#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 0.08 0.24 0.00 -4.23 -1.26 -5.15 115.64 105.33 2jon s THR 2 Ca 0.00 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 59.57 2jon s THR 2 Cb 0.00 -0.54 -0.09 0.00 1.34 0.00 0.00 72.50 73.21 2jon s THR 2 CO 0.00 -0.36 1.27 -2.16 -0.54 0.00 0.00 174.62 172.84 2jon s PRO 3 N -1.49 4.42 0.01 3.99 0.04 -1.26 -5.04 135.00 135.67 2jon s PRO 3 Ca -0.13 2.05 0.01 0.00 0.04 0.00 0.00 61.00 62.96 2jon s PRO 3 Cb -0.06 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2jon s PRO 3 CO 0.02 -0.16 -0.03 0.95 0.04 0.00 0.00 177.00 177.82 2jon s THR 4 N -0.40 0.20 0.19 1.26 -4.23 -1.26 -5.14 115.64 106.26 2jon s THR 4 Ca 0.53 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 60.34 2jon s THR 4 Cb -0.36 -0.23 -0.09 0.00 1.34 0.00 0.00 72.50 73.16 2jon s THR 4 CO 0.42 -0.13 1.31 -2.16 -0.54 0.00 0.00 174.62 173.52 2jon s PRO 5 N -0.55 4.39 0.06 3.99 0.04 -1.26 -5.04 135.00 136.63 2jon s PRO 5 Ca -0.04 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2jon s PRO 5 Cb -0.04 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2jon s PRO 5 CO -0.00 -0.26 0.06 0.95 0.04 0.00 0.00 177.00 177.79 2jon s THR 6 N 0.21 4.46 0.48 1.26 -4.23 -1.26 -5.12 115.64 111.44 2jon s THR 6 Ca 0.57 -0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 60.28 2jon s THR 6 Cb -0.36 -3.11 0.12 0.00 1.34 0.00 0.00 72.50 70.48 2jon s THR 6 CO 0.37 0.18 0.43 -0.81 -0.54 0.00 0.00 174.62 174.25 2jon n PRO 7 N 0.67 -1.86 -3.78 3.99 -0.04 -1.26 -5.07 135.00 127.65 2jon n PRO 7 Ca -0.10 -0.68 -0.26 0.00 -0.04 0.00 0.00 63.50 62.42 2jon n PRO 7 Cb 0.52 -0.64 -0.17 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.97 0.80 0.86 0.54 3.01 -1.26 -5.13 119.74 114.59 2jon s LYS 8 Ca 0.28 -0.19 -0.12 0.00 -1.01 0.00 0.00 55.97 54.93 2jon s LYS 8 Cb -0.03 -1.57 0.11 0.00 -1.01 0.00 0.00 37.83 35.33 2jon s LYS 8 CO 0.21 -0.44 1.10 0.00 0.51 0.00 0.00 175.35 176.74 2jon s ALA 9 N 1.87 1.87 0.99 5.17 0.00 -1.26 -5.02 121.76 125.38 2jon s ALA 9 Ca 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 2jon s ALA 9 Cb -0.14 -3.11 0.19 0.00 0.00 0.00 0.00 23.12 20.05 2jon s ALA 9 CO -0.07 -2.09 1.10 0.00 0.00 0.00 0.00 175.76 174.70 2jon s ALA 10 N -3.12 0.87 -0.07 0.00 0.00 -1.26 -4.65 121.76 113.53 2jon s ALA 10 Ca 0.62 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 2jon s ALA 10 Cb -0.16 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2jon s ALA 10 CO 0.55 -3.04 0.11 0.41 0.00 0.00 0.00 175.76 173.79 2jon n GLY 11 N 0.20 -5.29 3.55 0.00 0.00 -1.26 -4.95 105.19 97.44 2jon n GLY 11 Ca 0.08 0.84 -0.06 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.87 -0.18 1.61 0.01 -1.26 -4.59 113.70 107.82 2jon s SER 12 Ca -0.13 1.39 -0.02 0.00 1.31 0.00 0.00 55.95 58.50 2jon s SER 12 Cb 0.01 1.58 0.05 0.00 0.21 0.00 0.00 66.02 67.87 2jon s SER 12 CO 0.34 -0.23 0.02 0.26 0.41 0.00 0.00 173.24 174.05 2jon s TRP 13 N 2.10 1.03 -0.67 2.43 0.51 -1.25 -4.55 118.94 118.54 2jon s TRP 13 Ca -0.08 -0.79 -0.26 0.00 -2.12 0.00 0.00 56.10 52.86 2jon s TRP 13 Cb -0.08 -1.02 0.04 0.00 -0.81 0.00 0.00 33.47 31.60 2jon s TRP 13 CO -0.18 -0.57 1.16 0.00 -0.51 0.00 0.00 176.95 176.84 2jon s VAL 15 N 5.02 0.04 0.09 0.00 -7.23 0.26 -4.74 120.40 113.84 2jon s VAL 15 Ca 0.33 -0.35 -0.31 0.00 -1.81 0.00 0.00 61.98 59.85 2jon s VAL 15 Cb -0.10 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.90 2jon s VAL 15 CO 0.17 -0.19 1.38 -2.16 -0.31 0.00 0.00 175.10 173.98 2jon s PRO 16 N -1.89 4.32 -0.24 4.82 0.04 -1.26 -3.02 135.00 137.79 2jon s PRO 16 Ca -0.09 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 2jon s PRO 16 Cb -0.02 -3.31 -0.12 0.00 0.04 0.00 0.00 34.50 31.08 2jon s PRO 16 CO 0.02 -0.45 1.98 1.63 0.04 0.00 0.00 177.00 180.22 2jon n LYS 17 N 4.20 1.51 -2.06 4.56 4.01 -1.19 -4.82 118.16 124.37 2jon n LYS 17 Ca 0.12 0.51 -0.27 0.00 -0.51 0.00 0.00 58.31 58.15 2jon n LYS 17 Cb 0.43 -2.47 -0.06 0.00 -0.51 0.00 0.00 35.03 32.42 2jon n LYS 17 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2jon s PRO 18 N 4.84 2.51 0.00 1.97 0.04 -1.26 -2.81 135.00 140.30 2jon s PRO 18 Ca 1.01 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.26 2jon s PRO 18 Cb -0.83 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 28.54 2jon s PRO 18 CO 0.54 -3.73 0.00 0.41 0.04 0.00 0.00 177.00 174.26 2jon n GLY 19 N 6.26 0.20 3.53 0.56 0.00 -1.26 -5.15 105.19 109.32 2jon n GLY 19 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.47 1.61 0.31 -1.12 -4.77 118.33 112.89 2jon n VAL 20 Ca 0.00 -0.27 -0.49 0.00 -0.01 0.00 0.00 64.34 63.57 2jon n VAL 20 Cb 0.00 -0.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 -4.35 2.20 -0.15 4.52 7.64 -1.26 -4.83 113.62 117.40 2jon n SER 21 Ca 0.06 0.33 -0.04 0.00 1.01 0.00 0.00 58.87 60.24 2jon n SER 21 Cb 0.54 -1.30 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 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 10.38 -0.37 -0.33 6.43 8.00 -1.26 0.21 116.55 139.60 2jon n ASP 22 Ca 0.41 0.97 0.27 0.00 0.71 0.00 0.00 54.79 57.14 2jon n ASP 22 Cb 0.26 -0.25 0.51 0.00 -0.02 0.00 0.00 41.12 41.62 2jon n ASP 22 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2jon h ASP 23 N 0.00 0.35 0.03 -2.24 5.19 -1.97 0.45 116.42 118.24 2jon h ASP 23 Ca 0.06 0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2jon h ASP 23 Cb 0.14 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2jon h ASP 23 CO -0.33 -0.29 -0.09 -0.61 -3.12 0.00 0.00 179.24 174.80 2jon h GLN 24 N 0.15 -0.17 0.00 3.56 5.75 0.21 -2.33 115.11 122.28 2jon h GLN 24 Ca 0.77 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 59.20 2jon h GLN 24 Cb 1.90 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.47 2jon h GLN 24 CO -0.70 -0.11 -0.41 -0.07 -2.65 0.00 0.00 178.83 174.89 2jon h LEU 25 N -0.17 0.00 0.00 -2.39 -0.00 0.13 -2.79 115.31 110.09 2jon h LEU 25 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2jon h LEU 25 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2jon h LEU 25 CO -0.07 0.41 0.00 0.41 -0.00 0.00 0.00 178.44 179.19 2jon n THR 26 N -3.62 1.18 0.09 0.22 -1.04 0.11 -1.45 114.28 109.76 2jon n THR 26 Ca -0.01 0.29 0.01 0.00 -2.04 0.00 0.00 64.05 62.30 2jon n THR 26 Cb 0.51 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 2jon n THR 26 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2jon h GLY 27 N 0.72 0.00 0.16 3.41 0.00 -1.42 -3.34 103.07 102.60 2jon h GLY 27 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jon h GLY 27 CO 0.00 0.00 -0.08 3.43 0.00 0.00 0.00 176.54 179.89 2jon h ASN 28 N 0.00 -0.18 -0.96 0.19 2.35 -1.45 -2.65 115.58 112.88 2jon h ASN 28 Ca -0.06 0.01 0.31 0.00 -0.55 0.00 0.00 56.30 56.01 2jon h ASN 28 Cb 1.50 0.05 -0.18 0.00 0.05 0.00 0.00 38.32 39.74 2jon h ASN 28 CO 0.07 -0.11 0.19 -0.38 -1.65 0.00 0.00 177.43 175.55 2jon n ILE 29 N -2.71 -0.40 -0.10 2.81 5.41 -1.26 0.10 119.36 123.21 2jon n ILE 29 Ca -0.03 2.06 -0.07 0.00 1.00 0.00 0.00 62.75 65.71 2jon n ILE 29 Cb 0.09 -3.12 0.01 0.00 -0.71 0.00 0.00 39.64 35.91 2jon n ILE 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2jon h ASN 30 N 0.00 0.17 0.23 4.38 -1.24 -1.67 0.55 115.58 118.00 2jon h ASN 30 Ca 0.66 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.69 2jon h ASN 30 Cb 1.54 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.59 2jon h ASN 30 CO -0.85 0.13 -0.11 0.22 -1.29 0.00 0.00 177.43 175.54 2jon h TYR 31 N 0.29 -0.28 -0.94 0.67 3.20 0.10 -3.31 116.97 116.70 2jon h TYR 31 Ca 0.15 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.18 2jon h TYR 31 Cb 0.10 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 2jon h TYR 31 CO -0.13 -0.04 0.53 0.00 -1.64 0.00 0.00 178.16 176.89 2jon h ALA 32 N -0.84 1.48 0.00 1.82 0.00 -0.12 0.42 119.26 122.02 2jon h ALA 32 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jon h ALA 32 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jon h ALA 32 CO 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.34 2jon n SER 34 N -1.42 3.69 -0.12 0.00 2.88 0.15 -4.23 113.62 114.57 2jon n SER 34 Ca 0.00 -2.82 -0.24 0.00 -1.33 0.00 0.00 58.87 54.48 2jon n SER 34 Cb 0.08 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 62.95 2jon n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jon n GLN 35 N -0.31 0.57 0.00 -1.46 1.13 0.18 -5.09 117.38 112.40 2jon n GLN 35 Ca 0.19 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 2jon n GLN 35 Cb 0.80 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.52 2jon n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jon n GLY 36 N 1.36 -0.75 0.47 1.08 0.00 -1.26 -4.91 105.19 101.18 2jon n GLY 36 Ca -0.41 0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.18 -0.06 -0.61 -5.35 -1.26 -3.93 119.36 108.33 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 -0.34 -0.01 0.00 -1.74 0.00 0.00 39.64 37.55 2jon n ILE 37 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2jon h ASP 38 N 0.33 0.00 -3.03 7.28 5.19 -1.90 -3.43 116.42 120.87 2jon h ASP 38 Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 2jon h ASP 38 Cb 0.47 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2jon h ASP 38 CO 0.03 0.65 0.75 0.00 -3.12 0.00 0.00 179.24 177.55 2jon n GLY 40 N 3.45 2.24 0.00 0.00 0.00 -1.26 -4.84 105.19 104.78 2jon n GLY 40 Ca 0.12 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.42 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 0.49 -0.10 1.61 -0.04 -1.26 -3.25 135.00 132.45 2jon n PRO 41 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2jon n PRO 41 Cb 0.00 -1.20 0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.70 0.31 -2.64 0.52 -5.35 -1.25 -4.74 119.36 105.52 2jon n ILE 42 Ca 0.05 -0.17 -0.40 0.00 -0.27 0.00 0.00 62.75 61.96 2jon n ILE 42 Cb 0.02 -0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 37.51 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 -1.36 4.74 0.45 6.28 -0.21 -1.20 -4.67 119.66 123.69 2jon s GLN 43 Ca 0.07 1.61 -0.23 0.00 0.02 0.00 0.00 55.36 56.82 2jon s GLN 43 Cb 0.05 -3.27 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 2jon s GLN 43 CO 0.02 0.33 1.17 -1.25 -2.12 0.00 0.00 175.29 173.44 2jon s PRO 44 N -0.97 3.81 -0.13 2.91 0.04 -1.26 -4.97 135.00 134.43 2jon s PRO 44 Ca 0.44 1.80 0.11 0.00 0.04 0.00 0.00 61.00 63.39 2jon s PRO 44 Cb -0.28 -2.46 -0.16 0.00 0.04 0.00 0.00 34.50 31.64 2jon s PRO 44 CO 0.35 -0.51 0.05 0.41 0.04 0.00 0.00 177.00 177.33 2jon n GLY 45 N 0.48 -0.64 0.00 0.56 0.00 -1.26 -5.02 105.19 99.32 2jon n GLY 45 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 2.20 1.39 0.04 -0.02 0.00 -1.26 -5.03 105.19 102.52 2jon n GLY 46 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.51 -0.07 4.61 0.00 -1.96 -3.40 119.26 117.93 2jon h ALA 47 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jon h ALA 47 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jon h ALA 47 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.75 2jon h PHE 49 N 0.42 -1.09 -3.45 0.00 3.57 -1.96 -3.41 116.94 111.02 2jon h PHE 49 Ca 0.00 0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.90 2jon h PHE 49 Cb 0.61 0.44 -0.14 0.00 2.79 0.00 0.00 35.95 39.65 2jon h PHE 49 CO 0.06 -0.53 -0.51 -1.21 -2.23 0.00 0.00 178.31 173.88 2jon s GLU 50 N -5.95 4.09 0.63 1.11 0.41 -1.26 -0.59 118.70 117.14 2jon s GLU 50 Ca -0.17 -0.27 -0.16 0.00 -0.41 0.00 0.00 54.97 53.97 2jon s GLU 50 Cb 0.06 -3.46 -0.01 0.00 -1.78 0.00 0.00 34.13 28.94 2jon s GLU 50 CO 0.63 0.16 1.11 -1.25 -0.49 0.00 0.00 175.26 175.42 2jon s PRO 51 N 0.76 2.92 -0.28 0.39 0.04 -1.26 -5.03 135.00 132.54 2jon s PRO 51 Ca 0.07 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 2jon s PRO 51 Cb -0.13 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2jon s PRO 51 CO 0.02 -1.16 0.17 0.54 0.04 0.00 0.00 177.00 176.60 2jon s ASN 52 N -2.40 5.80 0.77 6.66 2.20 0.24 -5.01 114.94 123.21 2jon s ASN 52 Ca 0.68 -0.12 -0.09 0.00 -0.94 0.00 0.00 52.86 52.39 2jon s ASN 52 Cb -0.21 -2.07 0.09 0.00 -2.00 0.00 0.00 41.25 37.05 2jon s ASN 52 CO 0.38 -0.07 1.11 0.42 -2.94 0.00 0.00 177.10 176.00 2jon s THR 53 N 1.72 2.14 0.01 0.54 -4.23 -1.26 -4.99 115.64 109.56 2jon s THR 53 Ca 0.07 -0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.19 2jon s THR 53 Cb -0.16 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.58 2jon s THR 53 CO 0.09 0.00 1.05 0.58 -0.54 0.00 0.00 174.62 175.80 2jon h VAL 54 N -0.89 0.00 -0.02 2.29 2.07 -1.98 -3.02 116.25 114.70 2jon h VAL 54 Ca -0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2jon h VAL 54 Cb 1.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jon h VAL 54 CO 0.58 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.46 2jon n LYS 55 N -4.91 1.09 -0.19 1.57 0.00 -1.26 -4.19 118.16 110.28 2jon n LYS 55 Ca -0.10 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2jon n LYS 55 Cb 0.33 -1.37 0.09 0.00 -0.00 0.00 0.00 35.03 34.08 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 2.35 0.63 -0.48 0.58 0.00 -1.91 -1.54 119.26 118.89 2jon h ALA 56 Ca 0.00 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2jon h ALA 56 Cb 0.39 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2jon h ALA 56 CO 0.01 -0.34 -0.13 0.45 0.00 0.00 0.00 179.25 179.23 2jon h HIS 57 N 0.20 -0.29 -0.46 0.00 3.86 -1.82 0.15 115.15 116.78 2jon h HIS 57 Ca 0.30 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.61 2jon h HIS 57 Cb 0.45 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2jon h HIS 57 CO -0.28 -0.22 0.31 0.00 0.86 0.00 0.00 177.93 178.60 2jon h ALA 58 N 1.44 1.94 -0.57 2.45 0.00 -1.62 -1.20 119.26 121.70 2jon h ALA 58 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jon h ALA 58 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2jon h ALA 58 CO -0.50 -0.02 0.18 0.00 0.00 0.00 0.00 179.25 178.91 2jon h ALA 59 N 1.75 1.24 0.56 0.00 0.00 -0.24 -0.26 119.26 122.31 2jon h ALA 59 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jon h ALA 59 Cb 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jon h ALA 59 CO -0.05 0.54 -0.27 -0.92 0.00 0.00 0.00 179.25 178.55 2jon h TYR 60 N 0.84 -0.69 -0.73 0.00 5.03 -0.78 -3.21 116.97 117.42 2jon h TYR 60 Ca 0.19 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.61 2jon h TYR 60 Cb 0.24 0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.71 2jon h TYR 60 CO 0.02 -0.43 0.48 -0.24 -1.32 0.00 0.00 178.16 176.67 2jon h VAL 61 N -1.14 0.86 -0.93 1.81 3.04 -1.50 -0.26 116.25 118.13 2jon h VAL 61 Ca -0.08 -0.17 0.27 0.00 -1.01 0.00 0.00 66.70 65.71 2jon h VAL 61 Cb 0.57 0.32 -0.04 0.00 -2.01 0.00 0.00 31.29 30.14 2jon h VAL 61 CO 0.13 0.09 0.67 0.24 -1.01 0.00 0.00 177.57 177.69 2jon h MET 62 N 0.49 0.00 0.21 4.17 2.86 -1.04 0.54 114.93 122.17 2jon h MET 62 Ca 0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 2jon h MET 62 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2jon h MET 62 CO -0.12 0.00 -0.10 -0.97 1.06 0.00 0.00 176.91 176.78 2jon h ASN 63 N 0.00 -0.24 0.24 1.22 -1.24 -1.10 -1.69 115.58 112.77 2jon h ASN 63 Ca 0.44 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.45 2jon h ASN 63 Cb 1.78 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.90 2jon h ASN 63 CO -0.00 -0.14 -0.12 0.17 -1.29 0.00 0.00 177.43 176.05 2jon h LEU 64 N -0.36 -0.28 -0.80 0.34 -0.00 -1.56 -3.09 115.31 109.56 2jon h LEU 64 Ca -0.03 -0.18 0.19 0.00 -0.00 0.00 0.00 57.88 57.86 2jon h LEU 64 Cb 0.22 0.07 -0.13 0.00 -0.00 0.00 0.00 40.66 40.82 2jon h LEU 64 CO 0.05 0.05 0.15 0.22 -0.00 0.00 0.00 178.44 178.91 2jon h TYR 65 N -0.62 0.21 -0.08 0.17 5.03 -0.09 1.03 116.97 122.63 2jon h TYR 65 Ca -0.03 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.35 2jon h TYR 65 Cb 0.44 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.75 2jon h TYR 65 CO 0.02 -0.18 0.08 -0.92 -1.32 0.00 0.00 178.16 175.84 2jon h TYR 66 N 0.20 0.00 -0.02 -3.82 5.03 -1.24 0.55 116.97 117.66 2jon h TYR 66 Ca 0.47 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.78 2jon h TYR 66 Cb 0.87 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.15 2jon h TYR 66 CO -0.31 0.00 -0.16 1.04 -1.32 0.00 0.00 178.16 177.41 2jon n GLN 67 N -3.98 1.66 -0.09 1.82 6.02 0.31 -1.97 117.38 121.15 2jon n GLN 67 Ca -0.01 -1.37 -0.14 0.00 -0.01 0.00 0.00 57.00 55.47 2jon n GLN 67 Cb 0.18 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 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 3.19 0.88 0.10 1.08 2.76 0.23 -3.35 115.15 120.05 2jon h HIS 68 Ca 0.00 -0.28 -0.01 0.00 -2.20 0.00 0.00 60.37 57.89 2jon h HIS 68 Cb 0.76 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.54 2jon h HIS 68 CO 0.00 1.04 -0.05 0.00 -1.30 0.00 0.00 177.93 177.62 2jon h ALA 69 N 0.69 -0.14 0.00 5.26 0.00 -1.77 -3.46 119.26 119.84 2jon h ALA 69 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jon h ALA 69 Cb 0.92 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jon h ALA 69 CO 0.08 -0.16 -0.01 0.41 0.00 0.00 0.00 179.25 179.57 2jon n GLY 70 N 1.18 -0.15 3.85 0.00 0.00 -1.25 -4.99 105.19 103.82 2jon n GLY 70 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.62 -4.08 1.61 1.74 -0.83 -4.98 116.66 105.50 2jon n ARG 71 Ca -0.01 0.55 -0.24 0.00 -0.77 0.00 0.00 57.85 57.38 2jon n ARG 71 Cb 0.15 -5.12 -0.07 0.00 -1.02 0.00 0.00 32.46 26.41 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 -4.00 4.54 0.43 0.55 0.01 -1.22 -4.97 114.94 110.28 2jon s ASN 72 Ca 0.24 -0.95 0.23 0.00 -0.71 0.00 0.00 52.86 51.66 2jon s ASN 72 Cb -0.12 -0.56 0.89 0.00 0.41 0.00 0.00 41.25 41.87 2jon s ASN 72 CO 0.84 -0.46 1.82 0.77 -1.51 0.00 0.00 177.10 178.56 2jon h SER 73 N 1.45 0.00 0.00 -1.22 4.64 -1.93 -2.45 113.55 114.04 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jon h SER 73 CO 0.67 0.26 0.00 -2.67 -0.87 0.00 0.00 176.83 174.21 2jon n TRP 74 N -3.45 0.00 0.22 4.77 2.14 -1.26 -3.23 117.44 116.64 2jon n TRP 74 Ca -0.00 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.68 2jon n TRP 74 Cb 0.44 0.00 0.41 0.00 -0.81 0.00 0.00 31.31 31.35 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 0.00 0.00 -2.69 -0.67 -1.24 -1.74 -3.41 115.58 105.83 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 0.00 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.95 2jon h ASN 75 CO 0.00 0.17 0.88 0.00 -1.29 0.00 0.00 177.43 177.19 2jon n ASP 77 N 8.63 2.08 0.06 0.00 9.92 -1.26 -4.80 116.55 131.19 2jon n ASP 77 Ca 0.03 -1.89 -0.03 0.00 -0.53 0.00 0.00 54.79 52.37 2jon n ASP 77 Cb 0.48 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 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 0.44 -0.18 -2.28 1.24 -1.00 -1.86 -3.49 116.94 109.82 2jon h PHE 78 Ca 0.00 -0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.02 2jon h PHE 78 Cb 0.50 0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.06 2jon h PHE 78 CO 0.04 -0.10 0.72 0.45 -1.61 0.00 0.00 178.31 177.82 2jon s SER 79 N -2.34 -0.01 0.00 2.17 0.15 -1.26 -4.75 113.70 107.66 2jon s SER 79 Ca -0.03 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.28 2jon s SER 79 Cb 0.00 0.33 0.52 0.00 -1.71 0.00 0.00 66.02 65.16 2jon s SER 79 CO 0.08 -0.66 1.03 1.67 1.20 0.00 0.00 173.24 176.57 2jon n GLN 80 N -0.75 0.24 -0.10 5.44 7.27 -1.26 -2.66 117.38 125.55 2jon n GLN 80 Ca -0.01 0.05 -0.19 0.00 0.07 0.00 0.00 57.00 56.92 2jon n GLN 80 Cb 0.59 -1.50 -0.09 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 -1.08 1.51 -2.65 1.69 -2.24 -1.26 -4.79 114.28 105.46 2jon n THR 81 Ca 0.06 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2jon n THR 81 Cb 0.04 -2.10 -0.03 0.00 -2.10 0.00 0.00 70.33 66.14 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 2.93 0.34 6.98 0.00 -1.09 -3.19 121.76 125.23 2jon s ALA 82 Ca -0.28 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 2jon s ALA 82 Cb 0.07 -4.06 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2jon s ALA 82 CO 0.49 -2.92 0.49 -0.08 0.00 0.00 0.00 175.76 173.74 2jon s THR 83 N 5.00 0.00 -0.25 0.00 -1.32 -1.17 -4.44 115.64 113.45 2jon s THR 83 Ca 0.34 -1.56 -0.29 0.00 -1.21 0.00 0.00 61.69 58.97 2jon s THR 83 Cb -0.10 -2.63 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 2jon s THR 83 CO 0.17 0.00 1.83 -0.76 -2.21 0.00 0.00 174.62 173.65 2jon s LEU 84 N -3.22 3.67 0.60 9.08 1.43 -1.26 -0.57 118.68 128.40 2jon s LEU 84 Ca 0.29 1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 2jon s LEU 84 Cb -0.01 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.72 2jon s LEU 84 CO 0.19 -1.57 0.87 0.28 0.23 0.00 0.00 176.35 176.34 2jon s THR 85 N 6.46 2.92 0.00 5.49 -1.32 0.80 -4.89 115.64 125.10 2jon s THR 85 Ca 0.81 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 2jon s THR 85 Cb -0.26 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 2jon s THR 85 CO 0.33 -0.14 0.00 0.59 -2.21 0.00 0.00 174.62 173.19 2jon n ASN 86 N -2.55 -1.07 -3.95 8.08 3.02 -1.26 -3.81 115.26 113.72 2jon n ASN 86 Ca 0.06 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.35 2jon n ASN 86 Cb 0.59 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.84 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 -2.21 0.00 -1.48 3.41 5.66 -1.26 -4.43 114.28 113.96 2jon n THR 87 Ca 0.00 -0.07 -0.46 0.00 -3.05 0.00 0.00 64.05 60.46 2jon n THR 87 Cb 0.00 -0.22 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 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 1.40 2.04 0.00 1.09 4.05 -1.26 -4.77 115.26 117.80 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 0.52 -1.31 0.42 0.00 1.23 0.00 0.00 39.78 40.64 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 0.35 -1.49 1.20 -0.04 -1.26 -4.78 135.00 137.42 2jon n PRO 89 Ca 0.43 0.07 -0.44 0.00 -0.04 0.00 0.00 63.50 63.52 2jon n PRO 89 Cb 0.28 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.14 1.89 0.16 3.54 2.88 -1.26 -4.77 113.62 114.92 2jon n SER 90 Ca 0.09 0.08 0.13 0.00 -1.33 0.00 0.00 58.87 57.85 2jon n SER 90 Cb 0.08 -1.31 0.45 0.00 -0.75 0.00 0.00 64.21 62.69 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 14.62 0.00 0.00 0.66 -0.00 -1.87 -3.48 116.97 126.90 2jon h TYR 91 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.50 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 0.58 -0.62 0.32 0.10 0.00 -1.26 -4.97 105.19 99.34 2jon n GLY 92 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 1.45 -1.48 4.61 0.00 -1.99 -3.38 119.26 118.47 2jon h ALA 93 Ca 0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 2jon h ALA 93 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 2jon h ALA 93 CO 0.00 0.45 1.14 0.00 0.00 0.00 0.00 179.25 180.84 2jon s ASN 95 N 4.97 6.43 0.21 0.00 2.47 -1.26 -3.86 114.94 123.90 2jon s ASN 95 Ca 0.49 0.51 -0.07 0.00 0.42 0.00 0.00 52.86 54.22 2jon s ASN 95 Cb -0.10 -2.09 -0.06 0.00 -1.45 0.00 0.00 41.25 37.55 2jon s ASN 95 CO 0.20 0.40 0.48 -0.36 -3.72 0.00 0.00 177.10 174.10 2jon s PHE 96 N -1.04 3.45 0.03 0.43 0.40 -1.26 -4.91 117.98 115.08 2jon s PHE 96 Ca 0.16 0.69 -0.30 0.00 -0.60 0.00 0.00 56.93 56.88 2jon s PHE 96 Cb -0.12 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.22 2jon s PHE 96 CO 0.05 0.31 1.42 -1.25 0.70 0.00 0.00 175.22 176.46 2jon s PRO 97 N -2.93 4.28 0.00 0.24 0.04 -1.26 -4.90 135.00 130.48 2jon s PRO 97 Ca 0.44 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.59 2jon s PRO 97 Cb -0.11 -3.51 0.06 0.00 0.04 0.00 0.00 34.50 30.98 2jon s PRO 97 CO 0.24 -0.56 0.74 -1.13 0.04 0.00 0.00 177.00 176.34 2jon n SER 98 N 5.08 1.64 -4.45 6.66 3.41 -1.26 -4.30 113.62 120.40 2jon n SER 98 Ca 0.13 -1.32 -0.39 0.00 -0.26 0.00 0.00 58.87 57.03 2jon n SER 98 Cb 0.43 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.46 -0.31 3.96 5.00 0.00 -1.26 -4.87 105.19 108.16 2jon n GLY 99 Ca 0.05 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.57 5.40 0.00 1.61 0.01 -1.26 -4.94 113.70 110.95 2jon s SER 100 Ca 0.58 0.16 0.31 0.00 1.31 0.00 0.00 55.95 58.31 2jon s SER 100 Cb -0.34 -1.12 1.71 0.00 0.21 0.00 0.00 66.02 66.48 2jon s SER 100 CO 1.01 -1.06 2.12 -3.20 0.41 0.00 0.00 173.24 172.51