#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jon n THR 2 N 0.00 2.17 -2.14 0.00 5.66 -1.26 -4.87 114.28 113.84 2jon n THR 2 Ca 0.00 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 60.07 2jon n THR 2 Cb 0.00 -1.19 -0.03 0.00 -1.55 0.00 0.00 70.33 67.56 2jon n THR 2 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2jon s PRO 3 N -1.82 4.07 0.17 1.09 0.04 -1.26 -4.99 135.00 132.30 2jon s PRO 3 Ca 0.60 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 2jon s PRO 3 Cb -0.61 -3.95 -0.07 0.00 0.04 0.00 0.00 34.50 29.90 2jon s PRO 3 CO 0.59 -0.96 0.98 0.99 0.04 0.00 0.00 177.00 178.64 2jon s THR 4 N 4.29 4.23 -1.07 1.26 2.01 -1.26 -4.95 115.64 120.16 2jon s THR 4 Ca 0.68 2.00 -0.23 0.00 0.31 0.00 0.00 61.69 64.45 2jon s THR 4 Cb -0.28 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 67.88 2jon s THR 4 CO 0.26 0.38 1.94 -2.16 -0.69 0.00 0.00 174.62 174.35 2jon s PRO 5 N -0.53 2.53 0.07 4.92 0.04 -1.26 -4.89 135.00 135.87 2jon s PRO 5 Ca 0.45 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2jon s PRO 5 Cb -0.25 -5.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.08 2jon s PRO 5 CO 0.32 -3.73 -0.05 0.95 0.04 0.00 0.00 177.00 174.53 2jon s THR 6 N 10.61 0.43 0.49 1.26 -4.23 -1.26 -5.17 115.64 117.76 2jon s THR 6 Ca 0.69 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.25 2jon s THR 6 Cb -0.03 -1.59 0.12 0.00 1.34 0.00 0.00 72.50 72.34 2jon s THR 6 CO 0.07 -0.94 0.43 -0.81 -0.54 0.00 0.00 174.62 172.83 2jon n PRO 7 N 0.05 -1.86 -4.02 3.99 -0.04 -1.26 -5.07 135.00 126.79 2jon n PRO 7 Ca -0.13 -0.69 -0.25 0.00 -0.04 0.00 0.00 63.50 62.39 2jon n PRO 7 Cb 0.61 -0.65 -0.17 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 -3.98 1.38 0.57 0.54 -2.85 -1.26 -5.12 119.74 109.02 2jon s LYS 8 Ca 0.28 -0.22 -0.16 0.00 -1.00 0.00 0.00 55.97 54.87 2jon s LYS 8 Cb -0.03 -1.42 -0.05 0.00 -2.06 0.00 0.00 37.83 34.27 2jon s LYS 8 CO 0.21 -0.21 1.03 0.00 0.10 0.00 0.00 175.35 176.48 2jon s ALA 9 N 1.51 2.88 0.24 0.59 0.00 -1.26 -4.97 121.76 120.75 2jon s ALA 9 Ca 0.01 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 2jon s ALA 9 Cb -0.13 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2jon s ALA 9 CO -0.05 -0.59 1.58 0.00 0.00 0.00 0.00 175.76 176.70 2jon n ALA 10 N -1.92 2.09 0.00 0.00 0.00 -1.26 -4.56 120.51 114.85 2jon n ALA 10 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2jon n ALA 10 Cb 0.53 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 2.81 0.69 3.54 0.00 0.00 -1.26 -5.06 105.19 105.91 2jon n GLY 11 Ca 0.12 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -0.69 -0.18 1.61 0.01 -1.26 -4.67 113.70 108.52 2jon s SER 12 Ca 0.00 1.30 -0.04 0.00 1.31 0.00 0.00 55.95 58.52 2jon s SER 12 Cb 0.00 1.29 0.08 0.00 0.21 0.00 0.00 66.02 67.61 2jon s SER 12 CO 0.00 -0.22 0.23 0.26 0.41 0.00 0.00 173.24 173.92 2jon s TRP 13 N 0.54 -0.32 -0.50 2.43 0.51 -1.24 -4.62 118.94 115.74 2jon s TRP 13 Ca -0.02 0.44 -0.26 0.00 -2.12 0.00 0.00 56.10 54.15 2jon s TRP 13 Cb -0.05 -0.27 0.03 0.00 -0.81 0.00 0.00 33.47 32.38 2jon s TRP 13 CO -0.02 -0.52 1.01 0.00 -0.51 0.00 0.00 176.95 176.91 2jon s VAL 15 N 4.12 0.01 -0.04 0.00 -7.23 -0.55 -4.84 120.40 111.88 2jon s VAL 15 Ca 0.38 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 2jon s VAL 15 Cb -0.10 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2jon s VAL 15 CO 0.26 -0.05 1.48 -2.16 -0.31 0.00 0.00 175.10 174.31 2jon s PRO 16 N -2.23 4.24 -0.23 4.82 0.04 -1.16 -3.51 135.00 136.97 2jon s PRO 16 Ca -0.06 2.02 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 2jon s PRO 16 Cb -0.01 -3.73 -0.13 0.00 0.04 0.00 0.00 34.50 30.68 2jon s PRO 16 CO 0.00 -0.69 1.94 1.63 0.04 0.00 0.00 177.00 179.92 2jon n LYS 17 N 6.10 1.55 -2.06 4.56 4.01 -0.53 -4.82 118.16 126.97 2jon n LYS 17 Ca 0.15 0.54 -0.27 0.00 -0.51 0.00 0.00 58.31 58.21 2jon n LYS 17 Cb 0.43 -2.45 -0.05 0.00 -0.51 0.00 0.00 35.03 32.45 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 4.60 2.54 0.00 1.97 0.04 -1.26 -2.63 135.00 140.25 2jon s PRO 18 Ca 0.99 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2jon s PRO 18 Cb -0.84 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 28.57 2jon s PRO 18 CO 0.55 -3.57 0.00 0.41 0.04 0.00 0.00 177.00 174.43 2jon n GLY 19 N 6.51 0.62 3.43 0.56 0.00 -1.26 -5.15 105.19 109.89 2jon n GLY 19 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 2jon n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jon n VAL 20 N 0.00 0.00 -1.66 1.61 0.31 -1.08 -4.80 118.33 112.71 2jon n VAL 20 Ca 0.00 -0.47 -0.51 0.00 -0.01 0.00 0.00 64.34 63.35 2jon n VAL 20 Cb 0.00 -0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 2jon n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jon n SER 21 N -4.68 3.02 -0.11 4.52 7.64 -1.26 -4.87 113.62 117.88 2jon n SER 21 Ca 0.02 0.90 -0.05 0.00 1.01 0.00 0.00 58.87 60.75 2jon n SER 21 Cb 0.55 -1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 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 9.36 -0.80 -1.00 6.43 3.32 -1.98 0.25 116.42 132.01 2jon h ASP 22 Ca -0.45 0.11 0.38 0.00 0.02 0.00 0.00 57.03 57.10 2jon h ASP 22 Cb 1.29 0.34 -0.17 0.00 0.22 0.00 0.00 39.33 41.01 2jon h ASP 22 CO 0.96 -0.13 0.50 0.44 -1.72 0.00 0.00 179.24 179.30 2jon h ASP 23 N -0.08 0.30 -0.06 6.45 3.32 -1.98 0.59 116.42 124.96 2jon h ASP 23 Ca 0.05 0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.36 2jon h ASP 23 Cb 0.20 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2jon h ASP 23 CO -0.30 -0.36 -0.04 -0.61 -1.72 0.00 0.00 179.24 176.21 2jon h GLN 24 N 0.08 -0.05 -0.03 3.56 4.15 -0.88 -1.24 115.11 120.70 2jon h GLN 24 Ca 0.80 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 60.09 2jon h GLN 24 Cb 2.01 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.70 2jon h GLN 24 CO -0.74 -0.03 -0.56 -0.07 -1.93 0.00 0.00 178.83 175.49 2jon h LEU 25 N -0.05 0.12 -1.53 -2.39 -0.00 0.59 -2.95 115.31 109.09 2jon h LEU 25 Ca 0.04 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.81 2jon h LEU 25 Cb 0.11 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2jon h LEU 25 CO -0.09 0.66 -0.23 0.74 -0.00 0.00 0.00 178.44 179.51 2jon h THR 26 N 0.08 1.17 0.00 0.22 2.02 -0.02 -2.18 112.91 114.20 2jon h THR 26 Ca -0.00 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2jon h THR 26 Cb 1.02 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2jon h THR 26 CO 0.08 0.23 -0.09 1.23 0.37 0.00 0.00 175.52 177.33 2jon h GLY 27 N 0.70 0.00 0.82 2.16 0.00 -1.06 -3.14 103.07 102.56 2jon h GLY 27 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2jon h GLY 27 CO 0.03 0.00 -0.34 3.43 0.00 0.00 0.00 176.54 179.66 2jon h ASN 28 N 0.00 -0.81 -0.72 0.19 2.35 -1.51 -2.87 115.58 112.21 2jon h ASN 28 Ca -0.00 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.91 2jon h ASN 28 Cb 0.36 0.21 -0.12 0.00 0.05 0.00 0.00 38.32 38.81 2jon h ASN 28 CO 0.01 -0.47 -0.00 0.40 -1.65 0.00 0.00 177.43 175.72 2jon h ILE 29 N -1.15 0.38 -0.76 2.81 2.04 -1.67 0.32 117.51 119.49 2jon h ILE 29 Ca -0.10 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.87 2jon h ILE 29 Cb 0.76 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 2jon h ILE 29 CO 0.16 0.02 0.31 0.78 0.00 0.00 0.00 178.15 179.42 2jon h ASN 30 N 0.10 0.30 0.20 1.72 2.35 -1.56 0.26 115.58 118.95 2jon h ASN 30 Ca 0.39 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.23 2jon h ASN 30 Cb 0.67 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2jon h ASN 30 CO -0.63 0.12 -0.09 0.22 -1.65 0.00 0.00 177.43 175.39 2jon h TYR 31 N 0.46 -0.25 -0.85 1.19 3.20 -0.52 -3.31 116.97 116.90 2jon h TYR 31 Ca 0.41 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.48 2jon h TYR 31 Cb 0.62 0.08 -0.12 0.00 1.54 0.00 0.00 36.73 38.84 2jon h TYR 31 CO -0.16 0.09 0.31 0.00 -1.64 0.00 0.00 178.16 176.76 2jon h ALA 32 N -0.63 1.28 -0.91 1.82 0.00 -0.26 0.47 119.26 121.04 2jon h ALA 32 Ca -0.03 0.18 0.26 0.00 0.00 0.00 0.00 54.91 55.32 2jon h ALA 32 Cb 0.45 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2jon h ALA 32 CO 0.04 -0.36 0.74 0.00 0.00 0.00 0.00 179.25 179.68 2jon n SER 34 N -3.96 0.91 -0.12 0.00 7.64 0.17 -3.59 113.62 114.66 2jon n SER 34 Ca 0.19 -2.04 -0.25 0.00 1.01 0.00 0.00 58.87 57.78 2jon n SER 34 Cb 1.05 -0.32 -0.11 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.11 0.61 0.00 1.43 0.00 0.36 -5.07 117.38 114.61 2jon n GLN 35 Ca 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 2jon n GLN 35 Cb 0.21 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 28.90 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 1.58 2.79 0.26 1.69 0.00 -1.24 -4.87 105.19 105.41 2jon n GLY 36 Ca -0.48 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 0.18 -0.07 -0.61 -0.00 -1.26 -3.90 119.36 113.70 2jon n ILE 37 Ca 0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 62.75 62.50 2jon n ILE 37 Cb 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 39.64 39.61 2jon n ILE 37 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2jon h ASP 38 N 0.67 0.00 -2.91 7.28 1.82 -1.86 -3.41 116.42 118.00 2jon h ASP 38 Ca 0.00 -0.22 -0.57 0.00 -0.39 0.00 0.00 57.03 55.85 2jon h ASP 38 Cb 0.21 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 2jon h ASP 38 CO 0.01 0.90 0.89 0.00 -1.61 0.00 0.00 179.24 179.43 2jon n GLY 40 N 3.61 2.26 0.00 0.00 0.00 -1.26 -4.83 105.19 104.97 2jon n GLY 40 Ca 0.14 -0.75 0.07 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 -0.13 1.61 -0.04 -1.25 -3.05 135.00 132.62 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 -1.44 0.06 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.94 0.39 -3.10 0.52 -5.35 -1.24 -4.76 119.36 104.89 2jon n ILE 42 Ca 0.10 -0.21 -0.39 0.00 -0.27 0.00 0.00 62.75 61.98 2jon n ILE 42 Cb 0.05 -0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 37.54 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 -1.39 4.40 1.11 6.28 -0.21 -1.17 -4.63 119.66 124.05 2jon s GLN 43 Ca 0.09 0.91 -0.16 0.00 0.02 0.00 0.00 55.36 56.22 2jon s GLN 43 Cb 0.06 -3.33 0.24 0.00 1.00 0.00 0.00 33.01 30.98 2jon s GLN 43 CO 0.03 0.38 1.10 -1.25 -2.12 0.00 0.00 175.29 173.43 2jon s PRO 44 N -0.30 -0.51 0.00 2.91 0.04 -1.26 -5.03 135.00 130.85 2jon s PRO 44 Ca 0.34 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2jon s PRO 44 Cb -0.20 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2jon s PRO 44 CO 0.21 -3.29 0.00 0.41 0.04 0.00 0.00 177.00 174.37 2jon n GLY 45 N -1.01 0.00 0.00 0.56 0.00 -1.26 -5.05 105.19 98.43 2jon n GLY 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.48 1.69 0.07 -0.02 0.00 -1.26 -5.02 105.19 103.13 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 -0.92 -0.00 4.61 0.00 -1.96 -3.38 119.26 117.60 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 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jon h ALA 47 CO 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 179.25 178.31 2jon n PHE 49 N -0.13 0.17 -3.71 0.00 7.35 -1.26 -4.02 117.46 115.86 2jon n PHE 49 Ca 0.01 1.01 -0.35 0.00 -0.76 0.00 0.00 57.45 57.36 2jon n PHE 49 Cb 0.06 -0.90 -0.08 0.00 0.35 0.00 0.00 39.48 38.91 2jon n PHE 49 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jon s GLU 50 N -5.92 4.18 0.49 -4.13 0.41 -1.26 -0.69 118.70 111.79 2jon s GLU 50 Ca -0.12 -0.20 -0.22 0.00 -0.41 0.00 0.00 54.97 54.03 2jon s GLU 50 Cb 0.20 -3.43 -0.07 0.00 -1.78 0.00 0.00 34.13 29.05 2jon s GLU 50 CO 0.62 0.27 1.15 -1.25 -0.49 0.00 0.00 175.26 175.56 2jon s PRO 51 N 0.43 3.60 -0.15 0.39 0.04 -1.26 -5.05 135.00 133.00 2jon s PRO 51 Ca 0.09 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2jon s PRO 51 Cb -0.11 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2jon s PRO 51 CO -0.01 -0.67 0.05 0.54 0.04 0.00 0.00 177.00 176.96 2jon s ASN 52 N -1.53 5.61 0.48 6.66 2.20 0.14 -5.05 114.94 123.45 2jon s ASN 52 Ca 0.67 0.14 0.01 0.00 -0.94 0.00 0.00 52.86 52.74 2jon s ASN 52 Cb -0.27 -1.87 0.01 0.00 -2.00 0.00 0.00 41.25 37.13 2jon s ASN 52 CO 0.31 0.25 0.70 0.42 -2.94 0.00 0.00 177.10 175.84 2jon s THR 53 N -0.09 3.54 0.01 0.54 -4.23 -1.26 -5.02 115.64 109.14 2jon s THR 53 Ca 0.06 -0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 59.75 2jon s THR 53 Cb -0.12 -3.31 -0.16 0.00 1.34 0.00 0.00 72.50 70.25 2jon s THR 53 CO 0.01 -0.21 1.21 0.58 -0.54 0.00 0.00 174.62 175.67 2jon h VAL 54 N 0.30 0.48 -0.00 2.29 2.07 -1.98 -2.89 116.25 116.52 2jon h VAL 54 Ca -0.45 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2jon h VAL 54 Cb 1.27 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2jon h VAL 54 CO 0.55 0.07 0.00 2.29 0.02 0.00 0.00 177.57 180.51 2jon n LYS 55 N -5.22 1.01 -0.28 1.57 0.00 -1.26 -4.14 118.16 109.83 2jon n LYS 55 Ca -0.10 -0.01 0.08 0.00 -0.00 0.00 0.00 58.31 58.28 2jon n LYS 55 Cb 0.29 -1.25 0.24 0.00 -0.00 0.00 0.00 35.03 34.31 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 2.51 1.24 -0.26 0.58 0.00 -1.88 -1.27 119.26 120.18 2jon h ALA 56 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2jon h ALA 56 Cb 0.25 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2jon h ALA 56 CO 0.00 -0.23 -0.20 0.45 0.00 0.00 0.00 179.25 179.27 2jon h HIS 57 N 0.47 -0.52 -0.77 0.00 3.86 -1.82 -1.31 115.15 115.05 2jon h HIS 57 Ca 0.48 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.81 2jon h HIS 57 Cb 0.78 0.27 -0.07 0.00 1.06 0.00 0.00 27.41 29.45 2jon h HIS 57 CO -0.14 -0.28 0.43 0.00 0.86 0.00 0.00 177.93 178.80 2jon h ALA 58 N 0.94 1.08 -0.72 2.45 0.00 -1.57 -0.78 119.26 120.66 2jon h ALA 58 Ca 0.14 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2jon h ALA 58 Cb 0.41 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2jon h ALA 58 CO -0.37 0.06 0.47 0.00 0.00 0.00 0.00 179.25 179.41 2jon h ALA 59 N 1.43 1.80 0.31 0.00 0.00 -0.84 0.27 119.26 122.24 2jon h ALA 59 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2jon h ALA 59 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jon h ALA 59 CO -0.24 0.06 -0.15 -0.92 0.00 0.00 0.00 179.25 178.00 2jon h TYR 60 N 0.66 -0.39 -0.66 0.00 5.03 -0.51 -3.25 116.97 117.85 2jon h TYR 60 Ca 0.32 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.74 2jon h TYR 60 Cb 0.40 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 2jon h TYR 60 CO -0.00 -0.24 0.44 -0.24 -1.32 0.00 0.00 178.16 176.80 2jon h VAL 61 N -0.64 0.85 -1.05 1.81 3.04 -1.35 -0.98 116.25 117.93 2jon h VAL 61 Ca -0.04 -0.13 0.31 0.00 -1.01 0.00 0.00 66.70 65.82 2jon h VAL 61 Cb 0.32 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 29.98 2jon h VAL 61 CO 0.07 0.07 0.94 0.24 -1.01 0.00 0.00 177.57 177.88 2jon h MET 62 N 0.39 0.00 0.67 4.17 2.86 -0.49 0.44 114.93 122.97 2jon h MET 62 Ca 0.31 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.92 2jon h MET 62 Cb 0.68 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2jon h MET 62 CO -0.09 0.00 -0.32 -0.97 1.06 0.00 0.00 176.91 176.59 2jon h ASN 63 N 0.00 -0.76 -0.06 1.22 -1.24 -1.28 -2.51 115.58 110.94 2jon h ASN 63 Ca 0.50 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.50 2jon h ASN 63 Cb 2.37 0.20 0.00 0.00 0.73 0.00 0.00 38.32 41.62 2jon h ASN 63 CO -0.01 -0.40 -0.12 0.17 -1.29 0.00 0.00 177.43 175.78 2jon h LEU 64 N -1.19 0.21 -0.77 0.34 -0.00 -1.24 -3.12 115.31 109.55 2jon h LEU 64 Ca -0.09 -0.56 0.17 0.00 -0.00 0.00 0.00 57.88 57.40 2jon h LEU 64 Cb 0.69 -0.06 -0.14 0.00 -0.00 0.00 0.00 40.66 41.15 2jon h LEU 64 CO 0.15 0.74 -0.05 0.22 -0.00 0.00 0.00 178.44 179.50 2jon h TYR 65 N -0.30 -0.15 -0.16 0.17 5.03 -0.34 2.03 116.97 123.24 2jon h TYR 65 Ca 0.00 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 2jon h TYR 65 Cb 0.70 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 2jon h TYR 65 CO 0.11 -0.28 -0.02 -0.92 -1.32 0.00 0.00 178.16 175.74 2jon h TYR 66 N 0.07 0.23 -0.01 -3.82 5.03 -1.48 -1.43 116.97 115.56 2jon h TYR 66 Ca 0.41 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.71 2jon h TYR 66 Cb 0.71 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2jon h TYR 66 CO -0.48 0.26 -0.36 1.04 -1.32 0.00 0.00 178.16 177.30 2jon n GLN 67 N -4.38 1.09 -0.06 1.82 6.02 0.24 -1.13 117.38 120.98 2jon n GLN 67 Ca -0.01 -0.81 -0.14 0.00 -0.01 0.00 0.00 57.00 56.03 2jon n GLN 67 Cb 0.18 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 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 0.79 0.17 1.08 -0.00 0.40 -3.37 115.15 116.20 2jon h HIS 68 Ca 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 2jon h HIS 68 Cb 0.65 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2jon h HIS 68 CO 0.00 1.04 -0.08 0.00 -0.00 0.00 0.00 177.93 178.89 2jon h ALA 69 N 0.61 -0.24 0.00 5.26 0.00 -1.72 -3.46 119.26 119.70 2jon h ALA 69 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jon h ALA 69 Cb 0.99 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2jon h ALA 69 CO 0.09 -0.22 -0.03 0.41 0.00 0.00 0.00 179.25 179.49 2jon n GLY 70 N 1.18 0.19 3.92 0.00 0.00 -1.26 -5.00 105.19 104.22 2jon n GLY 70 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.88 -3.89 1.61 1.74 -0.28 -4.97 116.66 105.99 2jon n ARG 71 Ca -0.03 0.55 -0.22 0.00 -0.77 0.00 0.00 57.85 57.38 2jon n ARG 71 Cb 0.24 -5.28 -0.05 0.00 -1.02 0.00 0.00 32.46 26.36 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 -3.64 4.91 0.42 0.55 0.01 -1.23 -4.96 114.94 111.00 2jon s ASN 72 Ca 0.47 -0.73 0.22 0.00 -0.71 0.00 0.00 52.86 52.11 2jon s ASN 72 Cb -0.24 -0.72 0.87 0.00 0.41 0.00 0.00 41.25 41.56 2jon s ASN 72 CO 0.85 -0.44 1.81 0.77 -1.51 0.00 0.00 177.10 178.58 2jon h SER 73 N 1.32 0.00 0.10 -1.22 4.64 -1.93 -2.43 113.55 114.03 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 0.61 0.27 0.00 -2.67 -0.87 0.00 0.00 176.83 174.18 2jon n TRP 74 N -3.48 0.00 0.23 4.77 2.14 -1.26 -3.15 117.44 116.69 2jon n TRP 74 Ca -0.00 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.69 2jon n TRP 74 Cb 0.44 -0.06 0.42 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 0.00 0.00 -2.71 -0.67 -0.00 -1.75 -3.41 115.58 107.04 2jon h ASN 75 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.73 2jon h ASN 75 Cb 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 38.32 38.27 2jon h ASN 75 CO 0.00 0.14 0.85 0.00 -0.00 0.00 0.00 177.43 178.43 2jon n ASP 77 N 8.54 1.89 0.00 0.00 8.00 -1.26 -4.80 116.55 128.91 2jon n ASP 77 Ca 0.02 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.80 2jon n ASP 77 Cb 0.48 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 -0.15 0.00 -3.91 1.24 3.01 -1.26 -5.01 117.46 111.38 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 0.22 -0.43 0.01 0.00 -0.01 0.00 0.00 39.48 39.27 2jon n PHE 78 CO 0.00 0.00 0.00 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 -4.81 113.70 110.09 2jon s SER 79 Ca 0.00 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.41 2jon s SER 79 Cb 0.00 0.25 0.45 0.00 -1.71 0.00 0.00 66.02 65.01 2jon s SER 79 CO 0.00 -0.49 1.03 1.67 1.20 0.00 0.00 173.24 176.66 2jon n GLN 80 N -0.79 0.19 -0.12 5.44 7.27 -1.26 -2.41 117.38 125.70 2jon n GLN 80 Ca 0.00 0.10 -0.25 0.00 0.07 0.00 0.00 57.00 56.92 2jon n GLN 80 Cb 0.59 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.63 2jon n GLN 80 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jon n THR 81 N -1.14 1.54 0.90 1.69 -2.24 -1.26 -4.32 114.28 109.45 2jon n THR 81 Ca 0.05 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2jon n THR 81 Cb 0.05 -1.77 0.01 0.00 -2.10 0.00 0.00 70.33 66.52 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 -3.79 2.61 -2.05 6.98 0.00 -1.01 -1.46 120.51 121.78 2jon n ALA 82 Ca -0.48 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 52.66 2jon n ALA 82 Cb 0.90 -1.01 0.15 0.00 0.00 0.00 0.00 19.45 19.48 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 0.21 0.00 -2.09 0.00 5.66 -1.18 -3.18 114.28 113.69 2jon n THR 83 Ca 0.02 -1.00 -0.41 0.00 -3.05 0.00 0.00 64.05 59.61 2jon n THR 83 Cb 0.41 -1.37 -0.03 0.00 -1.55 0.00 0.00 70.33 67.80 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 4.40 0.40 1.09 1.43 -1.26 -1.48 118.68 123.26 2jon s LEU 84 Ca 0.60 2.57 0.08 0.00 -1.03 0.00 0.00 54.13 56.35 2jon s LEU 84 Cb -0.02 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2jon s LEU 84 CO 0.42 -0.64 0.38 0.28 0.23 0.00 0.00 176.35 177.02 2jon s THR 85 N 0.01 2.85 0.00 5.49 -1.32 0.22 -4.86 115.64 118.04 2jon s THR 85 Ca 0.58 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 2jon s THR 85 Cb -0.40 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 2jon s THR 85 CO 0.42 -0.03 0.00 0.59 -2.21 0.00 0.00 174.62 173.38 2jon n ASN 86 N -1.54 -1.21 -3.92 8.08 3.02 -1.26 -3.66 115.26 114.77 2jon n ASN 86 Ca 0.03 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.33 2jon n ASN 86 Cb 0.61 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.49 0.00 -1.49 3.41 -2.24 -1.26 -4.47 114.28 105.74 2jon n THR 87 Ca 0.00 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 2jon n THR 87 Cb 0.00 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.10 1.98 0.09 3.42 4.05 -1.26 -4.78 115.26 119.86 2jon n ASN 88 Ca 0.01 0.15 0.10 0.00 0.45 0.00 0.00 54.58 55.29 2jon n ASN 88 Cb 0.49 -1.31 0.43 0.00 1.23 0.00 0.00 39.78 40.63 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 8.47 0.13 -1.49 1.20 -0.04 -1.26 -4.76 135.00 137.26 2jon n PRO 89 Ca 0.43 0.38 -0.44 0.00 -0.04 0.00 0.00 63.50 63.82 2jon n PRO 89 Cb 0.29 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 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 -2.01 1.93 0.14 3.54 2.88 -1.26 -4.77 113.62 114.06 2jon n SER 90 Ca 0.02 0.10 0.13 0.00 -1.33 0.00 0.00 58.87 57.79 2jon n SER 90 Cb 0.21 -1.31 0.29 0.00 -0.75 0.00 0.00 64.21 62.65 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 14.48 0.00 0.00 0.66 -0.00 -1.86 -3.49 116.97 126.76 2jon h TYR 91 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.50 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 1.24 -0.42 0.37 0.10 0.00 -1.26 -4.98 105.19 100.24 2jon n GLY 92 Ca 0.05 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.69 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 1.31 -1.48 4.61 0.00 -2.02 -3.38 119.26 118.31 2jon h ALA 93 Ca 0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 2jon h ALA 93 Cb 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.36 2jon h ALA 93 CO 0.00 0.62 1.14 0.00 0.00 0.00 0.00 179.25 181.01 2jon s ASN 95 N 4.99 6.28 0.03 0.00 4.22 -1.26 -3.82 114.94 125.38 2jon s ASN 95 Ca 0.49 0.42 -0.14 0.00 -2.14 0.00 0.00 52.86 51.49 2jon s ASN 95 Cb -0.10 -2.02 -0.06 0.00 1.28 0.00 0.00 41.25 40.35 2jon s ASN 95 CO 0.20 0.39 0.43 -0.36 -2.04 0.00 0.00 177.10 175.72 2jon s PHE 96 N -0.91 3.70 0.09 1.54 0.40 -1.26 -4.99 117.98 116.55 2jon s PHE 96 Ca 0.14 0.98 -0.31 0.00 -0.60 0.00 0.00 56.93 57.15 2jon s PHE 96 Cb -0.12 -2.28 -0.07 0.00 0.51 0.00 0.00 43.02 41.05 2jon s PHE 96 CO 0.03 0.61 1.38 -1.25 0.70 0.00 0.00 175.22 176.69 2jon s PRO 97 N -1.28 4.32 0.00 0.24 0.04 -1.26 -4.91 135.00 132.15 2jon s PRO 97 Ca 0.26 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.44 2jon s PRO 97 Cb -0.16 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2jon s PRO 97 CO 0.15 -0.45 0.60 -1.13 0.04 0.00 0.00 177.00 176.21 2jon n SER 98 N 4.24 1.04 -4.01 6.66 3.41 -1.26 -3.67 113.62 120.03 2jon n SER 98 Ca 0.12 -1.02 -0.29 0.00 -0.26 0.00 0.00 58.87 57.42 2jon n SER 98 Cb 0.43 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 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 1.04 -0.31 3.45 5.00 0.00 -1.26 -4.63 105.19 108.48 2jon n GLY 99 Ca 0.04 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2jon n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jon s SER 100 N -3.98 -0.69 0.00 1.61 1.04 -1.26 -4.45 113.70 105.96 2jon s SER 100 Ca 0.26 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2jon s SER 100 Cb -0.14 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.39 2jon s SER 100 CO 0.89 -0.22 0.00 -3.20 0.98 0.00 0.00 173.24 171.69