#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 2.08 -0.43 0.00 2.01 -1.26 -5.08 115.64 112.96 2jon s THR 2 Ca 0.00 -1.05 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 2jon s THR 2 Cb 0.00 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2jon s THR 2 CO 0.00 0.57 1.75 -2.16 -0.69 0.00 0.00 174.62 174.09 2jon s PRO 3 N -0.11 3.16 0.01 4.92 0.04 -1.26 -4.97 135.00 136.79 2jon s PRO 3 Ca -0.05 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 2jon s PRO 3 Cb -0.14 -4.23 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2jon s PRO 3 CO 0.04 -2.08 -0.01 0.95 0.04 0.00 0.00 177.00 175.94 2jon s THR 4 N 7.32 0.09 0.31 1.26 -4.23 -1.26 -5.14 115.64 113.99 2jon s THR 4 Ca 0.73 -0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 2jon s THR 4 Cb -0.18 -0.24 -0.10 0.00 1.34 0.00 0.00 72.50 73.32 2jon s THR 4 CO 0.29 -0.42 1.23 -2.16 -0.54 0.00 0.00 174.62 173.03 2jon s PRO 5 N -1.24 4.46 -0.00 3.99 0.04 -1.26 -5.04 135.00 135.95 2jon s PRO 5 Ca -0.14 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2jon s PRO 5 Cb -0.08 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2jon s PRO 5 CO -0.01 -0.04 -0.11 -0.08 0.04 0.00 0.00 177.00 176.80 2jon s THR 6 N -1.09 3.32 -2.00 1.26 -1.32 -1.26 -4.99 115.64 109.56 2jon s THR 6 Ca 0.48 -0.85 0.08 0.00 -1.21 0.00 0.00 61.69 60.19 2jon s THR 6 Cb -0.37 -2.40 0.23 0.00 -1.51 0.00 0.00 72.50 68.45 2jon s THR 6 CO 0.48 0.43 0.93 -0.81 -2.21 0.00 0.00 174.62 173.44 2jon n PRO 7 N 1.75 0.49 -1.51 7.08 -0.04 -1.26 -4.78 135.00 136.72 2jon n PRO 7 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.89 2jon n PRO 7 Cb 0.52 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.65 2jon n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jon n LYS 8 N -0.76 0.75 -0.90 0.54 5.02 -1.26 -4.90 118.16 116.65 2jon n LYS 8 Ca 0.06 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.12 2jon n LYS 8 Cb 0.03 -2.64 0.17 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 -0.52 0.00 0.00 177.40 176.88 2jon s ALA 9 N 10.16 1.03 0.20 7.82 0.00 -1.26 -4.98 121.76 134.73 2jon s ALA 9 Ca 1.12 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 2jon s ALA 9 Cb -0.65 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.11 2jon s ALA 9 CO 0.38 -2.83 0.94 0.00 0.00 0.00 0.00 175.76 174.26 2jon s ALA 10 N -2.73 3.31 0.00 0.00 0.00 -1.26 -4.52 121.76 116.57 2jon s ALA 10 Ca 0.65 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2jon s ALA 10 Cb -0.21 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2jon s ALA 10 CO 0.59 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.91 2jon n GLY 11 N 1.70 0.00 3.55 0.00 0.00 -1.26 -5.00 105.19 104.19 2jon n GLY 11 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.64 -0.87 -0.07 1.61 0.01 -1.26 -4.59 113.70 107.89 2jon s SER 12 Ca 0.00 1.39 -0.00 0.00 1.31 0.00 0.00 55.95 58.64 2jon s SER 12 Cb 0.00 1.45 0.02 0.00 0.21 0.00 0.00 66.02 67.71 2jon s SER 12 CO 0.00 -0.23 -0.04 0.26 0.41 0.00 0.00 173.24 173.64 2jon s TRP 13 N 1.90 0.96 -0.54 2.43 0.51 -1.25 -4.68 118.94 118.27 2jon s TRP 13 Ca -0.09 -0.35 -0.18 0.00 -2.12 0.00 0.00 56.10 53.36 2jon s TRP 13 Cb -0.07 -0.90 0.10 0.00 -0.81 0.00 0.00 33.47 31.79 2jon s TRP 13 CO -0.18 -0.34 0.58 0.00 -0.51 0.00 0.00 176.95 176.50 2jon s VAL 15 N 2.20 0.05 0.11 0.00 -7.23 0.45 -4.77 120.40 111.21 2jon s VAL 15 Ca 0.09 -0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 59.56 2jon s VAL 15 Cb -0.25 -0.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 2jon s VAL 15 CO 0.07 -0.21 1.37 -2.16 -0.31 0.00 0.00 175.10 173.85 2jon s PRO 16 N -1.84 4.33 -0.15 4.82 0.04 -1.26 -3.17 135.00 137.78 2jon s PRO 16 Ca -0.09 2.03 -0.37 0.00 0.04 0.00 0.00 61.00 62.62 2jon s PRO 16 Cb -0.02 -3.27 -0.14 0.00 0.04 0.00 0.00 34.50 31.12 2jon s PRO 16 CO 0.02 -0.42 1.79 1.63 0.04 0.00 0.00 177.00 180.07 2jon n LYS 17 N 3.97 1.73 -2.07 4.56 5.02 -1.21 -4.81 118.16 125.35 2jon n LYS 17 Ca 0.11 0.63 -0.28 0.00 -2.02 0.00 0.00 58.31 56.75 2jon n LYS 17 Cb 0.43 -2.40 -0.06 0.00 -0.02 0.00 0.00 35.03 32.97 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 3.59 2.50 0.00 1.97 0.04 -1.26 -2.88 135.00 138.96 2jon s PRO 18 Ca 0.94 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2jon s PRO 18 Cb -0.85 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 28.45 2jon s PRO 18 CO 0.56 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 174.06 2jon n GLY 19 N 5.85 0.13 3.55 0.56 0.00 -1.26 -5.15 105.19 108.86 2jon n GLY 19 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.60 1.61 0.31 -1.14 -4.81 118.33 112.70 2jon n VAL 20 Ca 0.00 -0.22 -0.47 0.00 -0.01 0.00 0.00 64.34 63.64 2jon n VAL 20 Cb 0.00 -0.96 -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 -4.28 3.12 -0.09 4.52 7.64 -1.26 -4.85 113.62 118.41 2jon n SER 21 Ca 0.07 0.62 -0.02 0.00 1.01 0.00 0.00 58.87 60.55 2jon n SER 21 Cb 0.53 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.31 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 8.89 -0.23 -0.33 6.43 9.92 -1.26 0.76 116.55 140.74 2jon n ASP 22 Ca 0.29 1.04 0.24 0.00 -0.53 0.00 0.00 54.79 55.83 2jon n ASP 22 Cb 0.33 -0.38 0.45 0.00 -0.64 0.00 0.00 41.12 40.87 2jon n ASP 22 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jon n ASP 23 N -3.42 0.13 -0.03 -2.24 2.03 -1.26 0.87 116.55 112.63 2jon n ASP 23 Ca 0.00 1.64 -0.10 0.00 0.52 0.00 0.00 54.79 56.86 2jon n ASP 23 Cb 0.06 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 39.71 2jon n ASP 23 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2jon h GLN 24 N 0.00 0.16 0.00 -0.67 5.75 -0.02 -2.16 115.11 118.17 2jon h GLN 24 Ca 0.72 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 59.12 2jon h GLN 24 Cb 1.76 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.26 2jon h GLN 24 CO -0.83 0.11 -0.44 -0.07 -2.65 0.00 0.00 178.83 174.95 2jon h LEU 25 N 0.17 0.00 -0.82 -2.39 -0.00 0.13 -3.09 115.31 109.31 2jon h LEU 25 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2jon h LEU 25 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.65 2jon h LEU 25 CO -0.07 0.44 0.50 0.74 -0.00 0.00 0.00 178.44 180.05 2jon h THR 26 N 0.00 1.23 -0.94 0.22 2.02 0.24 -2.28 112.91 113.40 2jon h THR 26 Ca -0.00 -0.49 0.24 0.00 0.77 0.00 0.00 66.41 66.93 2jon h THR 26 Cb 0.89 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 2jon h THR 26 CO 0.06 0.24 0.64 1.23 0.37 0.00 0.00 175.52 178.05 2jon h GLY 27 N 1.12 0.57 0.58 2.16 0.00 -1.36 -0.23 103.07 105.92 2jon h GLY 27 Ca 0.30 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.58 2jon h GLY 27 CO -0.06 -0.03 0.30 3.43 0.00 0.00 0.00 176.54 180.19 2jon h ASN 28 N 0.24 0.40 0.54 0.19 2.35 -1.56 -2.61 115.58 115.13 2jon h ASN 28 Ca 0.48 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.25 2jon h ASN 28 Cb 1.48 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.83 2jon h ASN 28 CO -0.13 0.26 -0.26 0.40 -1.65 0.00 0.00 177.43 176.05 2jon h ILE 29 N 0.55 0.00 -0.88 2.81 2.04 -1.16 0.15 117.51 121.02 2jon h ILE 29 Ca 0.29 -0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.48 2jon h ILE 29 Cb 0.25 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.17 2jon h ILE 29 CO -0.22 0.00 0.34 0.59 0.00 0.00 0.00 178.15 178.86 2jon n ASN 30 N -3.97 0.19 0.01 1.72 4.13 -1.17 0.11 115.26 116.28 2jon n ASN 30 Ca -0.09 1.47 -0.01 0.00 1.68 0.00 0.00 54.58 57.63 2jon n ASN 30 Cb 0.29 -0.66 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 2jon n ASN 30 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2jon h TYR 31 N 0.00 -0.04 0.00 3.10 3.20 -1.25 -3.27 116.97 118.70 2jon h TYR 31 Ca 0.69 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.55 2jon h TYR 31 Cb 1.72 0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.01 2jon h TYR 31 CO -0.14 -0.03 0.60 0.00 -1.64 0.00 0.00 178.16 176.95 2jon h ALA 32 N -1.87 1.59 0.00 1.82 0.00 0.28 0.65 119.26 121.73 2jon h ALA 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jon h ALA 32 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jon h ALA 32 CO 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.67 2jon n SER 34 N -0.92 3.79 -0.13 0.00 7.64 0.23 -4.57 113.62 119.66 2jon n SER 34 Ca 0.11 -2.80 -0.27 0.00 1.01 0.00 0.00 58.87 56.91 2jon n SER 34 Cb 0.05 -0.49 -0.11 0.00 -1.01 0.00 0.00 64.21 62.65 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 -0.23 0.60 0.00 1.43 0.00 -0.82 -5.07 117.38 113.28 2jon n GLN 35 Ca 0.20 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.51 2jon n GLN 35 Cb 0.81 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.50 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 1.40 2.89 0.30 1.69 0.00 -1.26 -4.90 105.19 105.31 2jon n GLY 36 Ca -0.49 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.06 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 0.16 -0.04 -0.61 -0.00 -1.26 -3.99 119.36 113.62 2jon n ILE 37 Ca 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 62.75 62.61 2jon n ILE 37 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.64 39.53 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 0.45 0.00 -3.12 7.28 3.32 -1.91 -3.42 116.42 119.03 2jon h ASP 38 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2jon h ASP 38 Cb 0.27 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 2jon h ASP 38 CO 0.02 0.44 0.81 0.00 -1.72 0.00 0.00 179.24 178.78 2jon n GLY 40 N 3.42 2.29 0.00 0.00 0.00 -1.26 -4.86 105.19 104.78 2jon n GLY 40 Ca 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.28 135.00 132.44 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 -1.19 0.04 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.69 0.25 -2.38 0.52 -5.35 -1.25 -4.83 119.36 105.63 2jon n ILE 42 Ca 0.04 -0.14 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 2jon n ILE 42 Cb 0.02 -0.37 -0.03 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 -1.33 4.32 1.18 6.28 -0.21 -1.20 -4.87 119.66 123.83 2jon s GLN 43 Ca 0.06 1.76 -0.20 0.00 0.02 0.00 0.00 55.36 57.00 2jon s GLN 43 Cb 0.04 -3.59 0.29 0.00 1.00 0.00 0.00 33.01 30.75 2jon s GLN 43 CO 0.02 -0.52 1.04 -0.35 -2.12 0.00 0.00 175.29 173.37 2jon n PRO 44 N 5.42 -3.06 0.00 2.91 -0.04 -1.26 -5.04 135.00 133.93 2jon n PRO 44 Ca 0.12 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 2jon n PRO 44 Cb 0.45 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -4.45 0.00 0.00 0.55 0.00 -1.26 -5.05 105.19 94.97 2jon n GLY 45 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 2.54 1.03 0.08 -0.02 0.00 -1.26 -5.01 105.19 102.55 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 -0.73 -0.00 4.61 0.00 -1.97 -3.37 119.26 117.80 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 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jon h ALA 47 CO 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 179.25 178.45 2jon h PHE 49 N 0.21 -0.93 -3.26 0.00 3.57 -1.96 -3.37 116.94 111.21 2jon h PHE 49 Ca 0.00 0.10 -0.60 0.00 3.53 0.00 0.00 57.97 61.00 2jon h PHE 49 Cb 0.08 0.55 -0.11 0.00 2.79 0.00 0.00 35.95 39.25 2jon h PHE 49 CO 0.00 -0.41 -0.44 -1.21 -2.23 0.00 0.00 178.31 174.03 2jon s GLU 50 N -6.03 4.19 0.58 1.11 2.02 -1.26 -1.23 118.70 118.08 2jon s GLU 50 Ca -0.14 -0.11 -0.18 0.00 0.02 0.00 0.00 54.97 54.56 2jon s GLU 50 Cb 0.21 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2jon s GLU 50 CO 0.73 0.29 1.12 -1.25 0.02 0.00 0.00 175.26 176.17 2jon s PRO 51 N 0.36 3.16 -0.03 0.39 0.04 -1.26 -5.02 135.00 132.64 2jon s PRO 51 Ca 0.11 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 2jon s PRO 51 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2jon s PRO 51 CO 0.00 -0.99 0.13 0.54 0.04 0.00 0.00 177.00 176.73 2jon s ASN 52 N -2.07 6.11 0.34 6.66 4.22 -0.37 -5.05 114.94 124.78 2jon s ASN 52 Ca 0.71 0.30 0.01 0.00 -2.14 0.00 0.00 52.86 51.74 2jon s ASN 52 Cb -0.23 -1.88 -0.03 0.00 1.28 0.00 0.00 41.25 40.40 2jon s ASN 52 CO 0.32 0.30 0.53 0.42 -2.04 0.00 0.00 177.10 176.64 2jon s THR 53 N -1.20 5.05 0.02 0.54 -4.23 -1.26 -5.03 115.64 109.53 2jon s THR 53 Ca 0.23 -0.53 -0.25 0.00 -1.18 0.00 0.00 61.69 59.96 2jon s THR 53 Cb -0.12 -3.84 -0.17 0.00 1.34 0.00 0.00 72.50 69.71 2jon s THR 53 CO 0.13 -0.52 1.34 0.58 -0.54 0.00 0.00 174.62 175.61 2jon h VAL 54 N 0.78 0.87 -0.03 2.29 2.07 -1.98 -2.78 116.25 117.47 2jon h VAL 54 Ca -0.50 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2jon h VAL 54 Cb 1.22 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2jon h VAL 54 CO 0.61 0.13 0.00 2.29 0.02 0.00 0.00 177.57 180.62 2jon n LYS 55 N -5.08 1.17 -0.01 1.57 0.00 -1.26 -4.28 118.16 110.27 2jon n LYS 55 Ca -0.09 -0.15 -0.12 0.00 -0.00 0.00 0.00 58.31 57.95 2jon n LYS 55 Cb 0.23 -1.43 -0.05 0.00 -0.00 0.00 0.00 35.03 33.77 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 2.30 -0.51 -0.78 0.58 0.00 -1.85 -1.73 119.26 117.26 2jon h ALA 56 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 2jon h ALA 56 Cb 0.47 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 2jon h ALA 56 CO 0.02 -0.88 -0.18 1.58 0.00 0.00 0.00 179.25 179.79 2jon n HIS 57 N -5.43 0.29 -0.17 0.00 -0.00 -1.26 0.25 115.22 108.90 2jon n HIS 57 Ca -0.04 0.95 -0.06 0.00 -0.00 0.00 0.00 57.72 58.57 2jon n HIS 57 Cb 0.35 -0.96 0.11 0.00 -0.00 0.00 0.00 29.99 29.49 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 1.56 1.02 0.39 1.57 0.00 -1.67 -2.56 119.26 119.57 2jon h ALA 58 Ca 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jon h ALA 58 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jon h ALA 58 CO -0.80 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 178.88 2jon h ALA 59 N 1.17 -0.52 0.31 0.00 0.00 0.38 0.19 119.26 120.80 2jon h ALA 59 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jon h ALA 59 Cb 0.43 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jon h ALA 59 CO 0.01 -0.78 -0.35 -0.92 0.00 0.00 0.00 179.25 177.22 2jon h TYR 60 N -0.56 -0.97 -0.90 0.00 5.03 -1.01 -2.38 116.97 116.19 2jon h TYR 60 Ca -0.05 0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.42 2jon h TYR 60 Cb 0.42 0.38 -0.07 0.00 1.55 0.00 0.00 36.73 39.01 2jon h TYR 60 CO -0.04 -0.46 0.58 -0.24 -1.32 0.00 0.00 178.16 176.68 2jon h VAL 61 N -0.67 0.81 -0.19 1.81 3.04 -1.50 -0.08 116.25 119.47 2jon h VAL 61 Ca -0.04 -0.23 0.06 0.00 -1.01 0.00 0.00 66.70 65.48 2jon h VAL 61 Cb 0.59 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 2jon h VAL 61 CO -0.06 0.12 0.74 0.24 -1.01 0.00 0.00 177.57 177.60 2jon h MET 62 N 0.67 0.00 0.19 4.17 2.86 -0.06 0.44 114.93 123.19 2jon h MET 62 Ca 0.46 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.09 2jon h MET 62 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2jon h MET 62 CO -0.21 0.00 -0.09 -0.97 1.06 0.00 0.00 176.91 176.70 2jon h ASN 63 N 0.00 -0.21 0.08 1.22 -0.73 -1.03 -2.86 115.58 112.05 2jon h ASN 63 Ca 0.09 -0.32 -0.13 0.00 1.87 0.00 0.00 56.30 57.81 2jon h ASN 63 Cb 1.58 0.06 0.01 0.00 0.27 0.00 0.00 38.32 40.24 2jon h ASN 63 CO -0.00 0.31 -0.57 0.17 -0.37 0.00 0.00 177.43 176.97 2jon h LEU 64 N -0.85 0.36 -0.57 0.34 -0.00 -0.84 -3.30 115.31 110.45 2jon h LEU 64 Ca -0.03 -0.92 0.12 0.00 -0.00 0.00 0.00 57.88 57.05 2jon h LEU 64 Cb 0.52 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 40.96 2jon h LEU 64 CO 0.04 1.25 -0.11 0.22 -0.00 0.00 0.00 178.44 179.84 2jon h TYR 65 N -0.47 -0.24 -0.59 0.17 5.03 -0.46 0.80 116.97 121.21 2jon h TYR 65 Ca -0.09 0.05 0.13 0.00 2.58 0.00 0.00 58.73 61.39 2jon h TYR 65 Cb 1.41 0.20 -0.03 0.00 1.55 0.00 0.00 36.73 39.85 2jon h TYR 65 CO 0.20 -0.23 0.40 -0.92 -1.32 0.00 0.00 178.16 176.30 2jon h TYR 66 N 0.02 0.26 -0.01 -3.82 5.03 -1.62 0.25 116.97 117.07 2jon h TYR 66 Ca 0.28 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.60 2jon h TYR 66 Cb 0.43 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.63 2jon h TYR 66 CO -0.45 0.11 -0.40 1.04 -1.32 0.00 0.00 178.16 177.15 2jon n GLN 67 N -4.44 1.05 0.01 1.82 6.02 0.11 -1.00 117.38 120.95 2jon n GLN 67 Ca 0.10 -0.79 -0.19 0.00 -0.01 0.00 0.00 57.00 56.12 2jon n GLN 67 Cb 0.49 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 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 1.93 1.00 0.14 1.08 2.76 0.39 -3.36 115.15 119.09 2jon h HIS 68 Ca 0.00 -0.50 -0.01 0.00 -2.20 0.00 0.00 60.37 57.67 2jon h HIS 68 Cb 0.66 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2jon h HIS 68 CO 0.00 1.33 -0.07 0.00 -1.30 0.00 0.00 177.93 177.89 2jon h ALA 69 N 0.45 -0.21 0.00 5.26 0.00 -1.69 -3.46 119.26 119.61 2jon h ALA 69 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jon h ALA 69 Cb 1.51 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2jon h ALA 69 CO 0.17 -0.20 -0.01 0.41 0.00 0.00 0.00 179.25 179.62 2jon n GLY 70 N 1.27 0.49 2.95 0.00 0.00 -1.26 -4.99 105.19 103.66 2jon n GLY 70 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.15 -3.68 1.61 1.74 -0.17 -4.83 116.66 108.18 2jon n ARG 71 Ca -0.01 0.59 -0.21 0.00 -0.77 0.00 0.00 57.85 57.45 2jon n ARG 71 Cb 0.29 -5.28 -0.03 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 -2.45 5.16 0.50 0.55 0.01 -1.24 -4.47 114.94 113.00 2jon s ASN 72 Ca 0.23 -0.63 0.28 0.00 -0.71 0.00 0.00 52.86 52.03 2jon s ASN 72 Cb -0.12 -0.75 1.22 0.00 0.41 0.00 0.00 41.25 42.01 2jon s ASN 72 CO 0.28 -0.51 1.95 0.77 -1.51 0.00 0.00 177.10 178.07 2jon h SER 73 N 1.13 0.00 -0.02 -1.22 4.64 -1.92 -2.07 113.55 114.09 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 0.58 0.14 0.00 -2.67 -0.87 0.00 0.00 176.83 174.00 2jon n TRP 74 N -3.36 0.02 0.20 4.77 2.14 -1.26 -3.42 117.44 116.53 2jon n TRP 74 Ca -0.00 -0.01 0.08 0.00 2.07 0.00 0.00 57.50 59.64 2jon n TRP 74 Cb 0.34 0.00 0.35 0.00 -0.81 0.00 0.00 31.31 31.19 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 0.29 0.00 -2.68 -0.67 -1.24 -1.68 -3.41 115.58 106.19 2jon h ASN 75 Ca 0.00 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.45 2jon h ASN 75 Cb 0.06 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.02 2jon h ASN 75 CO 0.00 0.29 0.91 0.00 -1.29 0.00 0.00 177.43 177.34 2jon n ASP 77 N 8.70 2.27 0.08 0.00 8.00 -1.26 -4.80 116.55 129.54 2jon n ASP 77 Ca 0.03 -2.15 -0.04 0.00 0.71 0.00 0.00 54.79 53.35 2jon n ASP 77 Cb 0.48 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.43 -0.24 -2.29 1.24 -1.00 -1.86 -3.49 116.94 109.73 2jon h PHE 78 Ca 0.00 -0.00 0.24 0.00 2.81 0.00 0.00 57.97 61.02 2jon h PHE 78 Cb 0.62 0.09 -0.06 0.00 3.61 0.00 0.00 35.95 40.22 2jon h PHE 78 CO 0.06 -0.13 0.72 -1.12 -1.61 0.00 0.00 178.31 176.22 2jon s SER 79 N -2.48 -0.01 0.00 2.17 0.01 -1.26 -4.80 113.70 107.33 2jon s SER 79 Ca -0.03 -0.44 0.09 0.00 1.31 0.00 0.00 55.95 56.87 2jon s SER 79 Cb 0.01 0.34 0.50 0.00 0.21 0.00 0.00 66.02 67.07 2jon s SER 79 CO 0.11 -0.67 1.04 0.00 0.41 0.00 0.00 173.24 174.13 2jon n GLN 80 N -0.75 0.22 -0.10 12.44 3.00 -1.26 -2.61 117.38 128.32 2jon n GLN 80 Ca -0.01 0.08 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 2jon n GLN 80 Cb 0.59 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.24 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 -1.11 1.52 -2.70 5.09 -2.24 -1.26 -4.81 114.28 108.77 2jon n THR 81 Ca 0.06 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2jon n THR 81 Cb 0.04 -2.08 -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 -2.46 3.11 0.35 6.98 0.00 -1.07 -3.28 121.76 125.39 2jon s ALA 82 Ca -0.28 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 2jon s ALA 82 Cb 0.07 -3.86 0.02 0.00 0.00 0.00 0.00 23.12 19.35 2jon s ALA 82 CO 0.52 -2.41 0.59 -0.08 0.00 0.00 0.00 175.76 174.38 2jon s THR 83 N 4.37 0.00 0.67 0.00 -1.32 -1.19 -4.45 115.64 113.72 2jon s THR 83 Ca 0.39 -1.38 -0.16 0.00 -1.21 0.00 0.00 61.69 59.34 2jon s THR 83 Cb -0.09 -2.69 0.01 0.00 -1.51 0.00 0.00 72.50 68.22 2jon s THR 83 CO 0.25 0.00 1.16 -0.76 -2.21 0.00 0.00 174.62 173.06 2jon s LEU 84 N -3.16 3.42 0.23 9.08 1.43 -1.25 -0.41 118.68 128.00 2jon s LEU 84 Ca 0.25 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 2jon s LEU 84 Cb -0.02 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 2jon s LEU 84 CO 0.16 -1.85 0.04 0.28 0.23 0.00 0.00 176.35 175.22 2jon s THR 85 N -2.07 0.71 0.00 5.49 -1.32 0.16 -4.86 115.64 113.75 2jon s THR 85 Ca 0.71 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 2jon s THR 85 Cb -0.25 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2jon s THR 85 CO 0.41 -0.22 0.00 0.59 -2.21 0.00 0.00 174.62 173.19 2jon n ASN 86 N -0.39 -1.18 -3.89 8.08 4.13 -1.26 -3.75 115.26 117.01 2jon n ASN 86 Ca -0.03 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.99 2jon n ASN 86 Cb 0.65 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.97 2jon n ASN 86 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2jon n THR 87 N -2.40 0.00 -1.48 3.41 -2.24 -1.26 -4.45 114.28 105.85 2jon n THR 87 Ca 0.00 -0.07 -0.46 0.00 -2.27 0.00 0.00 64.05 61.25 2jon n THR 87 Cb 0.00 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.99 2.04 0.00 3.42 4.05 -1.26 -4.77 115.26 119.72 2jon n ASN 88 Ca 0.01 0.20 0.08 0.00 0.45 0.00 0.00 54.58 55.32 2jon n ASN 88 Cb 0.46 -1.31 0.45 0.00 1.23 0.00 0.00 39.78 40.61 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 8.43 0.46 -1.49 1.20 -0.04 -1.26 -4.78 135.00 137.51 2jon n PRO 89 Ca 0.43 0.02 -0.45 0.00 -0.04 0.00 0.00 63.50 63.45 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 -1.03 1.96 0.16 3.54 2.88 -1.26 -4.78 113.62 115.09 2jon n SER 90 Ca 0.11 0.13 0.13 0.00 -1.33 0.00 0.00 58.87 57.91 2jon n SER 90 Cb 0.06 -1.31 0.30 0.00 -0.75 0.00 0.00 64.21 62.52 2jon n SER 90 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 2jon h TYR 91 N 14.28 0.00 0.00 0.66 -0.00 -1.87 -3.49 116.97 126.55 2jon h TYR 91 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.49 2jon h TYR 91 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.03 2jon h TYR 91 CO 0.98 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.55 2jon n GLY 92 N 1.18 -0.66 0.29 0.10 0.00 -1.26 -4.98 105.19 99.86 2jon n GLY 92 Ca 0.05 0.63 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 2jon n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jon h ALA 93 N 0.00 1.09 -1.48 4.61 0.00 -1.99 -3.39 119.26 118.10 2jon h ALA 93 Ca 0.00 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 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 0.58 1.14 0.00 0.00 0.00 0.00 179.25 180.97 2jon s ASN 95 N 4.95 6.39 0.02 0.00 2.20 -1.26 -3.86 114.94 123.38 2jon s ASN 95 Ca 0.49 0.44 -0.14 0.00 -0.94 0.00 0.00 52.86 52.70 2jon s ASN 95 Cb -0.10 -2.05 -0.06 0.00 -2.00 0.00 0.00 41.25 37.04 2jon s ASN 95 CO 0.20 0.36 0.42 -0.36 -2.94 0.00 0.00 177.10 174.78 2jon s PHE 96 N -1.13 3.71 0.15 1.54 0.40 -1.26 -5.01 117.98 116.37 2jon s PHE 96 Ca 0.19 0.99 -0.31 0.00 -0.60 0.00 0.00 56.93 57.20 2jon s PHE 96 Cb -0.12 -2.29 -0.08 0.00 0.51 0.00 0.00 43.02 41.04 2jon s PHE 96 CO 0.09 0.62 1.33 -1.25 0.70 0.00 0.00 175.22 176.71 2jon s PRO 97 N -1.23 4.36 0.00 0.24 0.04 -1.26 -4.91 135.00 132.24 2jon s PRO 97 Ca 0.26 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2jon s PRO 97 Cb -0.16 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.15 2jon s PRO 97 CO 0.15 -0.33 0.46 0.45 0.04 0.00 0.00 177.00 177.77 2jon n SER 98 N 3.33 0.94 0.00 6.66 2.88 -1.26 -4.31 113.62 121.86 2jon n SER 98 Ca 0.09 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2jon n SER 98 Cb 0.43 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 2jon n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jon n GLY 99 N 0.35 2.30 3.58 0.46 0.00 -1.26 -4.91 105.19 105.72 2jon n GLY 99 Ca 0.01 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.26 5.92 0.00 1.61 0.01 -1.26 -4.78 113.70 114.94 2jon s SER 100 Ca 0.00 0.79 0.29 0.00 1.31 0.00 0.00 55.95 58.34 2jon s SER 100 Cb 0.00 -2.53 1.37 0.00 0.21 0.00 0.00 66.02 65.06 2jon s SER 100 CO 0.00 -1.78 1.92 -0.46 0.41 0.00 0.00 173.24 173.34