#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 4.27 0.46 0.00 -4.23 -1.26 -5.10 115.64 109.77 2jon s THR 2 Ca 0.00 -0.47 -0.23 0.00 -1.18 0.00 0.00 61.69 59.81 2jon s THR 2 Cb 0.00 -2.87 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 2jon s THR 2 CO 0.00 0.45 1.16 -2.16 -0.54 0.00 0.00 174.62 173.53 2jon s PRO 3 N -1.36 3.76 -0.25 3.99 0.04 -1.26 -5.04 135.00 134.88 2jon s PRO 3 Ca 0.18 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2jon s PRO 3 Cb -0.11 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.07 2jon s PRO 3 CO 0.08 -0.55 -0.11 0.95 0.04 0.00 0.00 177.00 177.41 2jon s THR 4 N -1.54 2.23 1.12 1.26 -4.23 -1.26 -5.12 115.64 108.10 2jon s THR 4 Ca 0.63 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.47 2jon s THR 4 Cb -0.29 -2.26 0.25 0.00 1.34 0.00 0.00 72.50 71.55 2jon s THR 4 CO 0.35 0.05 1.10 -2.16 -0.54 0.00 0.00 174.62 173.41 2jon s PRO 5 N 1.14 -0.59 -0.27 3.99 0.04 -1.26 -5.02 135.00 133.03 2jon s PRO 5 Ca -0.07 0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.02 2jon s PRO 5 Cb -0.19 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2jon s PRO 5 CO -0.06 -3.34 0.22 0.95 0.04 0.00 0.00 177.00 174.81 2jon s THR 6 N -2.99 5.30 0.45 1.26 -4.23 -1.26 -5.09 115.64 109.09 2jon s THR 6 Ca 0.69 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 61.37 2jon s THR 6 Cb -0.14 -3.56 0.11 0.00 1.34 0.00 0.00 72.50 70.26 2jon s THR 6 CO 0.57 0.26 0.40 -0.81 -0.54 0.00 0.00 174.62 174.50 2jon n PRO 7 N 4.90 -1.81 -3.73 3.99 -0.04 -1.26 -5.06 135.00 132.00 2jon n PRO 7 Ca -0.13 -0.64 -0.29 0.00 -0.04 0.00 0.00 63.50 62.39 2jon n PRO 7 Cb 0.52 -0.60 -0.15 0.00 -0.04 0.00 0.00 33.50 33.22 2jon n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2jon s LYS 8 N -3.91 0.72 1.07 0.54 -2.85 -1.26 -5.13 119.74 108.91 2jon s LYS 8 Ca 0.26 -0.93 -0.12 0.00 -1.00 0.00 0.00 55.97 54.18 2jon s LYS 8 Cb -0.03 -1.99 0.23 0.00 -2.06 0.00 0.00 37.83 33.98 2jon s LYS 8 CO 0.20 -0.91 1.07 0.00 0.10 0.00 0.00 175.35 175.80 2jon s ALA 9 N 1.67 0.29 1.39 0.59 0.00 -1.26 -4.99 121.76 119.45 2jon s ALA 9 Ca 0.07 0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 2jon s ALA 9 Cb -0.17 -3.30 0.35 0.00 0.00 0.00 0.00 23.12 19.99 2jon s ALA 9 CO -0.22 -3.39 0.86 0.00 0.00 0.00 0.00 175.76 173.01 2jon n ALA 10 N -4.62 -4.48 -2.01 0.00 0.00 -1.26 -4.78 120.51 103.35 2jon n ALA 10 Ca 0.06 -1.74 -0.02 0.00 0.00 0.00 0.00 53.44 51.74 2jon n ALA 10 Cb 0.54 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 2jon n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jon n GLY 11 N 1.75 -4.63 3.55 0.00 0.00 -1.26 -4.92 105.19 99.68 2jon n GLY 11 Ca 0.10 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.40 -0.91 -0.15 1.61 0.01 -1.26 -4.57 113.70 108.03 2jon s SER 12 Ca -0.09 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 2jon s SER 12 Cb 0.01 1.88 0.04 0.00 0.21 0.00 0.00 66.02 68.16 2jon s SER 12 CO 0.23 -0.22 -0.05 0.26 0.41 0.00 0.00 173.24 173.86 2jon s TRP 13 N 2.55 1.56 -0.60 2.43 0.51 -1.24 -4.64 118.94 119.52 2jon s TRP 13 Ca -0.06 -0.94 -0.21 0.00 -2.12 0.00 0.00 56.10 52.77 2jon s TRP 13 Cb -0.11 -1.26 0.07 0.00 -0.81 0.00 0.00 33.47 31.37 2jon s TRP 13 CO -0.18 -0.57 0.85 0.00 -0.51 0.00 0.00 176.95 176.54 2jon s VAL 15 N 3.51 0.05 0.06 0.00 -7.23 -0.32 -4.76 120.40 111.71 2jon s VAL 15 Ca 0.20 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.66 2jon s VAL 15 Cb -0.18 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 2jon s VAL 15 CO 0.11 -0.22 1.40 -2.16 -0.31 0.00 0.00 175.10 173.92 2jon s PRO 16 N -1.93 4.30 -0.20 4.82 0.04 -1.26 -3.08 135.00 137.69 2jon s PRO 16 Ca -0.09 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 62.62 2jon s PRO 16 Cb -0.02 -3.42 -0.13 0.00 0.04 0.00 0.00 34.50 30.97 2jon s PRO 16 CO 0.01 -0.50 1.90 1.63 0.04 0.00 0.00 177.00 180.08 2jon n LYS 17 N 4.66 1.64 -2.04 4.56 4.01 -1.19 -4.83 118.16 124.97 2jon n LYS 17 Ca 0.12 0.58 -0.29 0.00 -0.51 0.00 0.00 58.31 58.21 2jon n LYS 17 Cb 0.43 -2.44 -0.05 0.00 -0.51 0.00 0.00 35.03 32.46 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 4.33 2.57 0.00 1.97 0.04 -1.26 -2.88 135.00 139.77 2jon s PRO 18 Ca 0.98 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2jon s PRO 18 Cb -0.84 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 28.78 2jon s PRO 18 CO 0.56 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.76 2jon n GLY 19 N 6.61 0.50 3.45 0.56 0.00 -1.26 -5.15 105.19 109.90 2jon n GLY 19 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.54 1.61 0.31 -1.14 -4.78 118.33 112.79 2jon n VAL 20 Ca 0.00 -0.42 -0.48 0.00 -0.01 0.00 0.00 64.34 63.43 2jon n VAL 20 Cb 0.00 -0.95 -0.05 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 -4.57 2.73 -0.37 4.52 7.64 -1.26 -4.83 113.62 117.47 2jon n SER 21 Ca 0.03 0.45 -0.03 0.00 1.01 0.00 0.00 58.87 60.33 2jon n SER 21 Cb 0.55 -1.37 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 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 9.83 -0.71 -0.19 6.43 8.00 -1.26 0.21 116.55 138.86 2jon n ASP 22 Ca 0.34 1.66 0.18 0.00 0.71 0.00 0.00 54.79 57.68 2jon n ASP 22 Cb 0.31 -0.34 0.53 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.35 -0.17 -2.24 1.82 -1.99 0.32 116.42 114.51 2jon h ASP 23 Ca 0.29 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.91 2jon h ASP 23 Cb 0.52 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.49 2jon h ASP 23 CO -0.93 0.16 -0.08 -0.61 -1.61 0.00 0.00 179.24 176.17 2jon h GLN 24 N 0.36 0.35 0.21 0.28 5.75 0.20 -2.95 115.11 119.31 2jon h GLN 24 Ca 0.41 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 2jon h GLN 24 Cb 1.04 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.58 2jon h GLN 24 CO -0.13 0.66 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.55 2jon h LEU 25 N 0.03 -0.24 -0.95 -2.39 -0.00 0.03 -3.26 115.31 108.54 2jon h LEU 25 Ca 0.04 -0.29 0.22 0.00 -0.00 0.00 0.00 57.88 57.85 2jon h LEU 25 Cb 0.56 0.06 -0.18 0.00 -0.00 0.00 0.00 40.66 41.10 2jon h LEU 25 CO 0.02 0.23 -0.11 0.74 -0.00 0.00 0.00 178.44 179.33 2jon h THR 26 N -0.78 0.06 -1.11 0.22 2.02 -0.53 0.30 112.91 113.09 2jon h THR 26 Ca -0.03 -0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.52 2jon h THR 26 Cb 0.51 0.05 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2jon h THR 26 CO 0.05 0.00 0.73 0.61 0.37 0.00 0.00 175.52 177.28 2jon n GLY 27 N -1.54 -0.65 0.30 2.16 0.00 -1.11 -0.18 105.19 104.15 2jon n GLY 27 Ca 0.18 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.65 2jon n GLY 27 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jon h ASN 28 N 0.00 -0.66 -0.83 1.61 2.35 -0.60 -2.76 115.58 114.70 2jon h ASN 28 Ca 0.67 0.03 0.31 0.00 -0.55 0.00 0.00 56.30 56.76 2jon h ASN 28 Cb 2.25 0.18 -0.15 0.00 0.05 0.00 0.00 38.32 40.65 2jon h ASN 28 CO -0.30 -0.45 0.32 -0.38 -1.65 0.00 0.00 177.43 174.97 2jon n ILE 29 N -4.04 -0.35 -0.13 2.81 5.41 0.74 0.20 119.36 124.00 2jon n ILE 29 Ca -0.09 1.73 -0.08 0.00 1.00 0.00 0.00 62.75 65.30 2jon n ILE 29 Cb 0.29 -2.71 -0.00 0.00 -0.71 0.00 0.00 39.64 36.51 2jon n ILE 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2jon h ASN 30 N 0.00 0.50 0.27 4.38 2.35 -1.46 0.13 115.58 121.75 2jon h ASN 30 Ca 0.64 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.29 2jon h ASN 30 Cb 1.62 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.86 2jon h ASN 30 CO -0.68 0.45 -0.13 0.22 -1.65 0.00 0.00 177.43 175.63 2jon h TYR 31 N 0.52 -0.34 -0.59 1.19 3.20 0.25 -3.32 116.97 117.87 2jon h TYR 31 Ca 0.14 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.12 2jon h TYR 31 Cb 0.06 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.33 2jon h TYR 31 CO -0.02 -0.09 -0.15 0.00 -1.64 0.00 0.00 178.16 176.25 2jon h ALA 32 N -0.87 0.39 -0.33 1.82 0.00 -0.60 0.48 119.26 120.15 2jon h ALA 32 Ca -0.04 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2jon h ALA 32 Cb 0.40 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jon h ALA 32 CO 0.06 -0.43 0.73 0.00 0.00 0.00 0.00 179.25 179.61 2jon n SER 34 N -3.06 0.44 -0.12 0.00 2.88 0.17 -3.50 113.62 110.44 2jon n SER 34 Ca 0.06 -2.01 -0.24 0.00 -1.33 0.00 0.00 58.87 55.35 2jon n SER 34 Cb 0.86 -0.18 -0.11 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.29 0.62 0.00 -1.46 0.00 0.41 -5.05 117.38 111.61 2jon n GLN 35 Ca 0.01 0.26 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 2jon n GLN 35 Cb 0.10 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 28.79 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 1.67 3.96 0.97 1.69 0.00 -1.23 -4.89 105.19 107.37 2jon n GLY 36 Ca -0.47 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 0.23 0.00 -0.61 -0.00 -1.26 -4.59 119.36 113.13 2jon n ILE 37 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 62.75 62.14 2jon n ILE 37 Cb 0.00 1.24 0.00 0.00 -0.00 0.00 0.00 39.64 40.88 2jon n ILE 37 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2jon n ASP 38 N 1.31 0.00 -4.71 7.28 8.00 -1.26 -4.50 116.55 122.67 2jon n ASP 38 Ca 0.15 0.62 -0.42 0.00 0.71 0.00 0.00 54.79 55.85 2jon n ASP 38 Cb 0.56 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2jon n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jon n GLY 40 N 2.92 2.30 0.00 0.00 0.00 -1.26 -4.85 105.19 104.31 2jon n GLY 40 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.08 1.61 -0.04 -1.26 -3.27 135.00 132.44 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 -1.15 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.65 0.24 -2.28 0.52 -5.35 -1.26 -4.85 119.36 105.73 2jon n ILE 42 Ca 0.04 -0.14 -0.43 0.00 -0.27 0.00 0.00 62.75 61.95 2jon n ILE 42 Cb 0.02 -0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 37.57 2jon n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jon s GLN 43 N -1.40 4.24 0.00 6.28 -0.21 -1.20 -4.89 119.66 122.49 2jon s GLN 43 Ca 0.06 1.86 0.00 0.00 0.02 0.00 0.00 55.36 57.29 2jon s GLN 43 Cb 0.04 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.30 2jon s GLN 43 CO 0.02 -0.68 0.00 -0.35 -2.12 0.00 0.00 175.29 172.16 2jon n PRO 44 N 6.32 -0.91 0.00 2.91 -0.04 -1.26 -5.04 135.00 136.97 2jon n PRO 44 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2jon n PRO 44 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2jon n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jon n GLY 45 N 2.45 0.00 0.00 0.55 0.00 -1.26 -5.05 105.19 101.88 2jon n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.19 1.40 0.09 -0.02 0.00 -1.26 -5.00 105.19 101.59 2jon n GLY 46 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.07 4.61 0.00 -1.97 -3.35 119.26 117.59 2jon h ALA 47 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jon h ALA 47 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jon h ALA 47 CO 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.36 2jon h PHE 49 N 0.44 -1.56 -3.12 0.00 3.57 -1.95 -3.41 116.94 110.91 2jon h PHE 49 Ca 0.00 0.06 -0.59 0.00 3.53 0.00 0.00 57.97 60.97 2jon h PHE 49 Cb 0.76 0.71 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 2jon h PHE 49 CO 0.08 -0.51 -0.18 -1.21 -2.23 0.00 0.00 178.31 174.26 2jon s GLU 50 N -5.55 3.91 0.47 1.11 2.02 -1.26 -3.01 118.70 116.39 2jon s GLU 50 Ca -0.14 0.39 -0.22 0.00 0.02 0.00 0.00 54.97 55.01 2jon s GLU 50 Cb 0.07 -3.10 -0.07 0.00 0.10 0.00 0.00 34.13 31.13 2jon s GLU 50 CO 0.58 0.61 1.16 -1.25 0.02 0.00 0.00 175.26 176.38 2jon s PRO 51 N -1.49 3.71 -0.08 0.39 0.04 -1.26 -5.07 135.00 131.24 2jon s PRO 51 Ca 0.30 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2jon s PRO 51 Cb -0.16 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2jon s PRO 51 CO 0.16 -0.59 0.16 1.21 0.04 0.00 0.00 177.00 177.98 2jon s ASN 52 N -1.41 6.39 0.28 6.66 3.84 -1.16 -5.11 114.94 124.43 2jon s ASN 52 Ca 0.65 0.43 0.03 0.00 0.21 0.00 0.00 52.86 54.18 2jon s ASN 52 Cb -0.28 -2.05 -0.03 0.00 -0.55 0.00 0.00 41.25 38.34 2jon s ASN 52 CO 0.34 0.36 0.43 0.42 -2.79 0.00 0.00 177.10 175.85 2jon s THR 53 N -1.14 5.19 0.02 -5.21 -4.23 -1.26 -5.03 115.64 103.97 2jon s THR 53 Ca 0.20 -0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 59.65 2jon s THR 53 Cb -0.12 -3.86 -0.16 0.00 1.34 0.00 0.00 72.50 69.70 2jon s THR 53 CO 0.09 -0.42 1.23 0.58 -0.54 0.00 0.00 174.62 175.57 2jon h VAL 54 N 1.01 0.44 -0.01 2.29 2.07 -1.99 -2.87 116.25 117.18 2jon h VAL 54 Ca -0.51 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2jon h VAL 54 Cb 1.23 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2jon h VAL 54 CO 0.61 0.06 0.00 2.29 0.02 0.00 0.00 177.57 180.55 2jon n LYS 55 N -5.25 1.08 -0.06 1.57 0.00 -1.26 -4.27 118.16 109.97 2jon n LYS 55 Ca -0.11 -0.07 -0.10 0.00 -0.00 0.00 0.00 58.31 58.03 2jon n LYS 55 Cb 0.30 -1.42 -0.03 0.00 -0.00 0.00 0.00 35.03 33.88 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 2.25 -0.34 -0.76 0.58 0.00 -1.91 -1.72 119.26 117.36 2jon h ALA 56 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 2jon h ALA 56 Cb 0.43 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2jon h ALA 56 CO 0.01 -0.80 -0.23 1.58 0.00 0.00 0.00 179.25 179.82 2jon n HIS 57 N -5.42 0.19 -0.21 0.00 -0.00 -1.26 0.19 115.22 108.72 2jon n HIS 57 Ca -0.01 0.93 -0.08 0.00 -0.00 0.00 0.00 57.72 58.56 2jon n HIS 57 Cb 0.34 -0.89 0.03 0.00 -0.00 0.00 0.00 29.99 29.46 2jon n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jon h ALA 58 N 1.37 0.78 -0.07 1.57 0.00 -1.67 -2.65 119.26 118.59 2jon h ALA 58 Ca 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jon h ALA 58 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jon h ALA 58 CO -0.78 0.44 0.02 0.00 0.00 0.00 0.00 179.25 178.94 2jon h ALA 59 N 1.06 0.08 0.29 0.00 0.00 0.25 0.98 119.26 121.91 2jon h ALA 59 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jon h ALA 59 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2jon h ALA 59 CO -0.01 -0.45 -0.34 -0.92 0.00 0.00 0.00 179.25 177.54 2jon h TYR 60 N 0.06 -0.96 -0.79 0.00 5.03 -0.62 -2.32 116.97 117.37 2jon h TYR 60 Ca 0.03 0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.48 2jon h TYR 60 Cb 0.01 0.38 -0.06 0.00 1.55 0.00 0.00 36.73 38.62 2jon h TYR 60 CO -0.09 -0.44 0.52 -0.24 -1.32 0.00 0.00 178.16 176.59 2jon h VAL 61 N -0.64 0.85 -0.24 1.81 3.04 -1.47 -0.77 116.25 118.84 2jon h VAL 61 Ca -0.04 -0.20 0.07 0.00 -1.01 0.00 0.00 66.70 65.53 2jon h VAL 61 Cb 0.57 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2jon h VAL 61 CO -0.07 0.10 0.81 0.24 -1.01 0.00 0.00 177.57 177.64 2jon h MET 62 N 0.57 0.00 -0.12 4.17 2.86 -0.20 0.84 114.93 123.05 2jon h MET 62 Ca 0.38 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.90 2jon h MET 62 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2jon h MET 62 CO -0.15 0.00 -0.39 -0.97 1.06 0.00 0.00 176.91 176.46 2jon h ASN 63 N 0.00 0.56 0.01 1.22 -1.24 -1.18 -3.00 115.58 111.96 2jon h ASN 63 Ca 0.11 -0.61 -0.26 0.00 0.71 0.00 0.00 56.30 56.25 2jon h ASN 63 Cb 1.72 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 40.57 2jon h ASN 63 CO -0.00 1.07 -1.43 0.00 -1.29 0.00 0.00 177.43 175.77 2jon n LEU 64 N -4.32 1.94 -0.27 0.34 -0.00 0.25 -4.11 117.00 110.84 2jon n LEU 64 Ca -0.07 0.39 0.07 0.00 -0.00 0.00 0.00 56.01 56.40 2jon n LEU 64 Cb 0.54 -0.97 0.20 0.00 -0.00 0.00 0.00 43.42 43.19 2jon n LEU 64 CO 0.44 0.35 0.89 0.22 -0.00 0.00 0.00 177.39 179.29 2jon h TYR 65 N -0.90 0.15 -0.34 1.47 5.03 -0.43 0.81 116.97 122.76 2jon h TYR 65 Ca -0.39 0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.06 2jon h TYR 65 Cb 1.40 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.72 2jon h TYR 65 CO 0.08 -0.19 0.24 -0.92 -1.32 0.00 0.00 178.16 176.05 2jon h TYR 66 N 0.18 0.09 -0.01 -3.82 5.03 -1.70 0.12 116.97 116.85 2jon h TYR 66 Ca 0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.76 2jon h TYR 66 Cb 0.82 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.07 2jon h TYR 66 CO -0.33 0.04 -0.44 1.04 -1.32 0.00 0.00 178.16 177.15 2jon n GLN 67 N -4.46 1.04 -0.01 1.82 6.02 0.23 -1.16 117.38 120.87 2jon n GLN 67 Ca 0.05 -0.81 -0.18 0.00 -0.01 0.00 0.00 57.00 56.05 2jon n GLN 67 Cb 0.36 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 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 1.97 0.98 0.18 1.08 -0.00 0.26 -3.35 115.15 116.27 2jon h HIS 68 Ca 0.00 -0.45 -0.01 0.00 -0.00 0.00 0.00 60.37 59.91 2jon h HIS 68 Cb 0.68 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 2jon h HIS 68 CO 0.00 1.27 -0.09 0.00 -0.00 0.00 0.00 177.93 179.11 2jon h ALA 69 N 0.50 -0.25 0.00 5.26 0.00 -1.71 -3.46 119.26 119.61 2jon h ALA 69 Ca -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jon h ALA 69 Cb 1.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2jon h ALA 69 CO 0.15 -0.23 -0.02 0.41 0.00 0.00 0.00 179.25 179.56 2jon n GLY 70 N 1.15 0.39 2.75 0.00 0.00 -1.26 -4.98 105.19 103.24 2jon n GLY 70 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 -3.65 1.61 1.74 -0.31 -4.95 116.66 108.33 2jon n ARG 71 Ca -0.02 0.59 -0.21 0.00 -0.77 0.00 0.00 57.85 57.44 2jon n ARG 71 Cb 0.26 -5.24 -0.03 0.00 -1.02 0.00 0.00 32.46 26.44 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 -2.28 5.28 0.51 0.55 0.01 -1.23 -4.93 114.94 112.84 2jon s ASN 72 Ca 0.14 -0.55 0.29 0.00 -0.71 0.00 0.00 52.86 52.03 2jon s ASN 72 Cb -0.07 -0.83 1.28 0.00 0.41 0.00 0.00 41.25 42.04 2jon s ASN 72 CO 0.17 -0.49 1.97 0.77 -1.51 0.00 0.00 177.10 178.01 2jon h SER 73 N 1.10 0.00 -0.01 -1.22 4.64 -1.92 -1.99 113.55 114.16 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 0.57 0.12 0.00 -2.67 -0.87 0.00 0.00 176.83 173.98 2jon n TRP 74 N -3.35 0.01 0.39 4.77 2.14 -1.26 -3.37 117.44 116.77 2jon n TRP 74 Ca -0.00 -0.01 0.14 0.00 2.07 0.00 0.00 57.50 59.70 2jon n TRP 74 Cb 0.32 0.00 0.49 0.00 -0.81 0.00 0.00 31.31 31.31 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 0.19 0.00 -2.71 -0.67 -1.24 -1.66 -3.41 115.58 106.08 2jon h ASN 75 Ca 0.00 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.44 2jon h ASN 75 Cb 0.04 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.99 2jon h ASN 75 CO 0.00 0.00 0.85 0.00 -1.29 0.00 0.00 177.43 176.99 2jon n ASP 77 N 8.53 2.08 0.04 0.00 8.00 -1.26 -4.80 116.55 129.14 2jon n ASP 77 Ca 0.02 -1.89 -0.02 0.00 0.71 0.00 0.00 54.79 53.62 2jon n ASP 77 Cb 0.48 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 2jon n ASP 77 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2jon h PHE 78 N 0.45 -0.12 -2.28 1.24 -1.00 -1.86 -3.49 116.94 109.88 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 0.49 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.04 2jon h PHE 78 CO 0.04 -0.07 0.72 -1.54 -1.61 0.00 0.00 178.31 175.86 2jon s SER 79 N -2.23 -0.01 0.00 2.17 1.04 -1.26 -4.75 113.70 108.66 2jon s SER 79 Ca -0.02 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.06 2jon s SER 79 Cb 0.00 0.34 0.45 0.00 0.10 0.00 0.00 66.02 66.91 2jon s SER 79 CO 0.05 -0.66 1.03 0.00 0.98 0.00 0.00 173.24 174.64 2jon n GLN 80 N -0.75 0.19 -0.11 4.02 6.02 -1.26 -2.56 117.38 122.94 2jon n GLN 80 Ca -0.01 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 2jon n GLN 80 Cb 0.59 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.26 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jon n THR 81 N -1.13 1.52 -2.71 5.09 -2.24 -1.26 -4.78 114.28 108.78 2jon n THR 81 Ca 0.05 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jon n THR 81 Cb 0.04 -2.07 -0.03 0.00 -2.10 0.00 0.00 70.33 66.17 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 -2.44 2.98 0.34 6.98 0.00 -1.06 -3.17 121.76 125.38 2jon s ALA 82 Ca -0.29 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.23 2jon s ALA 82 Cb 0.07 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.19 2jon s ALA 82 CO 0.53 -2.86 0.47 -0.08 0.00 0.00 0.00 175.76 173.81 2jon s THR 83 N 4.76 0.00 0.09 0.00 -1.32 -1.18 -4.44 115.64 113.55 2jon s THR 83 Ca 0.31 -1.60 -0.31 0.00 -1.21 0.00 0.00 61.69 58.88 2jon s THR 83 Cb -0.12 -2.62 -0.08 0.00 -1.51 0.00 0.00 72.50 68.17 2jon s THR 83 CO 0.16 0.00 1.53 -0.76 -2.21 0.00 0.00 174.62 173.34 2jon s LEU 84 N -3.23 4.36 0.40 9.08 1.02 -1.26 -1.17 118.68 127.88 2jon s LEU 84 Ca 0.30 2.42 0.08 0.00 0.02 0.00 0.00 54.13 56.95 2jon s LEU 84 Cb -0.00 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.61 2jon s LEU 84 CO 0.20 -0.79 0.38 0.28 0.02 0.00 0.00 176.35 176.43 2jon s THR 85 N 1.93 2.87 0.00 5.49 -1.32 0.16 -4.90 115.64 119.87 2jon s THR 85 Ca 0.69 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2jon s THR 85 Cb -0.39 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2jon s THR 85 CO 0.31 -0.04 0.00 0.59 -2.21 0.00 0.00 174.62 173.27 2jon n ASN 86 N -1.54 -1.20 -3.90 8.08 4.13 -1.26 -3.69 115.26 115.88 2jon n ASN 86 Ca 0.03 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.05 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 -2.44 0.00 -1.48 3.41 5.66 -1.26 -4.42 114.28 113.75 2jon n THR 87 Ca 0.00 -0.07 -0.47 0.00 -3.05 0.00 0.00 64.05 60.46 2jon n THR 87 Cb 0.00 -0.25 -0.07 0.00 -1.55 0.00 0.00 70.33 68.46 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 1.07 2.05 0.00 1.09 4.05 -1.26 -4.77 115.26 117.49 2jon n ASN 88 Ca 0.01 0.21 0.07 0.00 0.45 0.00 0.00 54.58 55.32 2jon n ASN 88 Cb 0.46 -1.30 0.42 0.00 1.23 0.00 0.00 39.78 40.59 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 8.42 0.49 -1.47 1.20 -0.04 -1.26 -4.80 135.00 137.54 2jon n PRO 89 Ca 0.42 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.40 2jon n PRO 89 Cb 0.28 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 2jon n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jon n SER 90 N -0.96 2.17 0.17 3.54 2.88 -1.26 -4.78 113.62 115.38 2jon n SER 90 Ca 0.11 0.30 0.14 0.00 -1.33 0.00 0.00 58.87 58.09 2jon n SER 90 Cb 0.05 -1.30 0.51 0.00 -0.75 0.00 0.00 64.21 62.72 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 13.22 0.00 0.00 0.66 -0.00 -1.87 -3.48 116.97 125.50 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 0.28 -0.92 0.25 0.10 0.00 -1.26 -4.97 105.19 98.67 2jon n GLY 92 Ca 0.02 0.61 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 1.03 -1.54 4.61 0.00 -2.02 -3.39 119.26 117.95 2jon h ALA 93 Ca 0.00 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 2jon h ALA 93 Cb 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 2jon h ALA 93 CO 0.00 0.58 0.85 0.00 0.00 0.00 0.00 179.25 180.68 2jon s ASN 95 N 3.44 6.40 0.33 0.00 4.22 -1.26 -3.70 114.94 124.37 2jon s ASN 95 Ca 0.33 0.37 -0.07 0.00 -2.14 0.00 0.00 52.86 51.36 2jon s ASN 95 Cb -0.11 -2.00 -0.05 0.00 1.28 0.00 0.00 41.25 40.36 2jon s ASN 95 CO 0.16 0.15 0.62 -0.36 -2.04 0.00 0.00 177.10 175.64 2jon s PHE 96 N -1.52 3.48 -0.23 1.54 0.40 -1.26 -4.98 117.98 115.40 2jon s PHE 96 Ca 0.36 0.76 -0.29 0.00 -0.60 0.00 0.00 56.93 57.16 2jon s PHE 96 Cb -0.13 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 2jon s PHE 96 CO 0.26 0.08 1.62 -1.25 0.70 0.00 0.00 175.22 176.62 2jon s PRO 97 N -3.67 3.78 0.00 0.24 0.04 -1.26 -4.87 135.00 129.26 2jon s PRO 97 Ca 0.46 1.64 0.25 0.00 0.04 0.00 0.00 61.00 63.38 2jon s PRO 97 Cb -0.11 -4.04 0.42 0.00 0.04 0.00 0.00 34.50 30.82 2jon s PRO 97 CO 0.31 -1.32 1.35 -1.13 0.04 0.00 0.00 177.00 176.25 2jon n SER 98 N 8.51 0.59 -1.43 6.66 3.41 -1.26 -4.24 113.62 125.86 2jon n SER 98 Ca 0.19 -0.37 -0.19 0.00 -0.26 0.00 0.00 58.87 58.24 2jon n SER 98 Cb 0.45 0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 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 1.49 1.80 3.09 5.00 0.00 -1.26 -4.77 105.19 110.54 2jon n GLY 99 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2jon n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jon s SER 100 N -2.73 -1.04 0.00 1.61 0.15 -1.26 -4.79 113.70 105.64 2jon s SER 100 Ca 0.00 0.53 0.25 0.00 0.70 0.00 0.00 55.95 57.43 2jon s SER 100 Cb 0.00 1.89 0.44 0.00 -1.71 0.00 0.00 66.02 66.64 2jon s SER 100 CO 0.00 -0.28 1.40 -0.46 1.20 0.00 0.00 173.24 175.10