#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 2.90 0.92 0.00 2.01 -1.26 -5.02 115.64 115.18 2jon s THR 2 Ca 0.00 0.88 -0.15 0.00 0.31 0.00 0.00 61.69 62.72 2jon s THR 2 Cb 0.00 -3.56 0.23 0.00 0.01 0.00 0.00 72.50 69.18 2jon s THR 2 CO 0.00 0.20 0.81 -0.81 -0.69 0.00 0.00 174.62 174.13 2jon n PRO 3 N 1.17 -2.61 -1.65 4.92 -0.04 -1.26 -4.91 135.00 130.61 2jon n PRO 3 Ca 0.01 -1.30 -0.47 0.00 -0.04 0.00 0.00 63.50 61.70 2jon n PRO 3 Cb 0.42 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2jon n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jon n THR 4 N -4.26 0.02 -1.03 0.52 -2.24 -1.26 -4.97 114.28 101.06 2jon n THR 4 Ca 0.11 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 2jon n THR 4 Cb 0.44 -1.41 0.24 0.00 -2.10 0.00 0.00 70.33 67.50 2jon n THR 4 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jon n PRO 5 N 3.38 -3.07 -1.09 -0.78 -0.04 -1.26 -4.98 135.00 127.16 2jon n PRO 5 Ca 0.17 -1.69 -0.35 0.00 -0.04 0.00 0.00 63.50 61.60 2jon n PRO 5 Cb 0.27 -1.58 0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2jon n PRO 5 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jon n THR 6 N -4.78 1.37 -0.72 0.52 -2.24 -1.26 -5.00 114.28 102.18 2jon n THR 6 Ca 0.15 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2jon n THR 6 Cb 0.57 -0.83 0.10 0.00 -2.10 0.00 0.00 70.33 68.07 2jon n THR 6 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jon n PRO 7 N -1.69 -1.91 -2.95 -0.78 -0.04 -1.26 -4.98 135.00 121.40 2jon n PRO 7 Ca 0.10 -0.72 -0.41 0.00 -0.04 0.00 0.00 63.50 62.43 2jon n PRO 7 Cb 0.51 -0.67 -0.05 0.00 -0.04 0.00 0.00 33.50 33.25 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 -4.02 4.20 1.23 0.54 -2.85 -1.26 -5.04 119.74 112.53 2jon s LYS 8 Ca 0.29 0.87 -0.15 0.00 -1.00 0.00 0.00 55.97 55.98 2jon s LYS 8 Cb -0.03 -3.63 0.30 0.00 -2.06 0.00 0.00 37.83 32.41 2jon s LYS 8 CO 0.22 -0.44 0.90 0.00 0.10 0.00 0.00 175.35 176.14 2jon n ALA 9 N 5.73 -3.43 -1.68 0.59 0.00 -1.26 -4.85 120.51 115.61 2jon n ALA 9 Ca 0.04 -1.33 -0.45 0.00 0.00 0.00 0.00 53.44 51.70 2jon n ALA 9 Cb 0.48 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 2jon n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jon n ALA 10 N -5.11 1.70 -1.71 0.00 0.00 -1.26 -4.80 120.51 109.33 2jon n ALA 10 Ca 0.03 0.34 -0.65 0.00 0.00 0.00 0.00 53.44 53.16 2jon n ALA 10 Cb 0.55 -2.51 -0.09 0.00 0.00 0.00 0.00 19.45 17.40 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 4.05 0.22 3.55 0.00 0.00 -1.26 -4.93 105.19 106.82 2jon n GLY 11 Ca 0.19 0.97 -0.08 0.00 0.00 0.00 0.00 46.02 47.10 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 2.67 -0.85 -0.13 1.61 0.01 -1.26 -4.63 113.70 111.12 2jon s SER 12 Ca 1.02 1.37 -0.04 0.00 1.31 0.00 0.00 55.95 59.61 2jon s SER 12 Cb -1.41 1.26 0.05 0.00 0.21 0.00 0.00 66.02 66.14 2jon s SER 12 CO 0.76 -0.23 0.11 0.26 0.41 0.00 0.00 173.24 174.55 2jon s TRP 13 N 1.62 0.05 -0.45 2.43 0.51 -1.25 -4.65 118.94 117.20 2jon s TRP 13 Ca -0.10 0.04 -0.26 0.00 -2.12 0.00 0.00 56.10 53.66 2jon s TRP 13 Cb -0.06 -0.53 0.03 0.00 -0.81 0.00 0.00 33.47 32.09 2jon s TRP 13 CO -0.18 -0.40 0.97 0.00 -0.51 0.00 0.00 176.95 176.82 2jon s VAL 15 N 3.85 0.00 -0.03 0.00 -7.23 -0.65 -4.88 120.40 111.46 2jon s VAL 15 Ca 0.39 -0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.24 2jon s VAL 15 Cb -0.10 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 2jon s VAL 15 CO 0.26 -0.01 1.47 -2.16 -0.31 0.00 0.00 175.10 174.35 2jon s PRO 16 N -2.31 4.24 -0.27 4.82 0.04 -1.18 -3.52 135.00 136.83 2jon s PRO 16 Ca -0.06 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 62.64 2jon s PRO 16 Cb -0.00 -3.70 -0.12 0.00 0.04 0.00 0.00 34.50 30.72 2jon s PRO 16 CO -0.00 -0.67 2.04 1.63 0.04 0.00 0.00 177.00 180.03 2jon n LYS 17 N 5.97 1.41 -2.05 4.56 5.02 -0.76 -4.83 118.16 127.48 2jon n LYS 17 Ca 0.14 0.45 -0.29 0.00 -2.02 0.00 0.00 58.31 56.59 2jon n LYS 17 Cb 0.43 -2.49 -0.05 0.00 -0.02 0.00 0.00 35.03 32.91 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 5.22 2.57 0.00 1.97 0.04 -1.26 -2.63 135.00 140.91 2jon s PRO 18 Ca 1.03 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2jon s PRO 18 Cb -0.83 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 28.81 2jon s PRO 18 CO 0.52 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2jon n GLY 19 N 6.58 0.79 3.51 0.56 0.00 -1.26 -5.15 105.19 110.22 2jon n GLY 19 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.47 1.61 0.31 -1.08 -4.76 118.33 112.93 2jon n VAL 20 Ca 0.00 -0.29 -0.48 0.00 -0.01 0.00 0.00 64.34 63.55 2jon n VAL 20 Cb 0.00 -0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 -4.37 2.16 -0.13 4.52 7.64 -1.26 -4.82 113.62 117.36 2jon n SER 21 Ca 0.06 0.30 -0.03 0.00 1.01 0.00 0.00 58.87 60.20 2jon n SER 21 Cb 0.54 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 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 10.62 -0.33 -0.33 6.43 9.92 -1.26 0.22 116.55 141.83 2jon n ASP 22 Ca 0.41 0.89 0.27 0.00 -0.53 0.00 0.00 54.79 55.83 2jon n ASP 22 Cb 0.27 -0.24 0.51 0.00 -0.64 0.00 0.00 41.12 41.02 2jon n ASP 22 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2jon h ASP 23 N 0.00 0.32 -0.08 -2.24 3.58 -1.96 0.58 116.42 116.62 2jon h ASP 23 Ca 0.05 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2jon h ASP 23 Cb 0.13 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jon h ASP 23 CO -0.29 -0.31 0.05 -0.61 -2.88 0.00 0.00 179.24 175.20 2jon h GLN 24 N 0.13 0.11 0.00 0.28 -0.00 0.24 -2.56 115.11 113.31 2jon h GLN 24 Ca 0.78 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 59.31 2jon h GLN 24 Cb 1.92 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 29.36 2jon h GLN 24 CO -0.72 0.09 -0.51 -0.07 0.00 0.00 0.00 178.83 177.62 2jon h LEU 25 N 0.10 0.00 0.00 -2.39 -0.00 0.52 -2.71 115.31 110.83 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2jon h LEU 25 CO -0.01 0.51 0.00 0.41 -0.00 0.00 0.00 178.44 179.35 2jon n THR 26 N -3.80 0.00 -0.01 0.22 -1.04 0.12 -2.44 114.28 107.33 2jon n THR 26 Ca -0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.79 2jon n THR 26 Cb 0.54 -0.82 -0.14 0.00 -1.82 0.00 0.00 70.33 68.10 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 -0.29 -0.55 0.28 3.41 0.00 -1.02 -4.06 105.19 102.96 2jon n GLY 27 Ca 0.08 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.03 0.24 -0.18 1.61 7.08 -1.64 -1.04 115.58 121.68 2jon h ASN 28 Ca -0.43 0.12 0.02 0.00 -3.08 0.00 0.00 56.30 52.93 2jon h ASN 28 Cb 2.00 0.11 -0.02 0.00 -2.08 0.00 0.00 38.32 38.34 2jon h ASN 28 CO 0.07 0.06 0.04 0.40 -2.08 0.00 0.00 177.43 175.92 2jon h ILE 29 N 0.41 0.93 -0.95 6.14 2.04 -1.74 0.12 117.51 124.47 2jon h ILE 29 Ca 0.44 -0.04 0.18 0.00 1.00 0.00 0.00 64.86 66.44 2jon h ILE 29 Cb 0.71 0.80 -0.10 0.00 -0.74 0.00 0.00 36.82 37.49 2jon h ILE 29 CO -0.44 0.02 0.54 0.78 0.00 0.00 0.00 178.15 179.04 2jon h ASN 30 N 0.12 0.66 0.08 1.72 4.21 -1.35 0.29 115.58 121.31 2jon h ASN 30 Ca 0.08 0.10 -0.00 0.00 1.21 0.00 0.00 56.30 57.69 2jon h ASN 30 Cb 0.06 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 2jon h ASN 30 CO -0.10 0.23 -0.04 0.22 -1.29 0.00 0.00 177.43 176.46 2jon h TYR 31 N 0.68 -0.10 -0.90 1.19 3.20 -0.99 -3.29 116.97 116.76 2jon h TYR 31 Ca 0.54 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.55 2jon h TYR 31 Cb 0.84 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.05 2jon h TYR 31 CO -0.04 0.46 0.51 0.00 -1.64 0.00 0.00 178.16 177.44 2jon h ALA 32 N -0.08 1.38 0.00 1.82 0.00 -0.23 0.43 119.26 122.59 2jon h ALA 32 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jon h ALA 32 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jon h ALA 32 CO 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2jon n SER 34 N -1.48 1.05 -0.07 0.00 2.88 0.15 -3.75 113.62 112.39 2jon n SER 34 Ca 0.00 -1.58 -0.09 0.00 -1.33 0.00 0.00 58.87 55.87 2jon n SER 34 Cb 0.01 -0.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.33 2jon n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jon n GLN 35 N -0.10 0.97 0.00 -1.46 1.13 0.24 -5.04 117.38 113.13 2jon n GLN 35 Ca 0.16 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 2jon n GLN 35 Cb 0.24 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.28 2jon n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jon n GLY 36 N 2.59 1.57 0.03 1.08 0.00 -1.24 -4.88 105.19 104.33 2jon n GLY 36 Ca -0.24 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.78 2jon n GLY 36 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jon n ILE 37 N 0.00 0.15 0.01 -0.61 3.06 -1.26 -4.13 119.36 116.58 2jon n ILE 37 Ca 0.00 -0.08 -0.02 0.00 -2.50 0.00 0.00 62.75 60.15 2jon n ILE 37 Cb 0.00 -0.30 -0.01 0.00 0.54 0.00 0.00 39.64 39.87 2jon n ILE 37 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2jon h ASP 38 N 0.00 -0.08 -3.24 9.51 1.82 -1.90 -3.43 116.42 119.10 2jon h ASP 38 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.11 2jon h ASP 38 Cb 0.57 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 2jon h ASP 38 CO 0.00 0.21 0.52 0.00 -1.61 0.00 0.00 179.24 178.37 2jon n GLY 40 N 3.15 1.96 0.00 0.00 0.00 -1.26 -4.81 105.19 104.23 2jon n GLY 40 Ca 0.08 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.10 1.61 -0.04 -1.26 -3.28 135.00 132.42 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 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.31 -2.70 0.52 -5.35 -1.25 -4.82 119.36 105.43 2jon n ILE 42 Ca 0.03 -0.17 -0.41 0.00 -0.27 0.00 0.00 62.75 61.93 2jon n ILE 42 Cb 0.02 -0.36 -0.04 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 -1.37 4.63 1.05 6.28 -0.21 -1.20 -4.63 119.66 124.21 2jon s GLN 43 Ca 0.07 1.47 -0.14 0.00 0.02 0.00 0.00 55.36 56.78 2jon s GLN 43 Cb 0.05 -3.40 0.21 0.00 1.00 0.00 0.00 33.01 30.88 2jon s GLN 43 CO 0.03 0.09 1.10 -1.25 -2.12 0.00 0.00 175.29 173.14 2jon s PRO 44 N 0.38 0.00 -0.02 2.91 0.04 -1.26 -5.03 135.00 132.02 2jon s PRO 44 Ca 0.49 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2jon s PRO 44 Cb -0.23 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2jon s PRO 44 CO 0.29 -2.99 -0.02 0.41 0.04 0.00 0.00 177.00 174.74 2jon n GLY 45 N -1.05 -0.03 0.00 0.56 0.00 -1.26 -5.05 105.19 98.36 2jon n GLY 45 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 3.34 1.25 0.07 -0.02 0.00 -1.26 -5.01 105.19 103.56 2jon n GLY 46 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.78 -0.07 4.61 0.00 -1.97 -3.34 119.26 117.71 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 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jon h ALA 47 CO 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 178.47 2jon h PHE 49 N 0.43 -1.08 -3.15 0.00 3.57 -1.96 -3.40 116.94 111.35 2jon h PHE 49 Ca 0.00 0.04 -0.60 0.00 3.53 0.00 0.00 57.97 60.93 2jon h PHE 49 Cb 0.82 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.95 2jon h PHE 49 CO 0.08 -0.46 -0.33 -1.21 -2.23 0.00 0.00 178.31 174.15 2jon s GLU 50 N -5.94 4.08 0.70 1.11 0.41 -1.26 -2.16 118.70 115.64 2jon s GLU 50 Ca -0.16 0.10 -0.13 0.00 -0.41 0.00 0.00 54.97 54.37 2jon s GLU 50 Cb 0.09 -3.36 0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2jon s GLU 50 CO 0.64 0.40 1.10 -1.25 -0.49 0.00 0.00 175.26 175.66 2jon s PRO 51 N -0.01 2.58 0.00 0.39 0.04 -1.26 -5.07 135.00 131.67 2jon s PRO 51 Ca 0.17 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.58 2jon s PRO 51 Cb -0.13 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2jon s PRO 51 CO 0.05 -1.41 -0.20 0.54 0.04 0.00 0.00 177.00 176.02 2jon s ASN 52 N -2.91 3.56 0.46 6.66 2.20 -0.92 -5.06 114.94 118.93 2jon s ASN 52 Ca 0.65 -0.40 0.07 0.00 -0.94 0.00 0.00 52.86 52.24 2jon s ASN 52 Cb -0.19 -0.55 0.00 0.00 -2.00 0.00 0.00 41.25 38.51 2jon s ASN 52 CO 0.47 0.30 0.43 0.42 -2.94 0.00 0.00 177.10 175.78 2jon s THR 53 N -0.77 2.38 0.02 0.54 -4.23 -1.26 -5.02 115.64 107.29 2jon s THR 53 Ca 0.12 -1.34 -0.26 0.00 -1.18 0.00 0.00 61.69 59.03 2jon s THR 53 Cb -0.10 -2.72 -0.17 0.00 1.34 0.00 0.00 72.50 70.85 2jon s THR 53 CO 0.02 0.00 1.30 0.58 -0.54 0.00 0.00 174.62 175.98 2jon h VAL 54 N 0.88 0.65 0.00 2.29 2.07 -1.96 -2.78 116.25 117.39 2jon h VAL 54 Ca -0.39 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2jon h VAL 54 Cb 1.28 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2jon h VAL 54 CO 0.56 0.09 0.00 2.29 0.02 0.00 0.00 177.57 180.53 2jon n LYS 55 N -5.17 0.99 -0.22 1.57 0.00 -1.26 -4.15 118.16 109.91 2jon n LYS 55 Ca -0.10 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.23 2jon n LYS 55 Cb 0.27 -1.36 0.14 0.00 -0.00 0.00 0.00 35.03 34.08 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 2.26 0.88 0.39 0.58 0.00 -1.87 -2.51 119.26 118.98 2jon h ALA 56 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jon h ALA 56 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jon h ALA 56 CO 0.00 -0.23 -0.51 0.45 0.00 0.00 0.00 179.25 178.96 2jon h HIS 57 N 0.38 -1.44 -0.86 0.00 3.86 -1.82 -2.35 115.15 112.92 2jon h HIS 57 Ca 0.35 0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.79 2jon h HIS 57 Cb 0.50 0.58 -0.15 0.00 1.06 0.00 0.00 27.41 29.40 2jon h HIS 57 CO -0.19 -0.65 0.01 0.00 0.86 0.00 0.00 177.93 177.97 2jon h ALA 58 N -0.81 0.94 -0.99 2.45 0.00 -1.78 0.63 119.26 119.69 2jon h ALA 58 Ca -0.05 0.28 0.21 0.00 0.00 0.00 0.00 54.91 55.35 2jon h ALA 58 Cb 0.84 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 2jon h ALA 58 CO -0.13 -0.47 0.62 0.00 0.00 0.00 0.00 179.25 179.27 2jon h ALA 59 N 1.82 1.88 0.27 0.00 0.00 -1.04 0.49 119.26 122.69 2jon h ALA 59 Ca 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2jon h ALA 59 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2jon h ALA 59 CO -0.77 -0.25 -0.13 -0.92 0.00 0.00 0.00 179.25 177.18 2jon h TYR 60 N 0.62 -0.34 -0.37 0.00 5.03 0.46 -3.21 116.97 119.16 2jon h TYR 60 Ca 0.56 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.97 2jon h TYR 60 Cb 1.07 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 2jon h TYR 60 CO -0.00 -0.21 0.36 -0.24 -1.32 0.00 0.00 178.16 176.75 2jon h VAL 61 N -0.60 0.48 -0.03 1.81 3.04 -1.17 -0.09 116.25 119.69 2jon h VAL 61 Ca -0.04 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2jon h VAL 61 Cb 0.28 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2jon h VAL 61 CO 0.06 0.00 0.39 0.24 -1.01 0.00 0.00 177.57 177.25 2jon h MET 62 N 0.00 0.00 0.08 4.17 2.86 -0.02 0.37 114.93 122.39 2jon h MET 62 Ca 0.18 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2jon h MET 62 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2jon h MET 62 CO -0.00 0.00 -0.04 -0.97 1.06 0.00 0.00 176.91 176.96 2jon h ASN 63 N 0.00 -0.09 -0.64 1.22 -1.24 -1.14 -2.60 115.58 111.09 2jon h ASN 63 Ca 0.01 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 2jon h ASN 63 Cb 0.80 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 2jon h ASN 63 CO -0.00 0.10 0.22 0.17 -1.29 0.00 0.00 177.43 176.63 2jon h LEU 64 N -0.44 0.91 -0.53 0.34 -0.00 -1.61 -2.22 115.31 111.76 2jon h LEU 64 Ca -0.01 -0.19 0.03 0.00 -0.00 0.00 0.00 57.88 57.70 2jon h LEU 64 Cb 0.08 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.47 2jon h LEU 64 CO 0.02 0.86 0.31 0.22 -0.00 0.00 0.00 178.44 179.85 2jon h TYR 65 N 0.91 0.59 -0.03 0.17 5.03 -0.45 1.09 116.97 124.27 2jon h TYR 65 Ca 0.21 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 2jon h TYR 65 Cb 0.26 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 2jon h TYR 65 CO 0.02 0.33 -0.24 -0.92 -1.32 0.00 0.00 178.16 176.02 2jon h TYR 66 N 0.62 0.05 -0.02 -3.82 5.03 -1.26 -2.02 116.97 115.56 2jon h TYR 66 Ca 0.22 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2jon h TYR 66 Cb 0.04 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2jon h TYR 66 CO -0.07 0.29 -0.30 1.04 -1.32 0.00 0.00 178.16 177.80 2jon n GLN 67 N -4.23 1.31 -0.08 1.82 6.02 -0.64 -1.35 117.38 120.23 2jon n GLN 67 Ca -0.02 -0.98 -0.12 0.00 -0.01 0.00 0.00 57.00 55.87 2jon n GLN 67 Cb 0.31 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 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 2.40 0.50 0.17 1.08 -0.00 0.20 -3.35 115.15 116.14 2jon h HIS 68 Ca 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 2jon h HIS 68 Cb 0.70 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 2jon h HIS 68 CO 0.00 0.69 -0.08 0.00 -0.00 0.00 0.00 177.93 178.54 2jon h ALA 69 N 0.74 -0.22 0.00 5.26 0.00 -1.74 -3.46 119.26 119.83 2jon h ALA 69 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jon h ALA 69 Cb 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jon h ALA 69 CO 0.02 -0.23 -0.02 0.41 0.00 0.00 0.00 179.25 179.44 2jon n GLY 70 N 1.05 -0.20 3.84 0.00 0.00 -1.25 -5.00 105.19 103.63 2jon n GLY 70 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.58 -4.01 1.61 1.74 -0.46 -4.98 116.66 105.99 2jon n ARG 71 Ca -0.02 0.55 -0.23 0.00 -0.77 0.00 0.00 57.85 57.39 2jon n ARG 71 Cb 0.19 -5.09 -0.06 0.00 -1.02 0.00 0.00 32.46 26.48 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 -4.06 4.82 0.41 0.55 0.01 -1.23 -4.69 114.94 110.76 2jon s ASN 72 Ca 0.20 -0.73 0.20 0.00 -0.71 0.00 0.00 52.86 51.83 2jon s ASN 72 Cb -0.10 -0.76 0.83 0.00 0.41 0.00 0.00 41.25 41.62 2jon s ASN 72 CO 0.84 -0.34 1.80 0.77 -1.51 0.00 0.00 177.10 178.66 2jon h SER 73 N 1.45 0.00 0.00 -1.22 4.64 -1.93 -2.40 113.55 114.08 2jon h SER 73 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.31 0.00 -2.67 -0.87 0.00 0.00 176.83 174.23 2jon n TRP 74 N -3.56 0.00 0.59 4.77 2.14 -1.26 -3.02 117.44 117.10 2jon n TRP 74 Ca -0.00 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.69 2jon n TRP 74 Cb 0.45 0.00 0.44 0.00 -0.81 0.00 0.00 31.31 31.39 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 -0.98 0.73 -4.43 -0.67 4.05 -0.91 -4.58 115.26 108.46 2jon n ASN 75 Ca 0.21 0.59 -0.44 0.00 0.45 0.00 0.00 54.58 55.39 2jon n ASN 75 Cb 0.09 -0.78 -0.05 0.00 1.23 0.00 0.00 39.78 40.28 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 6.88 1.97 0.00 0.00 9.92 -1.26 -4.80 116.55 129.26 2jon n ASP 77 Ca -0.06 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 2jon n ASP 77 Cb 0.45 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2jon n ASP 77 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jon n PHE 78 N -0.19 0.00 -3.90 1.24 3.01 -1.26 -5.01 117.46 111.35 2jon n PHE 78 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2jon n PHE 78 Cb 0.24 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.22 2jon n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2jon s SER 79 N -2.05 -0.01 0.00 4.37 0.15 -1.26 -4.62 113.70 110.28 2jon s SER 79 Ca 0.00 -0.39 0.09 0.00 0.70 0.00 0.00 55.95 56.35 2jon s SER 79 Cb 0.00 0.30 0.51 0.00 -1.71 0.00 0.00 66.02 65.12 2jon s SER 79 CO 0.00 -0.59 1.04 0.00 1.20 0.00 0.00 173.24 174.89 2jon n GLN 80 N -0.77 0.23 -0.12 5.44 3.00 -1.26 -2.58 117.38 121.33 2jon n GLN 80 Ca -0.01 0.07 -0.25 0.00 -0.01 0.00 0.00 57.00 56.80 2jon n GLN 80 Cb 0.59 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.23 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2jon n THR 81 N -1.09 1.53 0.93 5.09 -2.24 -1.26 -4.29 114.28 112.94 2jon n THR 81 Ca 0.06 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 2jon n THR 81 Cb 0.04 -1.97 0.01 0.00 -2.10 0.00 0.00 70.33 66.31 2jon n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jon n ALA 82 N -3.85 2.60 -2.30 6.98 0.00 -1.06 -1.84 120.51 121.05 2jon n ALA 82 Ca -0.43 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 52.70 2jon n ALA 82 Cb 0.77 -1.01 0.15 0.00 0.00 0.00 0.00 19.45 19.36 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 0.44 0.00 -2.09 0.00 5.66 -1.22 -3.44 114.28 113.63 2jon n THR 83 Ca 0.02 -1.29 -0.42 0.00 -3.05 0.00 0.00 64.05 59.32 2jon n THR 83 Cb 0.53 -1.17 -0.03 0.00 -1.55 0.00 0.00 70.33 68.11 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 0.39 1.09 1.43 -1.26 -1.64 118.68 123.07 2jon s LEU 84 Ca 0.69 2.47 0.08 0.00 -1.03 0.00 0.00 54.13 56.33 2jon s LEU 84 Cb -0.03 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2jon s LEU 84 CO 0.47 -0.68 0.37 0.28 0.23 0.00 0.00 176.35 177.01 2jon s THR 85 N 0.78 2.97 0.00 5.49 -1.32 0.76 -4.90 115.64 119.41 2jon s THR 85 Ca 0.64 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 2jon s THR 85 Cb -0.39 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 2jon s THR 85 CO 0.34 -0.06 0.00 -0.46 -2.21 0.00 0.00 174.62 172.23 2jon n ASN 86 N -1.52 -1.26 -3.99 8.08 6.94 -1.26 -3.74 115.26 118.51 2jon n ASN 86 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.29 2jon n ASN 86 Cb 0.61 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 38.11 2jon n ASN 86 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 2jon n THR 87 N -2.56 0.00 -1.48 5.53 5.66 -1.26 -4.46 114.28 115.71 2jon n THR 87 Ca 0.00 -0.08 -0.46 0.00 -3.05 0.00 0.00 64.05 60.46 2jon n THR 87 Cb 0.00 -0.21 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 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 1.55 2.02 0.00 1.09 4.05 -1.26 -4.77 115.26 117.94 2jon n ASN 88 Ca -0.00 0.18 0.07 0.00 0.45 0.00 0.00 54.58 55.29 2jon n ASN 88 Cb 0.58 -1.30 0.40 0.00 1.23 0.00 0.00 39.78 40.68 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 8.44 0.29 -1.48 1.20 -0.04 -1.26 -4.79 135.00 137.36 2jon n PRO 89 Ca 0.43 0.10 -0.50 0.00 -0.04 0.00 0.00 63.50 63.49 2jon n PRO 89 Cb 0.28 -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 -1.20 2.31 0.04 3.54 2.88 -1.26 -4.80 113.62 115.14 2jon n SER 90 Ca 0.08 0.44 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 2jon n SER 90 Cb 0.10 -1.29 0.03 0.00 -0.75 0.00 0.00 64.21 62.29 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 9.74 0.38 0.00 0.66 0.18 -1.25 -5.03 117.16 121.83 2jon n TYR 91 Ca 0.39 0.11 0.00 0.00 1.88 0.00 0.00 57.90 60.28 2jon n TYR 91 Cb 0.25 -0.54 0.00 0.00 -0.38 0.00 0.00 39.34 38.67 2jon n TYR 91 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jon n GLY 92 N 1.33 0.70 0.36 -7.48 0.00 -1.26 -4.98 105.19 93.86 2jon n GLY 92 Ca 0.01 0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 2.04 -1.48 4.61 0.00 -2.02 -3.37 119.26 121.04 2jon h ALA 93 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 2jon h ALA 93 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2jon h ALA 93 CO 0.00 -0.18 1.14 0.00 0.00 0.00 0.00 179.25 180.20 2jon s ASN 95 N 4.90 6.40 0.15 0.00 0.01 -1.26 -3.97 114.94 121.17 2jon s ASN 95 Ca 0.48 0.46 -0.09 0.00 -0.71 0.00 0.00 52.86 53.01 2jon s ASN 95 Cb -0.10 -2.06 -0.06 0.00 0.41 0.00 0.00 41.25 39.44 2jon s ASN 95 CO 0.20 0.38 0.45 -0.36 -1.51 0.00 0.00 177.10 176.26 2jon s PHE 96 N -1.09 3.51 -0.21 2.20 0.40 -1.26 -5.03 117.98 116.50 2jon s PHE 96 Ca 0.18 0.78 -0.29 0.00 -0.60 0.00 0.00 56.93 57.00 2jon s PHE 96 Cb -0.12 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 2jon s PHE 96 CO 0.07 0.42 1.60 -1.25 0.70 0.00 0.00 175.22 176.76 2jon s PRO 97 N -2.37 3.84 0.00 0.24 0.04 -1.26 -4.87 135.00 130.62 2jon s PRO 97 Ca 0.40 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.36 2jon s PRO 97 Cb -0.13 -4.02 0.29 0.00 0.04 0.00 0.00 34.50 30.68 2jon s PRO 97 CO 0.21 -1.24 1.26 -1.13 0.04 0.00 0.00 177.00 176.14 2jon n SER 98 N 8.29 1.24 0.00 6.66 3.41 -1.26 -3.88 113.62 128.07 2jon n SER 98 Ca 0.18 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2jon n SER 98 Cb 0.45 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 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 1.42 0.31 3.62 5.00 0.00 -1.26 -4.56 105.19 109.72 2jon n GLY 99 Ca 0.08 0.76 -0.39 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.00 6.38 0.00 1.61 0.15 -1.26 -4.95 113.70 111.63 2jon s SER 100 Ca 0.00 0.45 0.28 0.00 0.70 0.00 0.00 55.95 57.39 2jon s SER 100 Cb 0.00 -2.25 1.06 0.00 -1.71 0.00 0.00 66.02 63.12 2jon s SER 100 CO 0.00 -0.23 1.75 0.59 1.20 0.00 0.00 173.24 176.55