#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 2.46 0.03 0.00 -4.23 -1.26 -5.05 115.64 107.59 2jon s THR 2 Ca 0.00 -1.20 -0.22 0.00 -1.18 0.00 0.00 61.69 59.09 2jon s THR 2 Cb 0.00 -1.97 -0.16 0.00 1.34 0.00 0.00 72.50 71.71 2jon s THR 2 CO 0.00 0.41 1.33 1.55 -0.54 0.00 0.00 174.62 177.37 2jon h PRO 3 N 4.87 0.28 -5.94 3.99 0.13 -2.13 -3.44 132.00 129.76 2jon h PRO 3 Ca -0.46 -0.15 -0.65 0.00 -0.87 0.00 0.00 66.00 63.87 2jon h PRO 3 Cb 1.14 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 2jon h PRO 3 CO 0.46 0.69 -0.55 0.95 -0.23 0.00 0.00 178.00 179.32 2jon s THR 4 N -4.29 4.91 0.69 1.56 -4.23 -1.26 -5.12 115.64 107.91 2jon s THR 4 Ca -0.14 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 2jon s THR 4 Cb 0.04 -3.25 0.17 0.00 1.34 0.00 0.00 72.50 70.81 2jon s THR 4 CO 0.74 0.37 0.61 -0.81 -0.54 0.00 0.00 174.62 174.99 2jon n PRO 5 N 1.20 -2.22 -3.15 3.99 -0.04 -1.26 -4.99 135.00 128.53 2jon n PRO 5 Ca -0.13 -0.98 -0.40 0.00 -0.04 0.00 0.00 63.50 61.94 2jon n PRO 5 Cb 0.53 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 2jon n PRO 5 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jon s THR 6 N -2.11 5.01 0.38 0.52 -4.23 -1.26 -5.07 115.64 108.89 2jon s THR 6 Ca 0.40 1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.86 2jon s THR 6 Cb -0.04 -3.90 0.10 0.00 1.34 0.00 0.00 72.50 69.99 2jon s THR 6 CO 0.31 0.03 0.34 -0.81 -0.54 0.00 0.00 174.62 173.95 2jon n PRO 7 N 5.67 -1.69 -3.75 3.99 -0.04 -1.26 -5.08 135.00 132.84 2jon n PRO 7 Ca -0.02 -0.54 -0.18 0.00 -0.04 0.00 0.00 63.50 62.72 2jon n PRO 7 Cb 0.49 -0.51 -0.17 0.00 -0.04 0.00 0.00 33.50 33.27 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 -3.77 0.05 0.15 0.54 -2.85 -1.26 -5.14 119.74 107.45 2jon s LYS 8 Ca 0.22 0.25 -0.23 0.00 -1.00 0.00 0.00 55.97 55.20 2jon s LYS 8 Cb -0.02 -0.45 0.07 0.00 -2.06 0.00 0.00 37.83 35.37 2jon s LYS 8 CO 0.17 -0.24 0.63 0.00 0.10 0.00 0.00 175.35 176.01 2jon s ALA 9 N 1.60 -1.61 1.17 0.59 0.00 -1.26 -5.17 121.76 117.08 2jon s ALA 9 Ca -0.02 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 2jon s ALA 9 Cb -0.13 0.85 0.28 0.00 0.00 0.00 0.00 23.12 24.12 2jon s ALA 9 CO -0.03 -0.77 1.01 0.00 0.00 0.00 0.00 175.76 175.97 2jon n ALA 10 N -0.37 -2.83 0.00 0.00 0.00 -1.26 -4.73 120.51 111.33 2jon n ALA 10 Ca -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2jon n ALA 10 Cb 0.65 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 0.99 1.34 3.49 0.00 0.00 -1.26 -5.14 105.19 104.61 2jon n GLY 11 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 -0.63 -0.20 1.61 0.01 -1.26 -4.71 113.70 106.52 2jon s SER 12 Ca 0.00 0.56 -0.08 0.00 1.31 0.00 0.00 55.95 57.74 2jon s SER 12 Cb 0.00 0.55 0.08 0.00 0.21 0.00 0.00 66.02 66.86 2jon s SER 12 CO 0.00 -0.68 0.44 0.26 0.41 0.00 0.00 173.24 173.67 2jon s TRP 13 N -1.72 -0.79 -0.41 2.43 0.51 -1.25 -4.43 118.94 113.28 2jon s TRP 13 Ca -0.09 1.54 -0.21 0.00 -2.12 0.00 0.00 56.10 55.22 2jon s TRP 13 Cb -0.00 0.34 0.02 0.00 -0.81 0.00 0.00 33.47 33.01 2jon s TRP 13 CO 0.05 -0.46 0.67 0.00 -0.51 0.00 0.00 176.95 176.71 2jon s VAL 15 N 2.88 0.00 0.02 0.00 -7.23 -0.97 -4.84 120.40 110.26 2jon s VAL 15 Ca 0.25 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 2jon s VAL 15 Cb -0.14 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.74 2jon s VAL 15 CO 0.18 0.00 1.43 -2.16 -0.31 0.00 0.00 175.10 174.25 2jon s PRO 16 N -2.44 4.27 -0.33 4.82 0.04 -1.17 -3.57 135.00 136.63 2jon s PRO 16 Ca -0.05 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 62.67 2jon s PRO 16 Cb -0.00 -3.55 -0.11 0.00 0.04 0.00 0.00 34.50 30.88 2jon s PRO 16 CO -0.01 -0.58 2.19 1.17 0.04 0.00 0.00 177.00 179.80 2jon n LYS 17 N 5.27 1.18 -2.04 4.56 0.00 -0.42 -4.84 118.16 121.87 2jon n LYS 17 Ca 0.13 0.32 -0.36 0.00 0.00 0.00 0.00 58.31 58.41 2jon n LYS 17 Cb 0.43 -2.54 -0.03 0.00 0.00 0.00 0.00 35.03 32.88 2jon n LYS 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jon s PRO 18 N 6.20 2.61 0.00 1.64 0.04 -1.26 -2.77 135.00 141.46 2jon s PRO 18 Ca 1.08 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2jon s PRO 18 Cb -0.80 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2jon s PRO 18 CO 0.48 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 175.04 2jon n GLY 19 N 5.98 2.66 3.22 0.56 0.00 -1.26 -5.14 105.19 111.22 2jon n GLY 19 Ca 0.25 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.64 1.61 3.14 -1.12 -4.82 118.33 115.50 2jon n VAL 20 Ca 0.00 -0.06 -0.49 0.00 -2.96 0.00 0.00 64.34 60.83 2jon n VAL 20 Cb 0.00 -0.95 -0.05 0.00 -1.06 0.00 0.00 33.84 31.78 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 -5.35 2.50 0.14 6.55 7.64 -1.26 -4.91 113.62 118.93 2jon n SER 21 Ca 0.12 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 61.03 2jon n SER 21 Cb 0.58 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 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 5.76 -0.37 -0.68 6.43 3.32 -1.98 -2.08 116.42 126.81 2jon h ASP 22 Ca -0.46 0.02 0.20 0.00 0.02 0.00 0.00 57.03 56.80 2jon h ASP 22 Cb 1.29 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 2jon h ASP 22 CO 0.85 -0.23 1.06 0.44 -1.72 0.00 0.00 179.24 179.64 2jon h ASP 23 N -0.37 0.00 -0.09 6.45 3.32 -1.98 0.75 116.42 124.50 2jon h ASP 23 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2jon h ASP 23 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2jon h ASP 23 CO 0.04 0.00 -0.03 -0.61 -1.72 0.00 0.00 179.24 176.92 2jon h GLN 24 N 0.00 0.17 0.31 3.56 5.75 -1.74 -2.97 115.11 120.19 2jon h GLN 24 Ca 0.32 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 2jon h GLN 24 Cb 2.44 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.99 2jon h GLN 24 CO -0.00 0.50 -0.15 -0.07 -2.65 0.00 0.00 178.83 176.46 2jon h LEU 25 N -0.17 -0.35 -0.86 -2.39 -0.00 0.59 -3.08 115.31 109.05 2jon h LEU 25 Ca 0.02 -0.17 0.04 0.00 -0.00 0.00 0.00 57.88 57.78 2jon h LEU 25 Cb 0.44 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2jon h LEU 25 CO 0.01 0.11 0.79 0.00 -0.00 0.00 0.00 178.44 179.35 2jon h THR 26 N -0.96 0.02 -0.34 0.22 1.03 -1.55 0.67 112.91 112.01 2jon h THR 26 Ca -0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.22 2jon h THR 26 Cb 0.50 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 67.82 2jon h THR 26 CO 0.07 0.00 -0.35 1.23 -0.01 0.00 0.00 175.52 176.46 2jon h GLY 27 N 0.00 0.84 0.60 2.99 0.00 -1.42 -3.23 103.07 102.84 2jon h GLY 27 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2jon h GLY 27 CO -0.00 0.73 -0.34 3.43 0.00 0.00 0.00 176.54 180.37 2jon h ASN 28 N 0.64 -0.93 -0.97 0.19 2.35 0.25 -2.16 115.58 114.96 2jon h ASN 28 Ca 0.06 0.09 0.27 0.00 -0.55 0.00 0.00 56.30 56.17 2jon h ASN 28 Cb 0.89 0.32 -0.14 0.00 0.05 0.00 0.00 38.32 39.44 2jon h ASN 28 CO 0.08 -0.47 0.50 0.40 -1.65 0.00 0.00 177.43 176.30 2jon h ILE 29 N -0.68 0.40 -0.33 2.81 2.04 -1.65 0.39 117.51 120.49 2jon h ILE 29 Ca -0.01 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.75 2jon h ILE 29 Cb 0.63 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2jon h ILE 29 CO -0.09 0.07 0.09 0.78 0.00 0.00 0.00 178.15 179.01 2jon h ASN 30 N 0.40 0.07 0.19 1.72 4.21 -1.41 0.44 115.58 121.19 2jon h ASN 30 Ca 0.66 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 58.20 2jon h ASN 30 Cb 1.37 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 2jon h ASN 30 CO -0.56 0.08 -0.09 0.22 -1.29 0.00 0.00 177.43 175.78 2jon h TYR 31 N 0.22 -0.23 -0.81 1.19 3.20 -0.48 -3.31 116.97 116.75 2jon h TYR 31 Ca 0.15 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.17 2jon h TYR 31 Cb 0.15 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.39 2jon h TYR 31 CO -0.16 0.13 0.36 0.00 -1.64 0.00 0.00 178.16 176.85 2jon h ALA 32 N -0.57 1.20 0.00 1.82 0.00 -0.37 0.40 119.26 121.74 2jon h ALA 32 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jon h ALA 32 Cb 0.46 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jon h ALA 32 CO 0.04 -0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.39 2jon n SER 34 N -2.23 3.78 -0.13 0.00 7.64 0.14 -4.18 113.62 118.65 2jon n SER 34 Ca -0.01 -2.40 -0.26 0.00 1.01 0.00 0.00 58.87 57.21 2jon n SER 34 Cb 0.31 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.89 2jon n SER 34 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jon n GLN 35 N 0.71 0.60 0.00 1.43 0.00 0.28 -5.07 117.38 115.33 2jon n GLN 35 Ca 0.19 0.29 0.00 0.00 -0.00 0.00 0.00 57.00 57.49 2jon n GLN 35 Cb 0.74 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.43 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 1.47 2.42 0.38 1.69 0.00 -1.26 -4.90 105.19 104.99 2jon n GLY 36 Ca -0.49 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 0.21 -0.03 -0.61 -5.35 -1.26 -4.03 119.36 108.28 2jon n ILE 37 Ca 0.00 -0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.33 2jon n ILE 37 Cb 0.00 -0.18 -0.01 0.00 -1.74 0.00 0.00 39.64 37.71 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 0.49 0.00 -3.08 7.28 3.32 -1.87 -3.42 116.42 119.13 2jon h ASP 38 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2jon h ASP 38 Cb 0.36 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2jon h ASP 38 CO 0.03 0.32 0.71 0.00 -1.72 0.00 0.00 179.24 178.58 2jon n GLY 40 N 3.36 2.36 0.00 0.00 0.00 -1.26 -4.81 105.19 104.84 2jon n GLY 40 Ca 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.21 1.61 -0.04 -1.26 -3.13 135.00 132.46 2jon n PRO 41 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2jon n PRO 41 Cb 0.00 -1.21 0.10 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 -0.71 0.64 -2.57 0.52 -5.35 -1.24 -4.83 119.36 105.81 2jon n ILE 42 Ca 0.05 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.77 2jon n ILE 42 Cb 0.02 -0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 37.55 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 -1.52 4.62 1.03 6.28 -1.52 -1.19 -4.63 119.66 122.74 2jon s GLN 43 Ca 0.14 1.65 -0.13 0.00 -1.95 0.00 0.00 55.36 55.07 2jon s GLN 43 Cb 0.10 -3.30 0.20 0.00 -0.22 0.00 0.00 33.01 29.79 2jon s GLN 43 CO 0.05 0.11 1.09 -1.25 -0.25 0.00 0.00 175.29 175.05 2jon s PRO 44 N -0.27 0.17 -0.04 2.91 0.04 -1.26 -5.03 135.00 131.53 2jon s PRO 44 Ca 0.49 0.43 0.01 0.00 0.04 0.00 0.00 61.00 61.96 2jon s PRO 44 Cb -0.28 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2jon s PRO 44 CO 0.33 -2.89 -0.03 0.41 0.04 0.00 0.00 177.00 174.87 2jon n GLY 45 N -1.06 -0.07 0.00 0.56 0.00 -1.26 -5.05 105.19 98.31 2jon n GLY 45 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 3.24 1.20 0.06 -0.02 0.00 -1.26 -5.01 105.19 103.41 2jon n GLY 46 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.75 -0.07 4.61 0.00 -1.97 -3.34 119.26 117.75 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 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jon h ALA 47 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 178.50 2jon h PHE 49 N 0.43 -0.21 -3.37 0.00 3.57 -1.96 -3.41 116.94 112.00 2jon h PHE 49 Ca 0.00 0.01 -0.60 0.00 3.53 0.00 0.00 57.97 60.92 2jon h PHE 49 Cb 0.79 0.11 -0.12 0.00 2.79 0.00 0.00 35.95 39.53 2jon h PHE 49 CO 0.08 -0.13 -0.38 -1.21 -2.23 0.00 0.00 178.31 174.44 2jon s GLU 50 N -6.18 4.19 0.56 1.11 0.41 -1.26 -0.70 118.70 116.84 2jon s GLU 50 Ca -0.14 -0.03 -0.19 0.00 -0.41 0.00 0.00 54.97 54.20 2jon s GLU 50 Cb 0.09 -3.46 -0.05 0.00 -1.78 0.00 0.00 34.13 28.93 2jon s GLU 50 CO 0.67 0.17 1.13 -1.25 -0.49 0.00 0.00 175.26 175.49 2jon s PRO 51 N 0.69 3.27 -0.18 0.39 0.04 -1.26 -5.06 135.00 132.88 2jon s PRO 51 Ca 0.13 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 2jon s PRO 51 Cb -0.13 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2jon s PRO 51 CO 0.03 -0.91 0.14 1.21 0.04 0.00 0.00 177.00 177.51 2jon s ASN 52 N -1.91 6.25 0.55 6.66 2.47 0.12 -5.05 114.94 124.03 2jon s ASN 52 Ca 0.72 0.29 -0.01 0.00 0.42 0.00 0.00 52.86 54.27 2jon s ASN 52 Cb -0.23 -2.09 0.02 0.00 -1.45 0.00 0.00 41.25 37.50 2jon s ASN 52 CO 0.29 0.21 0.80 0.42 -3.72 0.00 0.00 177.10 175.10 2jon s THR 53 N 0.14 3.21 0.01 -5.21 -4.23 -1.26 -5.01 115.64 103.29 2jon s THR 53 Ca 0.10 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 59.91 2jon s THR 53 Cb -0.11 -3.23 -0.15 0.00 1.34 0.00 0.00 72.50 70.35 2jon s THR 53 CO -0.01 -0.19 1.10 0.58 -0.54 0.00 0.00 174.62 175.56 2jon h VAL 54 N 0.04 0.06 -0.05 2.29 2.07 -1.98 -3.00 116.25 115.67 2jon h VAL 54 Ca -0.44 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2jon h VAL 54 Cb 1.28 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2jon h VAL 54 CO 0.56 0.01 0.00 2.29 0.02 0.00 0.00 177.57 180.45 2jon n LYS 55 N -5.38 1.26 -0.33 1.57 0.00 -1.26 -4.24 118.16 109.78 2jon n LYS 55 Ca -0.12 -0.23 0.15 0.00 -0.00 0.00 0.00 58.31 58.12 2jon n LYS 55 Cb 0.36 -1.45 0.35 0.00 -0.00 0.00 0.00 35.03 34.29 2jon n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jon h ALA 56 N 2.34 1.63 0.13 0.58 0.00 -1.92 -1.10 119.26 120.93 2jon h ALA 56 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jon h ALA 56 Cb 0.50 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2jon h ALA 56 CO 0.03 -0.28 -0.30 0.45 0.00 0.00 0.00 179.25 179.15 2jon h HIS 57 N 0.52 -0.82 -0.90 0.00 3.86 -1.82 -1.98 115.15 114.01 2jon h HIS 57 Ca 0.60 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 60.01 2jon h HIS 57 Cb 1.13 0.34 -0.11 0.00 1.06 0.00 0.00 27.41 29.84 2jon h HIS 57 CO -0.06 -0.41 0.47 0.00 0.86 0.00 0.00 177.93 178.79 2jon h ALA 58 N 0.13 1.43 -0.99 2.45 0.00 -1.55 0.97 119.26 121.71 2jon h ALA 58 Ca 0.03 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2jon h ALA 58 Cb 0.55 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2jon h ALA 58 CO -0.17 -0.16 0.64 0.00 0.00 0.00 0.00 179.25 179.55 2jon h ALA 59 N 1.63 1.36 0.40 0.00 0.00 -1.03 0.17 119.26 121.79 2jon h ALA 59 Ca 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2jon h ALA 59 Cb 0.85 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jon h ALA 59 CO -0.42 0.44 -0.19 -0.92 0.00 0.00 0.00 179.25 178.16 2jon h TYR 60 N 1.17 -0.49 -0.73 0.00 5.03 -0.40 -3.26 116.97 118.28 2jon h TYR 60 Ca 0.42 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.82 2jon h TYR 60 Cb 0.15 0.16 -0.07 0.00 1.55 0.00 0.00 36.73 38.52 2jon h TYR 60 CO -0.01 -0.17 0.37 -0.24 -1.32 0.00 0.00 178.16 176.79 2jon h VAL 61 N -0.98 0.84 -1.29 1.81 3.04 -1.15 -0.26 116.25 118.26 2jon h VAL 61 Ca -0.05 -0.21 0.37 0.00 -1.01 0.00 0.00 66.70 65.80 2jon h VAL 61 Cb 0.54 0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 29.94 2jon h VAL 61 CO 0.09 0.11 1.00 -0.03 -1.01 0.00 0.00 177.57 177.73 2jon h MET 62 N 0.61 0.00 0.67 4.17 4.05 -0.71 0.42 114.93 124.15 2jon h MET 62 Ca 0.36 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.75 2jon h MET 62 Cb 0.40 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2jon h MET 62 CO -0.28 0.00 -0.35 -0.97 0.23 0.00 0.00 176.91 175.54 2jon h ASN 63 N 0.00 -0.84 -0.01 1.39 -1.24 -1.10 -1.18 115.58 112.59 2jon h ASN 63 Ca 0.61 0.04 -0.10 0.00 0.71 0.00 0.00 56.30 57.56 2jon h ASN 63 Cb 2.60 0.23 0.01 0.00 0.73 0.00 0.00 38.32 41.89 2jon h ASN 63 CO -0.01 -0.57 -0.38 0.17 -1.29 0.00 0.00 177.43 175.35 2jon h LEU 64 N -0.93 0.35 -0.45 0.34 -0.00 -1.31 -3.23 115.31 110.08 2jon h LEU 64 Ca -0.09 -0.76 0.09 0.00 -0.00 0.00 0.00 57.88 57.12 2jon h LEU 64 Cb 0.73 -0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 41.18 2jon h LEU 64 CO 0.13 1.06 -0.34 0.22 -0.00 0.00 0.00 178.44 179.52 2jon h TYR 65 N -0.33 -0.94 -0.47 0.17 5.03 -0.33 1.25 116.97 121.35 2jon h TYR 65 Ca -0.05 0.06 0.13 0.00 2.58 0.00 0.00 58.73 61.45 2jon h TYR 65 Cb 1.11 0.48 -0.02 0.00 1.55 0.00 0.00 36.73 39.85 2jon h TYR 65 CO 0.16 -0.39 0.34 -0.92 -1.32 0.00 0.00 178.16 176.03 2jon h TYR 66 N -0.23 0.06 -0.01 -3.82 5.03 -1.32 0.32 116.97 117.00 2jon h TYR 66 Ca 0.19 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.50 2jon h TYR 66 Cb 0.55 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.80 2jon h TYR 66 CO -0.57 0.03 -0.35 1.04 -1.32 0.00 0.00 178.16 176.99 2jon n GLN 67 N -4.41 1.11 -0.09 1.82 6.02 0.13 -1.35 117.38 120.60 2jon n GLN 67 Ca 0.08 -0.82 -0.12 0.00 -0.01 0.00 0.00 57.00 56.13 2jon n GLN 67 Cb 0.51 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 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 1.99 0.68 0.18 1.08 2.07 0.53 -3.35 115.15 118.33 2jon h HIS 68 Ca 0.00 -0.17 -0.01 0.00 -2.85 0.00 0.00 60.37 57.34 2jon h HIS 68 Cb 0.65 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.47 2jon h HIS 68 CO 0.00 0.83 -0.09 0.00 -3.07 0.00 0.00 177.93 175.61 2jon h ALA 69 N 0.74 -0.24 0.00 6.11 0.00 -1.73 -3.46 119.26 120.68 2jon h ALA 69 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jon h ALA 69 Cb 0.66 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jon h ALA 69 CO 0.04 -0.23 -0.04 0.41 0.00 0.00 0.00 179.25 179.44 2jon n GLY 70 N 1.17 0.18 3.55 0.00 0.00 -1.26 -4.99 105.19 103.85 2jon n GLY 70 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2jon n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jon n ARG 71 N 0.00 -4.30 -3.56 1.61 1.74 -0.46 -4.96 116.66 106.73 2jon n ARG 71 Ca -0.04 0.57 -0.19 0.00 -0.77 0.00 0.00 57.85 57.42 2jon n ARG 71 Cb 0.26 -5.37 -0.01 0.00 -1.02 0.00 0.00 32.46 26.33 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 -2.94 5.90 0.45 0.55 0.01 -1.24 -4.70 114.94 112.97 2jon s ASN 72 Ca 0.50 -0.21 0.23 0.00 -0.71 0.00 0.00 52.86 52.66 2jon s ASN 72 Cb -0.25 -1.24 1.06 0.00 0.41 0.00 0.00 41.25 41.22 2jon s ASN 72 CO 0.62 -0.39 1.91 0.77 -1.51 0.00 0.00 177.10 178.49 2jon h SER 73 N 0.97 0.00 0.00 -1.22 4.64 -1.93 -1.96 113.55 114.06 2jon h SER 73 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 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 0.54 0.23 0.00 -2.67 -0.87 0.00 0.00 176.83 174.06 2jon n TRP 74 N -3.62 0.00 1.60 4.77 2.14 -1.26 -3.18 117.44 117.89 2jon n TRP 74 Ca -0.01 0.00 0.15 0.00 2.07 0.00 0.00 57.50 59.71 2jon n TRP 74 Cb 0.36 0.00 0.82 0.00 -0.81 0.00 0.00 31.31 31.68 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 -0.91 0.00 -4.32 -0.67 4.05 -0.74 -4.59 115.26 108.09 2jon n ASN 75 Ca 0.19 -0.41 -0.44 0.00 0.45 0.00 0.00 54.58 54.37 2jon n ASN 75 Cb 0.09 -0.20 -0.07 0.00 1.23 0.00 0.00 39.78 40.83 2jon n ASN 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jon n ASP 77 N 5.16 2.16 0.00 0.00 8.00 -1.26 -4.81 116.55 125.80 2jon n ASP 77 Ca -0.12 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.42 2jon n ASP 77 Cb 0.41 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2jon n ASP 77 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jon n PHE 78 N -0.26 0.00 -3.91 1.24 3.01 -1.26 -5.01 117.46 111.28 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 0.28 -0.46 0.01 0.00 -0.01 0.00 0.00 39.48 39.30 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 -2.08 -0.01 0.00 4.37 0.01 -1.26 -4.77 113.70 109.96 2jon s SER 79 Ca 0.00 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.99 2jon s SER 79 Cb 0.00 0.26 0.39 0.00 0.21 0.00 0.00 66.02 66.88 2jon s SER 79 CO 0.00 -0.52 1.00 1.67 0.41 0.00 0.00 173.24 175.80 2jon n GLN 80 N -0.78 0.16 -0.13 12.44 -0.06 -1.26 -2.47 117.38 125.28 2jon n GLN 80 Ca 0.00 0.12 -0.27 0.00 -2.00 0.00 0.00 57.00 54.84 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 25.17 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2jon n THR 81 N -1.15 1.53 0.82 1.69 -2.24 -1.26 -4.34 114.28 109.32 2jon n THR 81 Ca 0.04 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2jon n THR 81 Cb 0.04 -1.87 0.02 0.00 -2.10 0.00 0.00 70.33 66.43 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 -3.99 2.70 -2.19 6.98 0.00 -1.03 -1.30 120.51 121.68 2jon n ALA 82 Ca -0.50 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 2jon n ALA 82 Cb 0.86 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 19.43 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 0.23 0.00 -2.07 0.00 5.66 -1.15 -3.52 114.28 113.42 2jon n THR 83 Ca 0.04 -1.12 -0.42 0.00 -3.05 0.00 0.00 64.05 59.50 2jon n THR 83 Cb 0.48 -1.26 -0.03 0.00 -1.55 0.00 0.00 70.33 67.98 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 4.38 0.38 1.09 2.01 -1.26 -2.30 118.68 122.98 2jon s LEU 84 Ca 0.62 2.48 0.08 0.00 0.01 0.00 0.00 54.13 57.31 2jon s LEU 84 Cb -0.03 -3.59 -0.02 0.00 0.01 0.00 0.00 46.19 42.56 2jon s LEU 84 CO 0.42 -0.71 0.36 0.28 1.01 0.00 0.00 176.35 177.70 2jon s THR 85 N 0.92 3.07 0.00 5.49 -1.32 0.11 -4.91 115.64 119.00 2jon s THR 85 Ca 0.65 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2jon s THR 85 Cb -0.40 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 2jon s THR 85 CO 0.33 -0.08 0.00 0.59 -2.21 0.00 0.00 174.62 173.25 2jon n ASN 86 N -1.50 -1.16 -4.04 8.08 3.02 -1.26 -3.82 115.26 114.59 2jon n ASN 86 Ca 0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.24 2jon n ASN 86 Cb 0.61 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.86 2jon n ASN 86 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jon n THR 87 N -2.38 0.00 -1.49 3.41 -2.24 -1.26 -4.49 114.28 105.83 2jon n THR 87 Ca 0.00 -0.10 -0.45 0.00 -2.27 0.00 0.00 64.05 61.23 2jon n THR 87 Cb 0.00 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 2jon n THR 87 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jon n ASN 88 N 1.47 1.95 0.00 3.42 4.05 -1.26 -4.77 115.26 120.12 2jon n ASN 88 Ca -0.00 0.13 0.08 0.00 0.45 0.00 0.00 54.58 55.24 2jon n ASN 88 Cb 0.63 -1.31 0.44 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 8.48 0.43 -1.47 1.20 -0.04 -1.26 -4.80 135.00 137.55 2jon n PRO 89 Ca 0.44 0.03 -0.50 0.00 -0.04 0.00 0.00 63.50 63.43 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 -1.06 2.28 0.11 3.54 2.88 -1.26 -4.80 113.62 115.31 2jon n SER 90 Ca 0.11 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 58.17 2jon n SER 90 Cb 0.07 -1.29 0.11 0.00 -0.75 0.00 0.00 64.21 62.35 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 12.57 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 124.83 2jon h TYR 91 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.44 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 0.95 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.52 2jon n GLY 92 N 1.22 0.06 0.32 0.10 0.00 -1.26 -4.98 105.19 100.65 2jon n GLY 92 Ca 0.02 0.54 0.02 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 2.00 1.56 -1.48 4.61 0.00 -2.02 -3.38 119.26 120.55 2jon h ALA 93 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 2jon h ALA 93 Cb 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 2jon h ALA 93 CO 0.00 0.38 1.14 0.00 0.00 0.00 0.00 179.25 180.77 2jon s ASN 95 N 4.93 6.45 0.13 0.00 3.84 -1.26 -3.92 114.94 125.11 2jon s ASN 95 Ca 0.48 0.54 -0.11 0.00 0.21 0.00 0.00 52.86 53.98 2jon s ASN 95 Cb -0.10 -2.09 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 2jon s ASN 95 CO 0.20 0.39 0.48 -0.36 -2.79 0.00 0.00 177.10 175.02 2jon s PHE 96 N -1.05 3.56 -0.04 0.43 0.40 -1.26 -5.02 117.98 115.00 2jon s PHE 96 Ca 0.17 0.90 -0.30 0.00 -0.60 0.00 0.00 56.93 57.10 2jon s PHE 96 Cb -0.13 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.10 2jon s PHE 96 CO 0.06 0.44 1.48 -1.25 0.70 0.00 0.00 175.22 176.64 2jon s PRO 97 N -2.11 4.24 0.04 0.24 0.04 -1.26 -4.90 135.00 131.29 2jon s PRO 97 Ca 0.38 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.66 2jon s PRO 97 Cb -0.14 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2jon s PRO 97 CO 0.19 -0.69 0.99 -1.13 0.04 0.00 0.00 177.00 176.40 2jon n SER 98 N 6.10 0.61 0.00 6.66 3.41 -1.26 -3.37 113.62 125.77 2jon n SER 98 Ca 0.15 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2jon n SER 98 Cb 0.43 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 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 1.38 1.15 3.97 5.00 0.00 -1.26 -4.60 105.19 110.83 2jon n GLY 99 Ca 0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 4.25 0.00 1.61 0.15 -1.26 -4.80 113.70 113.65 2jon s SER 100 Ca 0.00 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.81 2jon s SER 100 Cb 0.00 -0.28 0.98 0.00 -1.71 0.00 0.00 66.02 65.01 2jon s SER 100 CO 0.00 -1.93 1.71 -0.46 1.20 0.00 0.00 173.24 173.76