2jon h TYR 65 CO 0.13 -0.36 0.63 -0.92 -1.32 0.00 0.00 178.16 176.31 2jon h TYR 66 N -0.33 0.66 -0.01 -3.82 5.03 -1.42 0.65 116.97 117.73 2jon h TYR 66 Ca 0.12 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2jon h TYR 66 Cb 0.51 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.59 2jon h TYR 66 CO -0.40 0.14 -0.26 1.04 -1.32 0.00 0.00 178.16 177.35 2jon n GLN 67 N -4.58 1.25 -0.02 1.82 6.02 -0.09 -1.02 117.38 120.77 2jon n GLN 67 Ca 0.22 -0.89 -0.17 0.00 -0.01 0.00 0.00 57.00 56.15 2jon n GLN 67 Cb 0.74 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 30.43 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 2.17 0.80 0.15 1.08 2.76 0.72 -3.36 115.15 119.48 2jon h HIS 68 Ca 0.00 -0.37 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2jon h HIS 68 Cb 0.64 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2jon h HIS 68 CO 0.00 1.17 -0.07 0.00 -1.30 0.00 0.00 177.93 177.73 2jon h ALA 69 N 0.46 -0.25 0.00 5.26 0.00 -1.68 -3.46 119.26 119.60 2jon h ALA 69 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jon h ALA 69 Cb 1.27 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2jon h ALA 69 CO 0.13 -0.23 -0.00 0.41 0.00 0.00 0.00 179.25 179.56 2jon n GLY 70 N 1.19 0.63 3.59 0.00 0.00 -1.26 -4.99 105.19 104.34 2jon n GLY 70 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.35 -3.80 1.61 1.74 -0.19 -4.96 116.66 106.71 2jon n ARG 71 Ca -0.00 0.57 -0.22 0.00 -0.77 0.00 0.00 57.85 57.43 2jon n ARG 71 Cb 0.32 -5.37 -0.05 0.00 -1.02 0.00 0.00 32.46 26.34 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 -2.97 4.92 0.45 0.55 0.01 -1.23 -4.93 114.94 111.73 2jon s ASN 72 Ca 0.51 -0.77 0.24 0.00 -0.71 0.00 0.00 52.86 52.13 2jon s ASN 72 Cb -0.26 -0.65 1.06 0.00 0.41 0.00 0.00 41.25 41.80 2jon s ASN 72 CO 0.63 -0.52 1.90 0.77 -1.51 0.00 0.00 177.10 178.37 2jon h SER 73 N 1.23 0.00 -0.00 -1.22 4.64 -1.93 -2.08 113.55 114.20 2jon h SER 73 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2jon h SER 73 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jon h SER 73 CO 0.61 0.22 0.00 -2.67 -0.87 0.00 0.00 176.83 174.12 2jon n TRP 74 N -3.54 0.00 0.17 4.77 2.14 -1.26 -3.34 117.44 116.39 2jon n TRP 74 Ca -0.01 -0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.61 2jon n TRP 74 Cb 0.37 0.00 0.27 0.00 -0.81 0.00 0.00 31.31 31.14 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 0.05 0.00 -2.70 -0.67 -1.24 -1.68 -3.41 115.58 105.93 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 0.01 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.96 2jon h ASN 75 CO 0.00 0.43 0.87 0.00 -1.29 0.00 0.00 177.43 177.44 2jon n ASP 77 N 8.60 2.41 0.11 0.00 9.92 -1.26 -4.80 116.55 131.52 2jon n ASP 77 Ca 0.03 -2.46 -0.05 0.00 -0.53 0.00 0.00 54.79 51.78 2jon n ASP 77 Cb 0.48 -0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 40.72 2jon n ASP 77 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2jon h PHE 78 N 0.42 -0.29 -2.30 1.24 -1.00 -1.87 -3.49 116.94 109.65 2jon h PHE 78 Ca 0.00 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.01 2jon h PHE 78 Cb 0.78 0.10 -0.05 0.00 3.61 0.00 0.00 35.95 40.39 2jon h PHE 78 CO 0.07 -0.17 0.71 -1.12 -1.61 0.00 0.00 178.31 176.19 2jon s SER 79 N -2.50 -0.01 0.00 2.17 0.01 -1.26 -4.56 113.70 107.55 2jon s SER 79 Ca -0.04 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 56.83 2jon s SER 79 Cb 0.01 0.35 0.43 0.00 0.21 0.00 0.00 66.02 67.02 2jon s SER 79 CO 0.13 -0.70 0.99 1.67 0.41 0.00 0.00 173.24 175.75 2jon n GLN 80 N -0.74 0.19 -0.11 12.44 7.27 -1.26 -2.56 117.38 132.61 2jon n GLN 80 Ca -0.01 0.09 -0.21 0.00 0.07 0.00 0.00 57.00 56.93 2jon n GLN 80 Cb 0.59 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.65 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 -1.12 1.52 -2.66 1.69 -2.24 -1.26 -4.81 114.28 105.40 2jon n THR 81 Ca 0.05 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 2jon n THR 81 Cb 0.04 -2.06 -0.03 0.00 -2.10 0.00 0.00 70.33 66.18 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 -2.48 3.01 0.36 6.98 0.00 -1.06 -2.61 121.76 125.95 2jon s ALA 82 Ca -0.30 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 2jon s ALA 82 Cb 0.08 -3.98 0.03 0.00 0.00 0.00 0.00 23.12 19.25 2jon s ALA 82 CO 0.51 -2.69 0.65 -0.08 0.00 0.00 0.00 175.76 174.15 2jon s THR 83 N 4.76 0.00 0.09 0.00 -1.32 -1.15 -4.41 115.64 113.60 2jon s THR 83 Ca 0.37 -1.26 -0.31 0.00 -1.21 0.00 0.00 61.69 59.29 2jon s THR 83 Cb -0.09 -2.72 -0.08 0.00 -1.51 0.00 0.00 72.50 68.09 2jon s THR 83 CO 0.21 0.00 1.50 -0.76 -2.21 0.00 0.00 174.62 173.36 2jon s LEU 84 N -3.13 4.36 0.38 9.08 1.43 -1.26 -0.87 118.68 128.66 2jon s LEU 84 Ca 0.22 2.38 0.08 0.00 -1.03 0.00 0.00 54.13 55.78 2jon s LEU 84 Cb -0.03 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2jon s LEU 84 CO 0.15 -0.76 0.34 0.28 0.23 0.00 0.00 176.35 176.59 2jon s THR 85 N 1.78 3.10 0.00 5.49 -1.32 0.15 -4.92 115.64 119.92 2jon s THR 85 Ca 0.68 -1.34 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2jon s THR 85 Cb -0.38 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 2jon s THR 85 CO 0.30 -0.09 0.00 0.59 -2.21 0.00 0.00 174.62 173.22 2jon n ASN 86 N -1.47 -1.18 -3.98 8.08 3.02 -1.26 -3.75 115.26 114.71 2jon n ASN 86 Ca 0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.27 2jon n ASN 86 Cb 0.61 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.86 2jon n ASN 86 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jon n THR 87 N -2.40 0.00 -1.48 3.41 -2.24 -1.26 -4.45 114.28 105.86 2jon n THR 87 Ca 0.00 -0.09 -0.46 0.00 -2.27 0.00 0.00 64.05 61.23 2jon n THR 87 Cb 0.00 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 2jon n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jon n ASN 88 N 1.26 2.03 0.00 3.42 4.05 -1.26 -4.77 115.26 119.99 2jon n ASN 88 Ca 0.00 0.19 0.08 0.00 0.45 0.00 0.00 54.58 55.30 2jon n ASN 88 Cb 0.56 -1.31 0.44 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 8.44 0.43 -1.47 1.20 -0.04 -1.26 -4.79 135.00 137.51 2jon n PRO 89 Ca 0.43 0.03 -0.49 0.00 -0.04 0.00 0.00 63.50 63.43 2jon n PRO 89 Cb 0.28 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.05 2.17 0.18 3.54 2.88 -1.26 -4.79 113.62 115.29 2jon n SER 90 Ca 0.11 0.32 0.13 0.00 -1.33 0.00 0.00 58.87 58.10 2jon n SER 90 Cb 0.07 -1.30 0.44 0.00 -0.75 0.00 0.00 64.21 62.67 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 13.12 0.00 0.00 0.66 -0.00 -1.87 -3.48 116.97 125.39 2jon h TYR 91 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 2jon h TYR 91 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 2jon h TYR 91 CO 0.96 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.53 2jon n GLY 92 N 0.63 -0.77 0.30 0.10 0.00 -1.26 -4.97 105.19 99.22 2jon n GLY 92 Ca 0.03 0.55 -0.03 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 1.23 -1.52 4.61 0.00 -2.02 -3.38 119.26 118.17 2jon h ALA 93 Ca 0.00 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.15 2jon h ALA 93 Cb 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.47 2jon h ALA 93 CO 0.00 0.54 0.88 0.00 0.00 0.00 0.00 179.25 180.66 2jon s ASN 95 N 3.44 6.38 0.18 0.00 2.20 -1.26 -3.72 114.94 122.16 2jon s ASN 95 Ca 0.34 0.32 -0.09 0.00 -0.94 0.00 0.00 52.86 52.49 2jon s ASN 95 Cb -0.10 -1.98 -0.07 0.00 -2.00 0.00 0.00 41.25 37.10 2jon s ASN 95 CO 0.17 0.10 0.49 -0.36 -2.94 0.00 0.00 177.10 174.55 2jon s PHE 96 N -1.63 3.47 -0.00 1.54 0.40 -1.26 -4.99 117.98 115.51 2jon s PHE 96 Ca 0.36 0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 57.19 2jon s PHE 96 Cb -0.12 -2.19 -0.06 0.00 0.51 0.00 0.00 43.02 41.16 2jon s PHE 96 CO 0.28 0.36 1.45 -1.25 0.70 0.00 0.00 175.22 176.75 2jon s PRO 97 N -2.59 4.26 -0.07 0.24 0.04 -1.26 -4.90 135.00 130.73 2jon s PRO 97 Ca 0.43 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.59 2jon s PRO 97 Cb -0.12 -3.62 0.22 0.00 0.04 0.00 0.00 34.50 31.02 2jon s PRO 97 CO 0.21 -0.63 1.15 -1.13 0.04 0.00 0.00 177.00 176.65 2jon n SER 98 N 5.62 2.54 0.00 6.66 3.41 -1.26 -4.30 113.62 126.29 2jon n SER 98 Ca 0.14 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 2jon n SER 98 Cb 0.43 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.66 3.35 3.48 5.00 0.00 -1.26 -4.95 105.19 110.14 2jon n GLY 99 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2jon n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jon s SER 100 N -0.50 -0.07 0.00 1.61 1.04 -1.26 -4.74 113.70 109.78 2jon s SER 100 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2jon s SER 100 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2jon s SER 100 CO 0.00 -1.03 0.00 0.59 0.98 0.00 0.00 173.24 173.78