#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 5.22 0.79 0.00 -4.23 -1.26 -5.09 115.64 111.07 2jon s THR 2 Ca 0.00 0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 61.09 2jon s THR 2 Cb 0.00 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.35 2jon s THR 2 CO 0.00 0.43 0.70 -0.81 -0.54 0.00 0.00 174.62 174.40 2jon n PRO 3 N 3.09 -2.39 -3.62 3.99 -0.04 -1.26 -5.10 135.00 129.67 2jon n PRO 3 Ca -0.11 -1.12 -0.16 0.00 -0.04 0.00 0.00 63.50 62.07 2jon n PRO 3 Cb 0.52 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.86 2jon n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jon s THR 4 N -2.27 0.01 1.17 0.52 -4.23 -1.26 -5.18 115.64 104.41 2jon s THR 4 Ca 0.45 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.66 2jon s THR 4 Cb -0.04 -0.86 0.27 0.00 1.34 0.00 0.00 72.50 73.21 2jon s THR 4 CO 0.35 -0.07 1.11 -2.16 -0.54 0.00 0.00 174.62 173.31 2jon s PRO 5 N -0.84 -0.97 -0.05 3.99 0.04 -1.26 -5.05 135.00 130.86 2jon s PRO 5 Ca -0.09 0.03 -0.04 0.00 0.04 0.00 0.00 61.00 60.94 2jon s PRO 5 Cb -0.02 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 2jon s PRO 5 CO 0.06 -3.56 0.16 0.95 0.04 0.00 0.00 177.00 174.65 2jon s THR 6 N -3.00 5.41 0.36 1.26 -4.23 -1.26 -5.11 115.64 109.08 2jon s THR 6 Ca 0.70 -0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 2jon s THR 6 Cb -0.11 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.36 2jon s THR 6 CO 0.56 0.45 0.32 -0.81 -0.54 0.00 0.00 174.62 174.60 2jon n PRO 7 N 1.39 -1.65 -4.53 3.99 -0.04 -1.26 -5.05 135.00 127.85 2jon n PRO 7 Ca -0.15 -0.51 -0.33 0.00 -0.04 0.00 0.00 63.50 62.47 2jon n PRO 7 Cb 0.54 -0.48 -0.15 0.00 -0.04 0.00 0.00 33.50 33.37 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 -3.72 3.33 -0.21 0.54 2.36 -1.26 -5.06 119.74 115.72 2jon s LYS 8 Ca 0.21 -0.70 -0.32 0.00 -2.55 0.00 0.00 55.97 52.61 2jon s LYS 8 Cb -0.02 -2.69 -0.09 0.00 -1.05 0.00 0.00 37.83 33.98 2jon s LYS 8 CO 0.16 0.07 2.11 0.00 1.55 0.00 0.00 175.35 179.24 2jon n ALA 9 N 3.93 1.33 -3.85 3.13 0.00 -1.26 -4.88 120.51 118.90 2jon n ALA 9 Ca -0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2jon n ALA 9 Cb 0.52 -2.69 0.02 0.00 0.00 0.00 0.00 19.45 17.30 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 6.67 -1.34 1.35 0.00 0.00 -1.26 -5.16 121.76 122.02 2jon s ALA 10 Ca 1.01 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 2jon s ALA 10 Cb -0.59 0.73 0.28 0.00 0.00 0.00 0.00 23.12 23.53 2jon s ALA 10 CO 0.44 -1.04 0.62 0.41 0.00 0.00 0.00 175.76 176.19 2jon n GLY 11 N -0.63 -3.87 3.17 0.00 0.00 -1.26 -5.01 105.19 97.58 2jon n GLY 11 Ca -0.05 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.77 0.03 -0.25 1.61 0.01 -1.26 -4.56 113.70 106.51 2jon s SER 12 Ca 0.48 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 2jon s SER 12 Cb -0.08 0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.55 2jon s SER 12 CO 0.40 -0.52 0.44 0.26 0.41 0.00 0.00 173.24 174.23 2jon s TRP 13 N -2.35 -0.99 -0.45 2.43 0.51 -1.25 -4.73 118.94 112.11 2jon s TRP 13 Ca -0.07 1.18 -0.29 0.00 -2.12 0.00 0.00 56.10 54.81 2jon s TRP 13 Cb -0.02 0.20 0.03 0.00 -0.81 0.00 0.00 33.47 32.87 2jon s TRP 13 CO -0.03 -0.70 1.16 0.00 -0.51 0.00 0.00 176.95 176.87 2jon s VAL 15 N 4.48 0.00 -0.03 0.00 -7.23 -0.50 -4.83 120.40 112.29 2jon s VAL 15 Ca 0.49 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.36 2jon s VAL 15 Cb -0.08 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2jon s VAL 15 CO 0.30 -0.00 1.48 -2.16 -0.31 0.00 0.00 175.10 174.41 2jon s PRO 16 N -2.70 4.24 -0.26 4.82 0.04 -1.16 -3.48 135.00 136.50 2jon s PRO 16 Ca -0.04 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 62.66 2jon s PRO 16 Cb -0.01 -3.72 -0.12 0.00 0.04 0.00 0.00 34.50 30.69 2jon s PRO 16 CO -0.04 -0.69 2.03 1.63 0.04 0.00 0.00 177.00 179.98 2jon n LYS 17 N 6.08 1.43 -2.04 4.56 4.76 -0.51 -4.84 118.16 127.60 2jon n LYS 17 Ca 0.15 0.46 -0.38 0.00 -2.87 0.00 0.00 58.31 55.67 2jon n LYS 17 Cb 0.43 -2.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.10 2jon n LYS 17 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jon s PRO 18 N 5.17 2.62 0.00 1.97 0.04 -1.26 -2.70 135.00 140.84 2jon s PRO 18 Ca 1.03 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2jon s PRO 18 Cb -0.82 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2jon s PRO 18 CO 0.52 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 175.23 2jon n GLY 19 N 5.72 1.37 3.34 0.56 0.00 -1.26 -5.14 105.19 109.77 2jon n GLY 19 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2jon n GLY 19 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jon n VAL 20 N 0.00 0.00 -1.47 1.61 3.14 -1.10 -4.75 118.33 115.77 2jon n VAL 20 Ca 0.00 -0.30 -0.49 0.00 -2.96 0.00 0.00 64.34 60.59 2jon n VAL 20 Cb 0.00 -0.94 -0.07 0.00 -1.06 0.00 0.00 33.84 31.77 2jon n VAL 20 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jon n SER 21 N -4.91 2.19 -0.05 6.55 7.64 -1.26 -4.85 113.62 118.93 2jon n SER 21 Ca 0.06 0.33 -0.02 0.00 1.01 0.00 0.00 58.87 60.25 2jon n SER 21 Cb 0.56 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 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 13.06 -0.35 -1.34 6.43 3.32 -1.97 0.69 116.42 136.26 2jon h ASP 22 Ca -0.27 0.05 0.39 0.00 0.02 0.00 0.00 57.03 57.21 2jon h ASP 22 Cb 1.31 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.95 2jon h ASP 22 CO 1.03 -0.05 1.23 -0.78 -1.72 0.00 0.00 179.24 178.96 2jon h ASP 23 N -0.03 0.00 0.12 6.45 3.58 -1.99 0.60 116.42 125.15 2jon h ASP 23 Ca 0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2jon h ASP 23 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2jon h ASP 23 CO -0.13 0.00 -0.06 -0.61 -2.88 0.00 0.00 179.24 175.56 2jon h GLN 24 N 0.00 -0.16 -0.12 0.28 -0.00 0.05 -3.07 115.11 112.09 2jon h GLN 24 Ca 0.64 0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 59.17 2jon h GLN 24 Cb 3.10 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 30.61 2jon h GLN 24 CO -0.01 0.06 -0.49 -0.07 0.00 0.00 0.00 178.83 178.33 2jon h LEU 25 N -0.36 0.34 -1.46 -2.39 -0.00 0.34 -2.89 115.31 108.89 2jon h LEU 25 Ca -0.02 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2jon h LEU 25 Cb 0.30 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2jon h LEU 25 CO 0.03 0.78 0.42 0.74 -0.00 0.00 0.00 178.44 180.41 2jon h THR 26 N 0.25 0.00 0.00 0.22 2.02 -1.22 0.57 112.91 114.75 2jon h THR 26 Ca 0.01 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.03 2jon h THR 26 Cb 0.95 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2jon h THR 26 CO 0.08 0.00 -0.84 1.23 0.37 0.00 0.00 175.52 176.36 2jon h GLY 27 N 0.00 0.00 0.98 2.16 0.00 -1.54 -3.26 103.07 101.42 2jon h GLY 27 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2jon h GLY 27 CO 0.00 0.00 0.23 3.43 0.00 0.00 0.00 176.54 180.20 2jon h ASN 28 N 0.00 0.40 0.28 0.19 2.35 -0.02 -0.84 115.58 117.94 2jon h ASN 28 Ca -0.03 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2jon h ASN 28 Cb 1.61 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.88 2jon h ASN 28 CO 0.10 0.29 -0.14 0.40 -1.65 0.00 0.00 177.43 176.43 2jon h ILE 29 N 0.47 0.76 -0.55 2.81 2.04 -1.66 0.42 117.51 121.79 2jon h ILE 29 Ca 0.13 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.81 2jon h ILE 29 Cb -0.04 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 2jon h ILE 29 CO -0.04 0.06 0.11 0.78 0.00 0.00 0.00 178.15 179.06 2jon h ASN 30 N -0.53 -0.02 0.52 1.72 2.35 -1.57 0.63 115.58 118.68 2jon h ASN 30 Ca -0.04 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2jon h ASN 30 Cb 0.39 0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.91 2jon h ASN 30 CO 0.06 0.01 -0.25 0.22 -1.65 0.00 0.00 177.43 175.82 2jon h TYR 31 N 0.24 -0.65 -0.89 1.19 3.20 -1.06 -3.19 116.97 115.80 2jon h TYR 31 Ca 0.29 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.36 2jon h TYR 31 Cb 0.41 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 2jon h TYR 31 CO -0.25 -0.39 0.60 0.00 -1.64 0.00 0.00 178.16 176.49 2jon h ALA 32 N -1.13 2.41 0.00 1.82 0.00 -0.01 0.36 119.26 122.71 2jon h ALA 32 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jon h ALA 32 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jon h ALA 32 CO 0.12 -0.68 0.08 0.00 0.00 0.00 0.00 179.25 178.76 2jon n SER 34 N -1.64 2.74 -0.10 0.00 7.64 0.13 -4.45 113.62 117.94 2jon n SER 34 Ca -0.00 -2.85 -0.19 0.00 1.01 0.00 0.00 58.87 56.83 2jon n SER 34 Cb 0.08 -0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 2jon n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jon n GLN 35 N -0.94 0.55 0.00 1.43 1.13 0.15 -5.09 117.38 114.60 2jon n GLN 35 Ca 0.15 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.75 2jon n GLN 35 Cb 0.64 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 1.45 -1.50 0.54 1.08 0.00 -1.25 -4.93 105.19 100.58 2jon n GLY 36 Ca -0.29 0.61 0.01 0.00 0.00 0.00 0.00 46.02 46.34 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 0.24 0.07 -0.61 -0.00 -1.26 -4.08 119.36 113.72 2jon n ILE 37 Ca 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 62.75 62.58 2jon n ILE 37 Cb 0.00 -0.37 -0.02 0.00 -0.00 0.00 0.00 39.64 39.25 2jon n ILE 37 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2jon h ASP 38 N 0.41 -0.22 -3.11 7.28 5.19 -1.91 -3.40 116.42 120.66 2jon h ASP 38 Ca 0.00 0.01 -0.55 0.00 -0.62 0.00 0.00 57.03 55.87 2jon h ASP 38 Cb 0.54 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 2jon h ASP 38 CO 0.04 0.13 0.67 0.00 -3.12 0.00 0.00 179.24 176.96 2jon n GLY 40 N 3.33 2.21 0.00 0.00 0.00 -1.26 -4.85 105.19 104.62 2jon n GLY 40 Ca 0.10 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.11 1.61 -0.04 -1.26 -3.24 135.00 132.45 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 0.32 -2.70 0.52 -5.35 -1.26 -4.79 119.36 105.40 2jon n ILE 42 Ca 0.05 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 2jon n ILE 42 Cb 0.02 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 37.53 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 4.54 1.02 6.28 -0.21 -1.20 -4.70 119.66 124.03 2jon s GLN 43 Ca 0.07 1.42 -0.13 0.00 0.02 0.00 0.00 55.36 56.75 2jon s GLN 43 Cb 0.05 -3.47 0.20 0.00 1.00 0.00 0.00 33.01 30.79 2jon s GLN 43 CO 0.03 -0.08 1.09 -1.25 -2.12 0.00 0.00 175.29 172.96 2jon s PRO 44 N 1.12 0.29 -0.06 2.91 0.04 -1.26 -5.03 135.00 133.01 2jon s PRO 44 Ca 0.52 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2jon s PRO 44 Cb -0.21 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2jon s PRO 44 CO 0.27 -2.82 -0.05 0.41 0.04 0.00 0.00 177.00 174.85 2jon n GLY 45 N -1.08 -0.08 0.00 0.56 0.00 -1.26 -5.05 105.19 98.28 2jon n GLY 45 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 3.16 1.44 0.06 -0.02 0.00 -1.26 -5.02 105.19 103.55 2jon n GLY 46 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.89 -0.05 4.61 0.00 -1.96 -3.39 119.26 117.59 2jon h ALA 47 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jon h ALA 47 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jon h ALA 47 CO 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 179.25 178.38 2jon h PHE 49 N 0.44 -0.37 -3.08 0.00 3.57 -1.96 -3.39 116.94 112.14 2jon h PHE 49 Ca 0.00 0.02 -0.60 0.00 3.53 0.00 0.00 57.97 60.92 2jon h PHE 49 Cb 0.38 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 2jon h PHE 49 CO 0.03 -0.08 -0.20 -1.21 -2.23 0.00 0.00 178.31 174.62 2jon s GLU 50 N -3.50 4.01 0.31 1.11 0.41 -1.26 -2.01 118.70 117.77 2jon s GLU 50 Ca -0.02 0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 54.64 2jon s GLU 50 Cb 0.02 -3.27 -0.10 0.00 -1.78 0.00 0.00 34.13 29.00 2jon s GLU 50 CO 0.12 0.58 1.23 -1.25 -0.49 0.00 0.00 175.26 175.45 2jon s PRO 51 N -0.71 4.46 -0.12 0.39 0.04 -1.26 -5.05 135.00 132.75 2jon s PRO 51 Ca 0.24 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 2jon s PRO 51 Cb -0.16 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2jon s PRO 51 CO 0.12 -0.04 -0.05 0.54 0.04 0.00 0.00 177.00 177.61 2jon s ASN 52 N -0.62 4.72 0.75 6.66 2.20 -0.85 -5.09 114.94 122.71 2jon s ASN 52 Ca 0.47 -0.09 -0.06 0.00 -0.94 0.00 0.00 52.86 52.24 2jon s ASN 52 Cb -0.37 -1.56 0.11 0.00 -2.00 0.00 0.00 41.25 37.43 2jon s ASN 52 CO 0.48 0.24 1.06 -0.89 -2.94 0.00 0.00 177.10 175.05 2jon s THR 53 N -0.08 2.20 0.02 0.54 2.01 -1.26 -4.98 115.64 114.09 2jon s THR 53 Ca 0.01 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 2jon s THR 53 Cb -0.13 -2.85 -0.16 0.00 0.01 0.00 0.00 72.50 69.36 2jon s THR 53 CO 0.03 0.00 1.27 0.58 -0.69 0.00 0.00 174.62 175.80 2jon h VAL 54 N -0.75 0.53 0.00 3.82 2.07 -1.99 -2.79 116.25 117.14 2jon h VAL 54 Ca -0.42 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2jon h VAL 54 Cb 1.28 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jon h VAL 54 CO 0.48 0.08 0.00 2.29 0.02 0.00 0.00 177.57 180.44 2jon n LYS 55 N -5.22 0.92 -0.16 1.57 0.00 -1.26 -4.09 118.16 109.92 2jon n LYS 55 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.19 2jon n LYS 55 Cb 0.29 -1.17 0.06 0.00 -0.00 0.00 0.00 35.03 34.21 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 2.51 0.45 -0.63 0.58 0.00 -1.87 -1.28 119.26 119.01 2jon h ALA 56 Ca 0.00 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.21 2jon h ALA 56 Cb 0.17 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2jon h ALA 56 CO 0.00 -0.40 0.00 0.45 0.00 0.00 0.00 179.25 179.30 2jon h HIS 57 N 0.08 -0.04 -0.86 0.00 3.86 -1.81 0.14 115.15 116.52 2jon h HIS 57 Ca 0.25 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.57 2jon h HIS 57 Cb 0.39 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.92 2jon h HIS 57 CO -0.34 -0.17 0.56 0.00 0.86 0.00 0.00 177.93 178.83 2jon h ALA 58 N 1.58 1.55 -0.86 2.45 0.00 -1.56 -1.46 119.26 120.96 2jon h ALA 58 Ca 0.33 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.32 2jon h ALA 58 Cb 0.54 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2jon h ALA 58 CO -0.54 0.33 0.56 0.00 0.00 0.00 0.00 179.25 179.59 2jon h ALA 59 N 1.53 1.69 0.53 0.00 0.00 -0.32 0.14 119.26 122.83 2jon h ALA 59 Ca 0.37 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2jon h ALA 59 Cb 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jon h ALA 59 CO -0.13 0.14 -0.26 -0.92 0.00 0.00 0.00 179.25 178.08 2jon h TYR 60 N 0.83 -0.67 -0.97 0.00 5.03 -1.05 -3.24 116.97 116.91 2jon h TYR 60 Ca 0.40 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.81 2jon h TYR 60 Cb 0.43 0.22 -0.08 0.00 1.55 0.00 0.00 36.73 38.86 2jon h TYR 60 CO -0.00 -0.38 0.62 -0.24 -1.32 0.00 0.00 178.16 176.84 2jon h VAL 61 N -1.15 0.91 -1.30 1.81 3.04 -1.29 -0.69 116.25 117.59 2jon h VAL 61 Ca -0.07 -0.32 0.38 0.00 -1.01 0.00 0.00 66.70 65.68 2jon h VAL 61 Cb 0.59 -0.10 -0.08 0.00 -2.01 0.00 0.00 31.29 29.69 2jon h VAL 61 CO 0.12 0.17 0.90 0.24 -1.01 0.00 0.00 177.57 177.99 2jon h MET 62 N 0.93 0.10 0.27 4.17 2.86 -0.74 0.36 114.93 122.88 2jon h MET 62 Ca 0.48 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 2jon h MET 62 Cb 0.52 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2jon h MET 62 CO -0.24 0.07 -0.13 -0.97 1.06 0.00 0.00 176.91 176.70 2jon h ASN 63 N 0.11 -0.30 0.79 1.22 -0.00 -1.19 -2.38 115.58 113.82 2jon h ASN 63 Ca 0.68 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.95 2jon h ASN 63 Cb 2.38 0.08 0.01 0.00 -0.00 0.00 0.00 38.32 40.79 2jon h ASN 63 CO -0.15 -0.18 -0.38 0.17 -0.00 0.00 0.00 177.43 176.89 2jon h LEU 64 N -0.44 -0.90 -0.98 0.34 -0.00 -1.43 -2.95 115.31 108.95 2jon h LEU 64 Ca -0.04 0.02 0.34 0.00 -0.00 0.00 0.00 57.88 58.21 2jon h LEU 64 Cb 0.28 0.23 -0.18 0.00 -0.00 0.00 0.00 40.66 40.99 2jon h LEU 64 CO 0.06 -0.55 0.29 0.00 -0.00 0.00 0.00 178.44 178.24 2jon n TYR 65 N -5.49 0.90 -0.30 0.17 4.19 0.12 0.17 117.16 116.93 2jon n TYR 65 Ca -0.14 1.17 -0.04 0.00 3.31 0.00 0.00 57.90 62.20 2jon n TYR 65 Cb 0.42 -1.41 0.07 0.00 0.49 0.00 0.00 39.34 38.92 2jon n TYR 65 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 2jon h TYR 66 N 0.00 1.09 -0.01 2.98 5.03 -1.31 -1.96 116.97 122.79 2jon h TYR 66 Ca 0.72 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 62.02 2jon h TYR 66 Cb 1.74 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 39.67 2jon h TYR 66 CO -0.24 0.74 -0.22 1.04 -1.32 0.00 0.00 178.16 178.15 2jon n GLN 67 N -4.44 1.10 0.02 1.82 6.02 0.46 -1.51 117.38 120.84 2jon n GLN 67 Ca 0.08 -0.69 -0.19 0.00 -0.01 0.00 0.00 57.00 56.19 2jon n GLN 67 Cb 0.07 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.75 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 1.69 0.99 0.20 1.08 2.76 0.24 -3.35 115.15 118.76 2jon h HIS 68 Ca 0.00 -0.51 -0.01 0.00 -2.20 0.00 0.00 60.37 57.65 2jon h HIS 68 Cb 0.55 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2jon h HIS 68 CO 0.00 1.35 -0.10 0.00 -1.30 0.00 0.00 177.93 177.88 2jon h ALA 69 N 0.43 -0.29 0.00 5.26 0.00 -1.67 -3.46 119.26 119.53 2jon h ALA 69 Ca -0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jon h ALA 69 Cb 1.57 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2jon h ALA 69 CO 0.18 -0.27 -0.00 0.41 0.00 0.00 0.00 179.25 179.58 2jon n GLY 70 N 1.07 0.57 3.04 0.00 0.00 -1.25 -4.99 105.19 103.62 2jon n GLY 70 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.33 -3.47 1.61 1.74 -0.57 -4.95 116.66 107.69 2jon n ARG 71 Ca -0.00 0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 57.47 2jon n ARG 71 Cb 0.29 -5.29 -0.01 0.00 -1.02 0.00 0.00 32.46 26.42 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 -2.52 5.54 0.43 0.55 0.01 -1.24 -4.93 114.94 112.77 2jon s ASN 72 Ca 0.27 -0.43 0.23 0.00 -0.71 0.00 0.00 52.86 52.22 2jon s ASN 72 Cb -0.14 -0.90 0.91 0.00 0.41 0.00 0.00 41.25 41.53 2jon s ASN 72 CO 0.33 -0.53 1.82 0.77 -1.51 0.00 0.00 177.10 177.98 2jon h SER 73 N 0.95 0.00 0.00 -1.22 4.64 -1.93 -2.45 113.55 113.55 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 0.53 0.24 0.00 -2.67 -0.87 0.00 0.00 176.83 174.06 2jon n TRP 74 N -3.43 0.00 0.95 4.77 2.14 -1.26 -3.22 117.44 117.39 2jon n TRP 74 Ca -0.00 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.67 2jon n TRP 74 Cb 0.43 0.00 0.51 0.00 -0.81 0.00 0.00 31.31 31.44 2jon n TRP 74 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2jon n ASN 75 N -0.97 0.00 -4.41 -0.67 5.15 -0.92 -4.53 115.26 108.91 2jon n ASN 75 Ca 0.21 0.05 -0.44 0.00 -0.60 0.00 0.00 54.58 53.79 2jon n ASN 75 Cb 0.09 -0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 38.98 2jon n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jon n ASP 77 N 6.32 1.73 0.00 0.00 9.92 -1.26 -4.80 116.55 128.45 2jon n ASP 77 Ca -0.08 -1.58 0.00 0.00 -0.53 0.00 0.00 54.79 52.60 2jon n ASP 77 Cb 0.44 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2jon n ASP 77 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jon n PHE 78 N -0.09 0.00 -3.91 1.24 3.01 -1.26 -5.01 117.46 111.44 2jon n PHE 78 Ca 0.02 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.49 2jon n PHE 78 Cb 0.18 -0.42 0.01 0.00 -0.01 0.00 0.00 39.48 39.25 2jon n PHE 78 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2jon s SER 79 N -2.03 -0.01 0.00 4.37 0.01 -1.26 -4.87 113.70 109.91 2jon s SER 79 Ca 0.00 -0.31 0.08 0.00 1.31 0.00 0.00 55.95 57.03 2jon s SER 79 Cb 0.00 0.24 0.46 0.00 0.21 0.00 0.00 66.02 66.93 2jon s SER 79 CO 0.00 -0.47 1.05 0.00 0.41 0.00 0.00 173.24 174.23 2jon n GLN 80 N -0.79 0.19 -0.12 12.44 3.00 -1.26 -2.46 117.38 128.37 2jon n GLN 80 Ca 0.00 0.10 -0.26 0.00 -0.01 0.00 0.00 57.00 56.84 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 29.23 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2jon n THR 81 N -1.14 1.54 0.85 5.09 -2.24 -1.26 -4.32 114.28 112.79 2jon n THR 81 Ca 0.05 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2jon n THR 81 Cb 0.05 -1.79 0.02 0.00 -2.10 0.00 0.00 70.33 66.51 2jon n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jon n ALA 82 N -3.85 2.65 -2.02 6.98 0.00 -1.03 -1.42 120.51 121.82 2jon n ALA 82 Ca -0.49 -0.17 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 2jon n ALA 82 Cb 0.89 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 19.45 2jon n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jon n THR 83 N 0.18 0.00 -2.03 0.00 5.66 -1.17 -3.17 114.28 113.75 2jon n THR 83 Ca 0.03 -0.91 -0.42 0.00 -3.05 0.00 0.00 64.05 59.69 2jon n THR 83 Cb 0.43 -1.38 -0.03 0.00 -1.55 0.00 0.00 70.33 67.79 2jon n THR 83 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2jon s LEU 84 N 0.00 4.35 0.45 1.09 1.43 -1.26 -1.42 118.68 123.32 2jon s LEU 84 Ca 0.54 2.36 0.06 0.00 -1.03 0.00 0.00 54.13 56.05 2jon s LEU 84 Cb -0.02 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.65 2jon s LEU 84 CO 0.37 -0.82 0.62 0.28 0.23 0.00 0.00 176.35 177.02 2jon s THR 85 N 2.50 3.04 0.00 5.49 -1.32 0.93 -4.87 115.64 121.41 2jon s THR 85 Ca 0.70 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2jon s THR 85 Cb -0.37 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 2jon s THR 85 CO 0.30 -0.03 0.00 0.59 -2.21 0.00 0.00 174.62 173.28 2jon n ASN 86 N -1.97 -1.24 -4.06 8.08 3.02 -1.26 -3.82 115.26 114.01 2jon n ASN 86 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.28 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 -2.57 0.00 -1.49 3.41 5.66 -1.26 -4.50 114.28 113.53 2jon n THR 87 Ca 0.00 -0.10 -0.45 0.00 -3.05 0.00 0.00 64.05 60.45 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 1.57 1.98 0.00 1.09 4.05 -1.26 -4.77 115.26 117.92 2jon n ASN 88 Ca -0.01 0.15 0.07 0.00 0.45 0.00 0.00 54.58 55.25 2jon n ASN 88 Cb 0.66 -1.31 0.41 0.00 1.23 0.00 0.00 39.78 40.78 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 8.47 0.34 -1.48 1.20 -0.04 -1.26 -4.78 135.00 137.44 2jon n PRO 89 Ca 0.43 0.08 -0.46 0.00 -0.04 0.00 0.00 63.50 63.51 2jon n PRO 89 Cb 0.29 -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 -1.15 2.03 0.16 3.54 2.88 -1.26 -4.78 113.62 115.03 2jon n SER 90 Ca 0.09 0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.95 2jon n SER 90 Cb 0.09 -1.30 0.23 0.00 -0.75 0.00 0.00 64.21 62.47 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 13.86 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 126.13 2jon h TYR 91 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 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 0.97 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.54 2jon n GLY 92 N 1.20 -0.59 0.32 0.10 0.00 -1.26 -4.98 105.19 99.98 2jon n GLY 92 Ca 0.04 0.60 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 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 1.18 -1.48 4.61 0.00 -2.02 -3.39 119.26 118.16 2jon h ALA 93 Ca 0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.19 2jon h ALA 93 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2jon h ALA 93 CO 0.00 0.59 1.14 0.00 0.00 0.00 0.00 179.25 180.98 2jon s ASN 95 N 4.96 6.40 0.21 0.00 0.01 -1.26 -3.88 114.94 121.37 2jon s ASN 95 Ca 0.49 0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 52.97 2jon s ASN 95 Cb -0.10 -2.03 -0.07 0.00 0.41 0.00 0.00 41.25 39.47 2jon s ASN 95 CO 0.20 0.28 0.49 -0.36 -1.51 0.00 0.00 177.10 176.21 2jon s PHE 96 N -1.28 3.44 -0.19 2.20 0.40 -1.26 -5.02 117.98 116.27 2jon s PHE 96 Ca 0.26 0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 57.05 2jon s PHE 96 Cb -0.13 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 2jon s PHE 96 CO 0.16 0.31 1.59 -1.25 0.70 0.00 0.00 175.22 176.74 2jon s PRO 97 N -2.82 3.88 -0.12 0.24 0.04 -1.26 -4.87 135.00 130.08 2jon s PRO 97 Ca 0.45 1.73 0.15 0.00 0.04 0.00 0.00 61.00 63.37 2jon s PRO 97 Cb -0.11 -4.01 0.50 0.00 0.04 0.00 0.00 34.50 30.92 2jon s PRO 97 CO 0.23 -1.19 1.41 -1.13 0.04 0.00 0.00 177.00 176.36 2jon n SER 98 N 8.13 3.79 0.00 6.66 3.41 -1.26 -3.95 113.62 130.39 2jon n SER 98 Ca 0.18 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 2jon n SER 98 Cb 0.45 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.00 1.16 3.55 5.00 0.00 -1.26 -4.67 105.19 108.96 2jon n GLY 99 Ca 0.19 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.00 6.42 0.00 1.61 0.01 -1.26 -4.94 113.70 111.53 2jon s SER 100 Ca 0.00 -0.07 0.30 0.00 1.31 0.00 0.00 55.95 57.49 2jon s SER 100 Cb 0.00 -2.49 1.51 0.00 0.21 0.00 0.00 66.02 65.25 2jon s SER 100 CO 0.00 -1.30 2.00 -3.20 0.41 0.00 0.00 173.24 171.15