#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 4.74 0.90 0.00 -4.23 -1.26 -5.07 115.64 110.72 2jon s THR 2 Ca 0.00 1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 2jon s THR 2 Cb 0.00 -3.96 0.13 0.00 1.34 0.00 0.00 72.50 70.01 2jon s THR 2 CO 0.00 0.49 1.09 -2.16 -0.54 0.00 0.00 174.62 173.50 2jon s PRO 3 N -0.74 1.20 -0.05 3.99 0.04 -1.26 -5.08 135.00 133.10 2jon s PRO 3 Ca 0.31 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2jon s PRO 3 Cb -0.20 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2jon s PRO 3 CO 0.20 -2.28 0.11 0.95 0.04 0.00 0.00 177.00 176.02 2jon s THR 4 N -2.93 -0.09 0.72 1.26 -4.23 -1.26 -5.15 115.64 103.95 2jon s THR 4 Ca 0.64 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 61.27 2jon s THR 4 Cb -0.18 -0.20 0.03 0.00 1.34 0.00 0.00 72.50 73.50 2jon s THR 4 CO 0.57 0.10 1.10 -2.16 -0.54 0.00 0.00 174.62 173.69 2jon s PRO 5 N 1.43 2.50 -0.27 3.99 0.04 -1.26 -5.06 135.00 136.38 2jon s PRO 5 Ca -0.06 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 2jon s PRO 5 Cb -0.12 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.60 2jon s PRO 5 CO -0.05 -1.46 0.19 0.99 0.04 0.00 0.00 177.00 176.70 2jon s THR 6 N -2.65 -0.20 -2.00 1.26 2.01 -1.26 -4.99 115.64 107.81 2jon s THR 6 Ca 0.64 -0.56 0.10 0.00 0.31 0.00 0.00 61.69 62.18 2jon s THR 6 Cb -0.19 -0.91 0.29 0.00 0.01 0.00 0.00 72.50 71.70 2jon s THR 6 CO 0.49 -0.55 1.04 -0.81 -0.69 0.00 0.00 174.62 174.10 2jon n PRO 7 N 5.28 0.49 -1.52 4.92 -0.04 -1.26 -4.78 135.00 138.09 2jon n PRO 7 Ca -0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 2jon n PRO 7 Cb 0.45 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 2jon n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jon n LYS 8 N -0.83 0.74 -1.31 0.54 4.81 -1.26 -4.91 118.16 115.94 2jon n LYS 8 Ca 0.08 0.06 -0.29 0.00 -0.87 0.00 0.00 58.31 57.29 2jon n LYS 8 Cb 0.03 -2.66 0.15 0.00 0.02 0.00 0.00 35.03 32.57 2jon n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jon s ALA 9 N 10.29 1.38 0.24 3.14 0.00 -1.26 -5.04 121.76 130.52 2jon s ALA 9 Ca 1.12 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 2jon s ALA 9 Cb -0.64 -3.10 0.07 0.00 0.00 0.00 0.00 23.12 19.45 2jon s ALA 9 CO 0.38 -2.51 0.96 0.00 0.00 0.00 0.00 175.76 174.58 2jon s ALA 10 N -3.07 -1.35 0.00 0.00 0.00 -1.26 -4.84 121.76 111.25 2jon s ALA 10 Ca 0.64 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2jon s ALA 10 Cb -0.17 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2jon s ALA 10 CO 0.56 -1.04 0.05 0.41 0.00 0.00 0.00 175.76 175.74 2jon n GLY 11 N -0.63 0.77 3.02 0.00 0.00 -1.26 -4.76 105.19 102.32 2jon n GLY 11 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.62 0.11 -0.13 1.61 0.01 -1.26 -4.54 113.70 108.88 2jon s SER 12 Ca 0.00 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 2jon s SER 12 Cb 0.00 0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.43 2jon s SER 12 CO 0.00 -0.28 0.15 0.26 0.41 0.00 0.00 173.24 173.79 2jon s TRP 13 N -1.17 -0.10 -0.49 2.43 0.51 -1.25 -4.46 118.94 114.40 2jon s TRP 13 Ca -0.13 0.28 -0.25 0.00 -2.12 0.00 0.00 56.10 53.87 2jon s TRP 13 Cb -0.08 -0.40 0.03 0.00 -0.81 0.00 0.00 33.47 32.22 2jon s TRP 13 CO 0.00 -0.41 0.96 0.00 -0.51 0.00 0.00 176.95 176.99 2jon s VAL 15 N 3.93 0.01 -0.08 0.00 -7.23 -0.63 -4.78 120.40 111.62 2jon s VAL 15 Ca 0.36 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 2jon s VAL 15 Cb -0.10 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2jon s VAL 15 CO 0.25 -0.05 1.51 -2.16 -0.31 0.00 0.00 175.10 174.33 2jon s PRO 16 N -2.27 4.21 -0.21 4.82 0.04 -1.16 -3.56 135.00 136.86 2jon s PRO 16 Ca -0.06 2.01 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 2jon s PRO 16 Cb -0.01 -3.86 -0.13 0.00 0.04 0.00 0.00 34.50 30.55 2jon s PRO 16 CO 0.00 -0.77 1.91 1.63 0.04 0.00 0.00 177.00 179.81 2jon n LYS 17 N 6.73 1.61 -2.06 4.56 5.02 -0.70 -4.82 118.16 128.50 2jon n LYS 17 Ca 0.16 0.56 -0.27 0.00 -2.02 0.00 0.00 58.31 56.74 2jon n LYS 17 Cb 0.43 -2.44 -0.06 0.00 -0.02 0.00 0.00 35.03 32.94 2jon n LYS 17 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jon s PRO 18 N 4.43 2.52 0.00 1.97 0.04 -1.26 -2.53 135.00 140.17 2jon s PRO 18 Ca 0.98 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2jon s PRO 18 Cb -0.84 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 28.55 2jon s PRO 18 CO 0.56 -3.68 0.00 0.41 0.04 0.00 0.00 177.00 174.32 2jon n GLY 19 N 6.34 0.29 3.54 0.56 0.00 -1.26 -5.15 105.19 109.51 2jon n GLY 19 Ca 0.42 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 -1.52 1.61 0.31 -1.05 -4.79 118.33 112.89 2jon n VAL 20 Ca 0.00 -0.25 -0.49 0.00 -0.01 0.00 0.00 64.34 63.60 2jon n VAL 20 Cb 0.00 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 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 -4.30 2.60 -0.16 4.52 7.64 -1.26 -4.83 113.62 117.83 2jon n SER 21 Ca 0.07 0.46 -0.04 0.00 1.01 0.00 0.00 58.87 60.36 2jon n SER 21 Cb 0.54 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 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 9.71 -0.40 -0.33 6.43 9.92 -1.26 0.21 116.55 140.84 2jon n ASP 22 Ca 0.35 0.98 0.23 0.00 -0.53 0.00 0.00 54.79 55.83 2jon n ASP 22 Cb 0.29 -0.24 0.46 0.00 -0.64 0.00 0.00 41.12 40.98 2jon n ASP 22 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2jon h ASP 23 N 0.00 0.41 -0.04 -2.24 3.32 -1.96 0.38 116.42 116.28 2jon h ASP 23 Ca 0.06 0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.33 2jon h ASP 23 Cb 0.15 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2jon h ASP 23 CO -0.35 -0.18 -0.04 -0.61 -1.72 0.00 0.00 179.24 176.34 2jon h GLN 24 N 0.27 -0.05 0.00 3.56 5.75 0.21 -2.36 115.11 122.49 2jon h GLN 24 Ca 0.72 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 59.12 2jon h GLN 24 Cb 1.65 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 30.20 2jon h GLN 24 CO -0.64 -0.04 -0.51 -0.07 -2.65 0.00 0.00 178.83 174.93 2jon h LEU 25 N -0.06 0.00 0.00 -2.39 -0.00 0.09 -2.69 115.31 110.26 2jon h LEU 25 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2jon h LEU 25 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2jon h LEU 25 CO -0.08 0.51 0.00 0.41 -0.00 0.00 0.00 178.44 179.28 2jon n THR 26 N -3.83 0.03 -0.05 0.22 -1.04 0.98 -2.30 114.28 108.29 2jon n THR 26 Ca -0.01 0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.82 2jon n THR 26 Cb 0.54 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 68.07 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 -0.35 -0.56 0.29 3.41 0.00 -1.01 -4.12 105.19 102.85 2jon n GLY 27 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.04 0.52 -0.34 1.61 7.08 -1.61 -1.65 115.58 121.23 2jon h ASN 28 Ca -0.47 0.07 0.01 0.00 -3.08 0.00 0.00 56.30 52.84 2jon h ASN 28 Cb 2.00 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 38.20 2jon h ASN 28 CO 0.03 0.26 0.20 0.40 -2.08 0.00 0.00 177.43 176.24 2jon h ILE 29 N 0.64 1.03 -0.81 6.14 2.04 -1.75 -0.04 117.51 124.75 2jon h ILE 29 Ca 0.41 -0.14 0.19 0.00 1.00 0.00 0.00 64.86 66.32 2jon h ILE 29 Cb 0.49 0.60 -0.12 0.00 -0.74 0.00 0.00 36.82 37.05 2jon h ILE 29 CO -0.31 0.07 0.28 0.78 0.00 0.00 0.00 178.15 178.97 2jon h ASN 30 N 0.40 0.16 -0.01 1.72 2.35 -1.46 0.22 115.58 118.97 2jon h ASN 30 Ca 0.13 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 2jon h ASN 30 Cb 0.01 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jon h ASN 30 CO -0.07 -0.01 -0.08 0.22 -1.65 0.00 0.00 177.43 175.84 2jon h TYR 31 N 0.34 0.11 -0.70 1.19 3.20 -1.26 -3.29 116.97 116.55 2jon h TYR 31 Ca 0.48 -0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.43 2jon h TYR 31 Cb 0.86 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 39.02 2jon h TYR 31 CO -0.21 0.75 0.25 0.00 -1.64 0.00 0.00 178.16 177.31 2jon h ALA 32 N 0.34 0.94 0.00 1.82 0.00 -0.12 0.46 119.26 122.70 2jon h ALA 32 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jon h ALA 32 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jon h ALA 32 CO 0.02 -0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.11 2jon n SER 34 N -1.78 2.41 -0.11 0.00 2.88 0.16 -4.10 113.62 113.09 2jon n SER 34 Ca -0.01 -1.89 -0.22 0.00 -1.33 0.00 0.00 58.87 55.43 2jon n SER 34 Cb 0.09 -0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.81 0.65 0.00 -1.46 0.00 0.16 -5.04 117.38 112.49 2jon n GLN 35 Ca 0.17 0.22 0.00 0.00 -0.00 0.00 0.00 57.00 57.39 2jon n GLN 35 Cb 0.42 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.11 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 1.92 3.56 0.64 1.69 0.00 -1.25 -4.88 105.19 106.88 2jon n GLY 36 Ca -0.45 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 0.40 -0.05 -0.61 -5.35 -1.26 -4.23 119.36 108.25 2jon n ILE 37 Ca 0.00 -0.44 -0.03 0.00 -0.27 0.00 0.00 62.75 62.01 2jon n ILE 37 Cb 0.00 0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 38.18 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 2.16 0.00 -3.08 7.28 3.58 -1.90 -3.42 116.42 121.04 2jon h ASP 38 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 2jon h ASP 38 Cb 0.49 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2jon h ASP 38 CO 0.00 0.55 0.71 0.00 -2.88 0.00 0.00 179.24 177.62 2jon n GLY 40 N 3.36 2.37 0.00 0.00 0.00 -1.26 -4.80 105.19 104.85 2jon n GLY 40 Ca 0.11 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.12 1.61 -0.04 -1.26 -3.16 135.00 132.52 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 -1.29 0.06 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.79 0.35 -2.74 0.52 -5.35 -1.23 -4.80 119.36 105.32 2jon n ILE 42 Ca 0.07 -0.19 -0.37 0.00 -0.27 0.00 0.00 62.75 61.98 2jon n ILE 42 Cb 0.03 -0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 37.52 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 -1.38 4.54 0.50 6.28 -1.52 -1.19 -4.60 119.66 122.29 2jon s GLN 43 Ca 0.08 1.37 -0.21 0.00 -1.95 0.00 0.00 55.36 54.65 2jon s GLN 43 Cb 0.06 -2.79 -0.07 0.00 -0.22 0.00 0.00 33.01 29.99 2jon s GLN 43 CO 0.03 0.23 1.15 -1.25 -0.25 0.00 0.00 175.29 175.19 2jon s PRO 44 N -2.07 3.56 -0.23 2.91 0.04 -1.26 -4.99 135.00 132.96 2jon s PRO 44 Ca 0.51 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2jon s PRO 44 Cb -0.20 -2.21 -0.16 0.00 0.04 0.00 0.00 34.50 31.97 2jon s PRO 44 CO 0.25 -0.69 -0.19 0.41 0.04 0.00 0.00 177.00 176.81 2jon n GLY 45 N 0.31 -0.37 0.00 0.56 0.00 -1.26 -5.02 105.19 99.41 2jon n GLY 45 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.33 0.67 0.01 -0.02 0.00 -1.26 -5.07 105.19 101.85 2jon n GLY 46 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 2jon n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon n ALA 47 N 0.00 0.10 0.10 4.61 0.00 -1.26 -4.82 120.51 119.24 2jon n ALA 47 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.18 2jon n ALA 47 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jon n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon n PHE 49 N -0.66 -0.11 -3.65 0.00 7.35 -1.26 -3.92 117.46 115.20 2jon n PHE 49 Ca 0.01 0.89 -0.36 0.00 -0.76 0.00 0.00 57.45 57.22 2jon n PHE 49 Cb 0.04 -0.69 -0.09 0.00 0.35 0.00 0.00 39.48 39.09 2jon n PHE 49 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jon s GLU 50 N -5.56 4.10 0.56 -4.13 0.41 -1.26 0.05 118.70 112.87 2jon s GLU 50 Ca -0.09 -0.23 -0.19 0.00 -0.41 0.00 0.00 54.97 54.05 2jon s GLU 50 Cb 0.12 -3.52 -0.05 0.00 -1.78 0.00 0.00 34.13 28.90 2jon s GLU 50 CO 0.49 0.09 1.13 -1.25 -0.49 0.00 0.00 175.26 175.22 2jon s PRO 51 N 0.96 3.29 -0.12 0.39 0.04 -1.25 -5.04 135.00 133.27 2jon s PRO 51 Ca 0.08 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 2jon s PRO 51 Cb -0.13 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2jon s PRO 51 CO 0.04 -0.90 -0.08 0.54 0.04 0.00 0.00 177.00 176.64 2jon s ASN 52 N -1.89 4.47 0.64 6.66 2.20 0.11 -5.01 114.94 122.12 2jon s ASN 52 Ca 0.72 -0.16 0.03 0.00 -0.94 0.00 0.00 52.86 52.51 2jon s ASN 52 Cb -0.23 -1.49 0.10 0.00 -2.00 0.00 0.00 41.25 37.62 2jon s ASN 52 CO 0.29 0.24 0.89 0.42 -2.94 0.00 0.00 177.10 175.99 2jon s THR 53 N -0.05 2.25 0.02 0.54 -4.23 -1.26 -4.99 115.64 107.92 2jon s THR 53 Ca -0.00 -0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 59.50 2jon s THR 53 Cb -0.14 -2.51 -0.17 0.00 1.34 0.00 0.00 72.50 71.03 2jon s THR 53 CO 0.03 0.00 1.32 0.58 -0.54 0.00 0.00 174.62 176.01 2jon h VAL 54 N -0.19 0.62 -0.05 2.29 2.07 -1.98 -2.80 116.25 116.21 2jon h VAL 54 Ca -0.35 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2jon h VAL 54 Cb 1.28 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2jon h VAL 54 CO 0.42 0.08 0.00 2.29 0.02 0.00 0.00 177.57 180.38 2jon n LYS 55 N -5.19 1.30 -0.34 1.57 0.00 -1.26 -4.20 118.16 110.04 2jon n LYS 55 Ca -0.10 -0.26 0.14 0.00 -0.00 0.00 0.00 58.31 58.08 2jon n LYS 55 Cb 0.27 -1.46 0.35 0.00 -0.00 0.00 0.00 35.03 34.19 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 2.37 1.75 0.55 0.58 0.00 -1.88 -1.98 119.26 120.64 2jon h ALA 56 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jon h ALA 56 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jon h ALA 56 CO 0.03 -0.11 -0.40 0.45 0.00 0.00 0.00 179.25 179.22 2jon h HIS 57 N 0.72 -1.07 -1.00 0.00 3.86 -1.81 -2.23 115.15 113.61 2jon h HIS 57 Ca 0.57 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 60.01 2jon h HIS 57 Cb 0.94 0.40 -0.09 0.00 1.06 0.00 0.00 27.41 29.72 2jon h HIS 57 CO -0.00 -0.58 0.64 0.00 0.86 0.00 0.00 177.93 178.85 2jon h ALA 58 N -0.61 2.15 -0.59 2.45 0.00 -1.71 0.88 119.26 121.83 2jon h ALA 58 Ca -0.06 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jon h ALA 58 Cb 0.77 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jon h ALA 58 CO 0.02 -0.52 0.37 0.00 0.00 0.00 0.00 179.25 179.12 2jon h ALA 59 N 1.62 0.76 0.56 0.00 0.00 -0.99 0.33 119.26 121.54 2jon h ALA 59 Ca 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2jon h ALA 59 Cb 1.34 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jon h ALA 59 CO -0.28 0.13 -0.27 -0.92 0.00 0.00 0.00 179.25 177.91 2jon h TYR 60 N 0.75 -0.69 -0.80 0.00 5.03 -0.55 -3.20 116.97 117.50 2jon h TYR 60 Ca 0.23 -0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.65 2jon h TYR 60 Cb -0.02 0.23 -0.06 0.00 1.55 0.00 0.00 36.73 38.43 2jon h TYR 60 CO -0.05 -0.39 0.52 -0.24 -1.32 0.00 0.00 178.16 176.68 2jon h VAL 61 N -1.15 0.87 -1.30 1.81 3.04 -1.33 -0.72 116.25 117.48 2jon h VAL 61 Ca -0.08 -0.21 0.38 0.00 -1.01 0.00 0.00 66.70 65.78 2jon h VAL 61 Cb 0.61 0.20 -0.05 0.00 -2.01 0.00 0.00 31.29 30.04 2jon h VAL 61 CO 0.13 0.11 0.96 0.24 -1.01 0.00 0.00 177.57 178.00 2jon h MET 62 N 0.62 0.00 0.36 4.17 2.86 -0.32 0.40 114.93 123.01 2jon h MET 62 Ca 0.38 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 2jon h MET 62 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2jon h MET 62 CO -0.15 0.00 -0.17 -0.97 1.06 0.00 0.00 176.91 176.68 2jon h ASN 63 N 0.00 -0.41 -0.14 1.22 -0.73 -1.23 -1.42 115.58 112.88 2jon h ASN 63 Ca 0.62 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.78 2jon h ASN 63 Cb 2.53 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 41.22 2jon h ASN 63 CO -0.01 -0.24 0.02 0.17 -0.37 0.00 0.00 177.43 177.00 2jon h LEU 64 N -0.58 0.23 -0.63 0.34 -0.00 -1.44 -2.91 115.31 110.32 2jon h LEU 64 Ca -0.05 -0.28 0.13 0.00 -0.00 0.00 0.00 57.88 57.69 2jon h LEU 64 Cb 0.37 -0.06 -0.10 0.00 -0.00 0.00 0.00 40.66 40.86 2jon h LEU 64 CO 0.08 0.45 0.05 0.22 -0.00 0.00 0.00 178.44 179.24 2jon h TYR 65 N 0.00 0.04 -0.06 0.17 5.03 -0.36 0.89 116.97 122.68 2jon h TYR 65 Ca 0.04 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 2jon h TYR 65 Cb 0.32 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.68 2jon h TYR 65 CO 0.02 -0.13 0.01 -0.92 -1.32 0.00 0.00 178.16 175.82 2jon h TYR 66 N 0.16 0.08 -0.26 -3.82 5.03 -1.17 -0.41 116.97 116.57 2jon h TYR 66 Ca 0.34 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.65 2jon h TYR 66 Cb 0.54 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.80 2jon h TYR 66 CO -0.33 0.08 0.00 1.04 -1.32 0.00 0.00 178.16 177.63 2jon n GLN 67 N -4.50 2.38 -0.04 1.82 6.02 0.10 -1.88 117.38 121.30 2jon n GLN 67 Ca -0.02 -2.06 -0.14 0.00 -0.01 0.00 0.00 57.00 54.77 2jon n GLN 67 Cb 0.11 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 2jon n GLN 67 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 2jon h HIS 68 N 4.34 0.13 0.23 1.08 2.07 0.24 -3.36 115.15 119.87 2jon h HIS 68 Ca 0.00 -0.07 -0.01 0.00 -2.85 0.00 0.00 60.37 57.44 2jon h HIS 68 Cb 0.94 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.91 2jon h HIS 68 CO 0.16 0.84 -0.11 0.00 -3.07 0.00 0.00 177.93 175.75 2jon h ALA 69 N 0.25 -0.31 0.00 6.11 0.00 -1.76 -3.45 119.26 120.11 2jon h ALA 69 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jon h ALA 69 Cb 0.87 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jon h ALA 69 CO 0.02 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2jon n GLY 70 N 0.19 0.00 3.83 0.00 0.00 -1.26 -4.99 105.19 102.95 2jon n GLY 70 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.50 -4.29 1.61 1.74 -0.79 -4.98 116.66 105.46 2jon n ARG 71 Ca 0.00 0.55 -0.23 0.00 -0.77 0.00 0.00 57.85 57.39 2jon n ARG 71 Cb 0.00 -5.05 -0.08 0.00 -1.02 0.00 0.00 32.46 26.32 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 -4.15 4.39 0.48 0.55 0.01 -1.22 -4.88 114.94 110.11 2jon s ASN 72 Ca 0.14 -0.79 0.26 0.00 -0.71 0.00 0.00 52.86 51.76 2jon s ASN 72 Cb -0.07 -0.70 1.20 0.00 0.41 0.00 0.00 41.25 42.09 2jon s ASN 72 CO 0.84 -0.11 1.95 0.77 -1.51 0.00 0.00 177.10 179.05 2jon h SER 73 N 1.85 0.00 -0.00 -1.22 4.64 -1.93 -1.82 113.55 115.06 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 0.62 0.18 0.00 -2.67 -0.87 0.00 0.00 176.83 174.09 2jon n TRP 74 N -3.52 0.00 0.25 4.77 2.14 -1.26 -3.21 117.44 116.61 2jon n TRP 74 Ca -0.01 -0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.69 2jon n TRP 74 Cb 0.33 0.00 0.31 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 0.01 0.00 -2.74 -0.67 -0.00 -1.64 -3.41 115.58 107.13 2jon h ASN 75 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.72 2jon h ASN 75 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 38.32 38.22 2jon h ASN 75 CO 0.00 0.00 0.80 0.00 -0.00 0.00 0.00 177.43 178.23 2jon n ASP 77 N 8.39 1.95 0.00 0.00 9.92 -1.26 -4.80 116.55 130.74 2jon n ASP 77 Ca 0.02 -1.78 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 2jon n ASP 77 Cb 0.48 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 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 -0.18 0.00 -3.91 1.24 3.01 -1.26 -5.01 117.46 111.35 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 0.23 -0.45 0.01 0.00 -0.01 0.00 0.00 39.48 39.27 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 -2.04 -0.01 0.00 4.37 0.01 -1.26 -4.51 113.70 110.27 2jon s SER 79 Ca 0.00 -0.34 0.09 0.00 1.31 0.00 0.00 55.95 57.00 2jon s SER 79 Cb 0.00 0.26 0.49 0.00 0.21 0.00 0.00 66.02 66.98 2jon s SER 79 CO 0.00 -0.52 1.03 1.67 0.41 0.00 0.00 173.24 175.83 2jon n GLN 80 N -0.78 0.22 -0.12 12.44 7.27 -1.26 -2.46 117.38 132.69 2jon n GLN 80 Ca -0.00 0.07 -0.26 0.00 0.07 0.00 0.00 57.00 56.88 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.64 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 1.54 0.89 1.69 -2.24 -1.26 -4.33 114.28 109.46 2jon n THR 81 Ca 0.06 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 2jon n THR 81 Cb 0.04 -1.81 0.01 0.00 -2.10 0.00 0.00 70.33 66.48 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 -3.86 2.63 -2.17 6.98 0.00 -1.03 -1.72 120.51 121.34 2jon n ALA 82 Ca -0.48 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 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 0.28 0.00 -2.07 0.00 5.66 -1.20 -3.28 114.28 113.67 2jon n THR 83 Ca 0.03 -1.05 -0.42 0.00 -3.05 0.00 0.00 64.05 59.56 2jon n THR 83 Cb 0.47 -1.27 -0.03 0.00 -1.55 0.00 0.00 70.33 67.95 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 4.37 0.41 1.09 1.43 -1.26 -1.61 118.68 123.11 2jon s LEU 84 Ca 0.57 2.46 0.08 0.00 -1.03 0.00 0.00 54.13 56.20 2jon s LEU 84 Cb -0.02 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2jon s LEU 84 CO 0.39 -0.72 0.39 0.28 0.23 0.00 0.00 176.35 176.92 2jon s THR 85 N 1.01 2.78 0.00 5.49 -1.32 0.12 -4.89 115.64 118.83 2jon s THR 85 Ca 0.66 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 2jon s THR 85 Cb -0.40 -3.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 2jon s THR 85 CO 0.32 -0.02 0.00 0.59 -2.21 0.00 0.00 174.62 173.30 2jon n ASN 86 N -1.57 -1.22 -4.01 8.08 4.13 -1.26 -3.75 115.26 115.66 2jon n ASN 86 Ca 0.04 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.99 2jon n ASN 86 Cb 0.61 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.93 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2jon n THR 87 N -2.52 0.00 -1.48 3.41 5.66 -1.26 -4.47 114.28 113.61 2jon n THR 87 Ca 0.00 -0.09 -0.46 0.00 -3.05 0.00 0.00 64.05 60.45 2jon n THR 87 Cb 0.00 -0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 68.48 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 1.38 2.03 0.00 1.09 4.05 -1.26 -4.77 115.26 117.77 2jon n ASN 88 Ca -0.00 0.18 0.07 0.00 0.45 0.00 0.00 54.58 55.28 2jon n ASN 88 Cb 0.59 -1.31 0.40 0.00 1.23 0.00 0.00 39.78 40.70 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 8.45 0.31 -1.50 1.20 -0.04 -1.26 -4.77 135.00 137.38 2jon n PRO 89 Ca 0.43 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.55 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 -1.18 1.84 0.07 3.54 2.88 -1.26 -4.76 113.62 114.75 2jon n SER 90 Ca 0.09 0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.78 2jon n SER 90 Cb 0.09 -1.31 0.02 0.00 -0.75 0.00 0.00 64.21 62.27 2jon n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jon n TYR 91 N 12.14 0.66 0.00 0.66 4.11 -1.26 -5.02 117.16 128.45 2jon n TYR 91 Ca 0.45 0.19 0.00 0.00 -0.00 0.00 0.00 57.90 58.54 2jon n TYR 91 Cb 0.30 -0.75 0.00 0.00 -0.00 0.00 0.00 39.34 38.89 2jon n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2jon n GLY 92 N 1.26 0.47 0.21 -7.48 0.00 -1.26 -4.98 105.19 93.41 2jon n GLY 92 Ca 0.01 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.58 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 2.00 1.19 -1.48 4.61 0.00 -1.95 -3.40 119.26 120.22 2jon h ALA 93 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 2jon h ALA 93 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2jon h ALA 93 CO 0.00 0.37 1.15 0.00 0.00 0.00 0.00 179.25 180.77 2jon s ASN 95 N 5.04 6.18 0.04 0.00 3.84 -1.26 -4.03 114.94 124.75 2jon s ASN 95 Ca 0.49 0.20 -0.15 0.00 0.21 0.00 0.00 52.86 53.61 2jon s ASN 95 Cb -0.10 -2.10 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 2jon s ASN 95 CO 0.20 0.13 0.45 -0.36 -2.79 0.00 0.00 177.10 174.73 2jon s PHE 96 N 0.66 3.71 0.17 0.43 0.40 -1.26 -5.00 117.98 117.09 2jon s PHE 96 Ca 0.08 1.02 -0.30 0.00 -0.60 0.00 0.00 56.93 57.13 2jon s PHE 96 Cb -0.12 -2.31 -0.08 0.00 0.51 0.00 0.00 43.02 41.01 2jon s PHE 96 CO 0.01 0.60 1.32 -1.25 0.70 0.00 0.00 175.22 176.60 2jon s PRO 97 N -1.28 4.38 -0.01 0.24 0.04 -1.26 -4.93 135.00 132.18 2jon s PRO 97 Ca 0.27 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.51 2jon s PRO 97 Cb -0.17 -3.21 -0.19 0.00 0.04 0.00 0.00 34.50 30.97 2jon s PRO 97 CO 0.15 -0.29 0.50 -1.13 0.04 0.00 0.00 177.00 176.27 2jon n SER 98 N 2.97 1.06 -3.64 6.66 3.41 -1.26 -3.48 113.62 119.33 2jon n SER 98 Ca 0.07 -0.48 -0.29 0.00 -0.26 0.00 0.00 58.87 57.91 2jon n SER 98 Cb 0.43 1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 65.63 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 1.47 -0.32 3.30 5.00 0.00 -1.26 -4.63 105.19 108.75 2jon n GLY 99 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.60 -0.28 0.00 1.61 1.04 -1.26 -4.66 113.70 107.56 2jon s SER 100 Ca 0.57 0.19 0.25 0.00 0.48 0.00 0.00 55.95 57.44 2jon s SER 100 Cb -0.33 0.36 0.50 0.00 0.10 0.00 0.00 66.02 66.65 2jon s SER 100 CO 0.70 -0.50 1.43 0.59 0.98 0.00 0.00 173.24 176.45