#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpl n SER 205 N 0.00 2.20 0.00 1.61 7.64 -1.26 -3.47 113.62 120.34 1jpl n SER 205 Ca 0.00 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1jpl n SER 205 Cb 0.00 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1jpl n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jpl n ALA 2 N 2.73 0.00 -3.23 -0.43 0.00 -1.26 -2.21 120.51 116.12 1jpl n ALA 2 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1jpl n ALA 2 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 1jpl n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jpl n GLU 3 N 0.00 0.94 0.08 0.00 2.13 -1.23 -4.95 120.64 117.62 1jpl n GLU 3 Ca 0.00 -1.35 0.10 0.00 0.66 0.00 0.00 57.16 56.57 1jpl n GLU 3 Cb 0.00 -0.02 0.56 0.00 0.27 0.00 0.00 31.44 32.25 1jpl n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jpl h ALA 4 N 0.46 2.00 -0.54 4.31 0.00 -1.95 -1.84 119.26 121.71 1jpl h ALA 4 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jpl h ALA 4 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jpl h ALA 4 CO 0.18 -0.06 0.24 1.49 0.00 0.00 0.00 179.25 181.11 1jpl h GLU 5 N 0.23 0.79 -0.34 0.00 4.57 -1.95 -0.78 114.58 117.09 1jpl h GLU 5 Ca 0.13 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1jpl h GLU 5 Cb 0.24 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1jpl h GLU 5 CO -0.02 0.67 -0.32 0.78 -1.18 0.00 0.00 179.01 178.93 1jpl h GLY 6 N 0.72 0.89 1.00 1.92 0.00 -0.88 -2.38 103.07 104.34 1jpl h GLY 6 Ca 0.18 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1jpl h GLY 6 CO -0.02 0.81 0.36 0.83 0.00 0.00 0.00 176.54 178.52 1jpl h GLU 7 N 0.60 0.83 -0.16 4.80 5.08 -1.24 -2.08 114.58 122.41 1jpl h GLU 7 Ca 0.06 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1jpl h GLU 7 Cb 0.90 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1jpl h GLU 7 CO 0.08 0.61 0.05 1.03 -1.00 0.00 0.00 179.01 179.77 1jpl h SER 8 N 0.83 0.23 -0.91 1.42 0.87 -1.09 -1.23 113.55 113.68 1jpl h SER 8 Ca 0.22 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jpl h SER 8 Cb -0.01 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1jpl h SER 8 CO -0.04 0.38 0.57 -0.07 -0.53 0.00 0.00 176.83 177.15 1jpl h LEU 9 N 0.07 1.06 -0.94 2.23 3.38 -1.34 -2.18 115.31 117.61 1jpl h LEU 9 Ca 0.05 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jpl h LEU 9 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jpl h LEU 9 CO -0.00 0.80 -0.46 -0.08 0.09 0.00 0.00 178.44 178.79 1jpl h GLU 10 N 1.24 0.16 -0.70 1.13 4.57 -1.25 -1.21 114.58 118.52 1jpl h GLU 10 Ca 0.33 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1jpl h GLU 10 Cb -0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1jpl h GLU 10 CO -0.07 0.59 0.27 1.03 -1.18 0.00 0.00 179.01 179.65 1jpl h SER 11 N 0.13 0.98 0.12 1.04 0.87 -0.62 0.12 113.55 116.19 1jpl h SER 11 Ca 0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1jpl h SER 11 Cb 0.86 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1jpl h SER 11 CO 0.07 0.90 -0.06 -0.50 -0.53 0.00 0.00 176.83 176.71 1jpl h TRP 12 N 1.01 -0.15 -1.00 2.24 4.06 -1.14 -2.80 115.95 118.18 1jpl h TRP 12 Ca 0.23 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.41 1jpl h TRP 12 Cb 0.23 0.05 -0.10 0.00 -1.00 0.00 0.00 29.16 28.34 1jpl h TRP 12 CO 0.02 0.20 0.63 1.25 -3.56 0.00 0.00 178.44 176.98 1jpl h LEU 13 N -0.51 0.58 0.14 -4.49 5.85 -1.00 0.99 115.31 116.87 1jpl h LEU 13 Ca -0.02 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1jpl h LEU 13 Cb 0.41 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1jpl h LEU 13 CO 0.03 0.16 -0.26 0.78 -0.34 0.00 0.00 178.44 178.81 1jpl h ASN 14 N 0.54 -0.73 -0.65 1.25 4.21 -0.53 0.81 115.58 120.48 1jpl h ASN 14 Ca 0.58 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 58.16 1jpl h ASN 14 Cb 1.22 0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 38.66 1jpl h ASN 14 CO -0.33 -0.35 0.36 0.11 -1.29 0.00 0.00 177.43 175.92 1jpl h LYS 15 N -0.48 0.90 0.00 0.81 1.57 -0.69 0.12 116.57 118.79 1jpl h LYS 15 Ca 0.02 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jpl h LYS 15 Cb 0.50 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1jpl h LYS 15 CO -0.13 0.67 -0.02 0.00 -0.57 0.00 0.00 179.45 179.40 1jpl h ALA 16 N 1.18 1.02 0.00 3.86 0.00 -0.54 -3.16 119.26 121.61 1jpl h ALA 16 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jpl h ALA 16 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jpl h ALA 16 CO -0.04 0.02 -0.14 0.25 0.00 0.00 0.00 179.25 179.35 1jpl n THR 17 N -3.14 1.23 -1.68 0.00 -2.24 0.25 -4.72 114.28 103.98 1jpl n THR 17 Ca -0.00 -1.46 -0.46 0.00 -2.27 0.00 0.00 64.05 59.85 1jpl n THR 17 Cb 0.25 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1jpl n THR 17 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jpl n ASN 18 N -0.91 3.68 0.26 3.42 4.05 0.36 -4.45 115.26 121.67 1jpl n ASN 18 Ca 0.10 0.95 0.18 0.00 0.45 0.00 0.00 54.58 56.26 1jpl n ASN 18 Cb 0.62 -1.42 0.91 0.00 1.23 0.00 0.00 39.78 41.12 1jpl n ASN 18 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1jpl h PRO 19 N 9.67 0.00 -0.31 1.20 0.11 -1.92 -1.51 132.00 139.24 1jpl h PRO 19 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1jpl h PRO 19 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1jpl h PRO 19 CO 0.95 0.00 -0.38 0.66 -0.21 0.00 0.00 178.00 179.02 1jpl h SER 20 N 0.00 0.75 -0.90 -2.05 4.64 -1.98 -3.45 113.55 110.56 1jpl h SER 20 Ca 0.05 -0.33 -0.71 0.00 -0.47 0.00 0.00 61.79 60.33 1jpl h SER 20 Cb 0.41 -0.21 0.05 0.00 -0.31 0.00 0.00 62.40 62.34 1jpl h SER 20 CO -0.00 1.05 0.05 0.59 -0.87 0.00 0.00 176.83 177.65 1jpl n ASN 21 N -4.05 -0.02 0.11 4.97 5.03 -0.57 -4.82 115.26 115.92 1jpl n ASN 21 Ca -0.02 1.04 0.13 0.00 0.87 0.00 0.00 54.58 56.60 1jpl n ASN 21 Cb 0.52 -0.82 0.38 0.00 -1.02 0.00 0.00 39.78 38.84 1jpl n ASN 21 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1jpl h ARG 22 N 2.67 0.00 -2.10 3.52 2.43 -1.89 -3.47 114.38 115.54 1jpl h ARG 22 Ca -0.46 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1jpl h ARG 22 Cb 1.28 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.73 1jpl h ARG 22 CO 0.58 0.00 0.57 -0.65 -1.51 0.00 0.00 179.97 178.97 1jpl s GLN 23 N -3.11 0.96 -0.04 0.20 -1.52 -1.26 -5.13 119.66 109.77 1jpl s GLN 23 Ca 0.10 -0.52 -0.36 0.00 -1.95 0.00 0.00 55.36 52.63 1jpl s GLN 23 Cb 0.12 0.34 -0.15 0.00 -0.22 0.00 0.00 33.01 33.10 1jpl s GLN 23 CO 0.60 -0.44 1.63 0.39 -0.25 0.00 0.00 175.29 177.23 1jpl n GLU 24 N -0.45 1.63 -3.29 2.91 4.71 -1.26 -4.90 120.64 119.99 1jpl n GLU 24 Ca -0.07 0.59 -0.47 0.00 -0.01 0.00 0.00 57.16 57.21 1jpl n GLU 24 Cb 0.61 -2.32 -0.02 0.00 -1.01 0.00 0.00 31.44 28.70 1jpl n GLU 24 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1jpl s ASP 25 N 2.26 6.76 0.56 1.62 -1.08 -1.26 -4.93 116.67 120.59 1jpl s ASP 25 Ca 0.89 -2.63 0.30 0.00 -0.52 0.00 0.00 52.55 50.59 1jpl s ASP 25 Cb -0.86 -2.23 1.67 0.00 -1.46 0.00 0.00 42.92 40.04 1jpl s ASP 25 CO 0.51 -0.62 2.17 -0.50 0.52 0.00 0.00 175.17 177.24 1jpl h TRP 26 N 7.89 0.00 -0.25 -5.34 4.06 -1.97 -2.30 115.95 118.03 1jpl h TRP 26 Ca 0.12 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 1jpl h TRP 26 Cb 1.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.18 1jpl h TRP 26 CO 1.05 0.06 -0.15 0.93 -3.56 0.00 0.00 178.44 176.77 1jpl h GLU 27 N 0.00 0.43 0.03 0.49 5.08 -1.99 -2.03 114.58 116.59 1jpl h GLU 27 Ca -0.00 -0.13 -0.26 0.00 -1.00 0.00 0.00 59.36 57.97 1jpl h GLU 27 Cb 0.17 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1jpl h GLU 27 CO 0.01 0.58 -1.36 1.88 -1.00 0.00 0.00 179.01 179.12 1jpl h TYR 28 N 0.40 0.10 0.72 4.33 0.05 -1.81 -2.30 116.97 118.46 1jpl h TYR 28 Ca 0.07 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1jpl h TYR 28 Cb 0.50 -0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.25 1jpl h TYR 28 CO 0.01 1.09 -0.34 0.82 -1.05 0.00 0.00 178.16 178.69 1jpl h ILE 29 N 0.02 0.00 -0.33 -2.88 2.04 -1.34 0.15 117.51 115.17 1jpl h ILE 29 Ca -0.15 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1jpl h ILE 29 Cb 1.91 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1jpl h ILE 29 CO 0.12 0.00 0.18 0.40 0.00 0.00 0.00 178.15 178.85 1jpl h ILE 30 N -1.24 1.11 -0.79 -0.67 1.08 -1.53 -0.59 117.51 114.87 1jpl h ILE 30 Ca -0.10 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1jpl h ILE 30 Cb 0.74 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 1jpl h ILE 30 CO 0.16 0.11 0.52 1.23 -0.69 0.00 0.00 178.15 179.49 1jpl h GLY 31 N 0.52 1.12 0.84 5.37 0.00 -1.21 0.65 103.07 110.36 1jpl h GLY 31 Ca 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1jpl h GLY 31 CO -0.02 0.39 0.04 -2.75 0.00 0.00 0.00 176.54 174.20 1jpl h PHE 32 N 1.05 0.24 -0.87 5.60 3.57 0.78 -2.33 116.94 124.98 1jpl h PHE 32 Ca 0.29 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1jpl h PHE 32 Cb -0.10 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.51 1jpl h PHE 32 CO -0.02 0.37 0.53 0.00 -2.23 0.00 0.00 178.31 176.96 1jpl h ASP 34 N 0.93 0.98 -0.59 0.00 3.32 -0.69 -1.60 116.42 118.78 1jpl h ASP 34 Ca 0.40 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1jpl h ASP 34 Cb 0.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1jpl h ASP 34 CO -0.20 0.74 0.29 1.56 -1.72 0.00 0.00 179.24 179.90 1jpl h GLN 35 N 1.14 0.88 -0.44 3.56 1.08 -0.64 -1.80 115.11 118.88 1jpl h GLN 35 Ca 0.30 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1jpl h GLN 35 Cb -0.08 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.16 1jpl h GLN 35 CO -0.06 0.68 0.11 0.82 -0.95 0.00 0.00 178.83 179.44 1jpl h ILE 36 N 0.87 1.23 -0.40 2.54 1.08 -0.66 -2.43 117.51 119.74 1jpl h ILE 36 Ca 0.22 -0.80 -0.07 0.00 -0.39 0.00 0.00 64.86 63.82 1jpl h ILE 36 Cb 0.10 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1jpl h ILE 36 CO -0.03 0.28 -0.04 0.78 -0.69 0.00 0.00 178.15 178.46 1jpl h ASN 37 N 0.59 0.63 0.40 1.72 2.35 -0.70 -2.87 115.58 117.70 1jpl h ASN 37 Ca 0.14 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1jpl h ASN 37 Cb 0.31 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1jpl h ASN 37 CO 0.00 0.73 -0.33 2.29 -1.65 0.00 0.00 177.43 178.47 1jpl n LYS 38 N -4.22 0.42 -3.71 0.81 2.85 -0.73 -4.85 118.16 108.73 1jpl n LYS 38 Ca 0.02 -0.23 -0.36 0.00 -1.05 0.00 0.00 58.31 56.69 1jpl n LYS 38 Cb 0.30 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.09 1jpl n LYS 38 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1jpl s GLU 39 N -2.74 4.04 0.24 -1.58 2.56 -0.92 -4.98 118.70 115.32 1jpl s GLU 39 Ca 0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 54.97 54.76 1jpl s GLU 39 Cb 0.19 -3.49 0.34 0.00 2.00 0.00 0.00 34.13 33.17 1jpl s GLU 39 CO 0.59 0.08 1.59 1.25 -0.56 0.00 0.00 175.26 178.21 1jpl h LEU 40 N 7.43 -0.82 -3.49 2.70 6.46 -1.88 0.75 115.31 126.46 1jpl h LEU 40 Ca -0.38 0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 1jpl h LEU 40 Cb 1.17 0.53 -0.03 0.00 -0.73 0.00 0.00 40.66 41.60 1jpl h LEU 40 CO 0.66 -0.28 0.04 -0.62 -0.62 0.00 0.00 178.44 177.63 1jpl n GLU 41 N -5.53 3.93 -0.16 1.25 1.02 -1.26 -4.73 120.64 115.16 1jpl n GLU 41 Ca 0.12 -3.05 -0.03 0.00 -0.02 0.00 0.00 57.16 54.17 1jpl n GLU 41 Cb 0.42 -2.10 0.03 0.00 -0.02 0.00 0.00 31.44 29.77 1jpl n GLU 41 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1jpl h GLY 42 N 2.92 0.31 0.87 0.62 0.00 -1.02 -2.57 103.07 104.19 1jpl h GLY 42 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1jpl h GLY 42 CO 0.44 -0.20 0.04 -2.55 0.00 0.00 0.00 176.54 174.27 1jpl h PRO 43 N -0.03 0.15 -0.47 4.80 0.11 -1.80 -1.00 132.00 133.76 1jpl h PRO 43 Ca 0.24 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.39 1jpl h PRO 43 Cb 0.39 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 1jpl h PRO 43 CO -0.52 0.25 0.12 1.96 -0.21 0.00 0.00 178.00 179.60 1jpl h GLN 44 N 0.01 0.25 0.19 1.05 7.50 -1.86 -2.02 115.11 120.23 1jpl h GLN 44 Ca 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 1jpl h GLN 44 Cb 0.16 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.64 1jpl h GLN 44 CO -0.00 0.17 -0.09 0.82 -1.50 0.00 0.00 178.83 178.23 1jpl h ILE 45 N 0.26 0.92 -0.62 2.54 2.04 -1.48 -3.26 117.51 117.90 1jpl h ILE 45 Ca 0.23 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.39 1jpl h ILE 45 Cb 0.29 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1jpl h ILE 45 CO -0.28 0.17 0.25 0.00 0.00 0.00 0.00 178.15 178.29 1jpl h ALA 46 N 0.03 0.81 -0.51 1.87 0.00 -1.05 0.35 119.26 120.76 1jpl h ALA 46 Ca -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jpl h ALA 46 Cb 0.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1jpl h ALA 46 CO 0.04 -0.16 0.18 -0.39 0.00 0.00 0.00 179.25 178.93 1jpl h VAL 47 N 0.45 1.20 -0.47 0.00 -1.51 -1.48 0.32 116.25 114.75 1jpl h VAL 47 Ca 0.31 -0.63 -0.14 0.00 -1.23 0.00 0.00 66.70 65.01 1jpl h VAL 47 Cb 0.36 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1jpl h VAL 47 CO -0.29 0.24 -0.23 0.03 -1.23 0.00 0.00 177.57 176.10 1jpl h ARG 48 N 0.73 0.99 0.04 5.19 3.08 -1.37 0.26 114.38 123.29 1jpl h ARG 48 Ca 0.17 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1jpl h ARG 48 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1jpl h ARG 48 CO -0.01 1.11 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.91 1jpl h LEU 49 N 0.85 -0.05 -0.52 3.04 4.07 -0.27 -2.60 115.31 119.83 1jpl h LEU 49 Ca 0.11 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1jpl h LEU 49 Cb 0.82 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1jpl h LEU 49 CO 0.07 0.21 0.26 -0.07 -1.08 0.00 0.00 178.44 177.82 1jpl h LEU 50 N -0.30 0.67 -1.17 1.67 3.38 -0.35 -1.50 115.31 117.72 1jpl h LEU 50 Ca -0.01 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.94 1jpl h LEU 50 Cb 0.27 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1jpl h LEU 50 CO 0.01 0.60 0.59 0.00 0.09 0.00 0.00 178.44 179.73 1jpl h ALA 51 N 1.10 1.62 -0.34 1.53 0.00 -0.94 0.26 119.26 122.49 1jpl h ALA 51 Ca 0.18 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1jpl h ALA 51 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jpl h ALA 51 CO -0.02 0.19 -0.38 1.25 0.00 0.00 0.00 179.25 180.29 1jpl h HIS 52 N 0.91 0.96 -0.14 0.00 -0.00 -0.98 -2.58 115.15 113.31 1jpl h HIS 52 Ca 0.43 -0.28 -0.17 0.00 -0.00 0.00 0.00 60.37 60.34 1jpl h HIS 52 Cb 0.42 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1jpl h HIS 52 CO -0.00 1.06 -0.63 -0.22 -0.00 0.00 0.00 177.93 178.14 1jpl h LYS 53 N 0.66 0.51 0.00 5.26 1.63 -0.22 -2.83 116.57 121.58 1jpl h LYS 53 Ca 0.06 -0.36 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 1jpl h LYS 53 Cb 0.94 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1jpl h LYS 53 CO 0.09 0.97 -0.15 0.82 -3.45 0.00 0.00 179.45 177.73 1jpl h ILE 54 N 0.38 0.78 -0.34 2.00 2.04 -0.43 -1.47 117.51 120.46 1jpl h ILE 54 Ca -0.01 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1jpl h ILE 54 Cb 1.18 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1jpl h ILE 54 CO 0.11 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.41 1jpl n GLN 55 N -3.88 1.90 -1.42 2.37 6.02 -0.98 -4.81 117.38 116.57 1jpl n GLN 55 Ca -0.02 -1.38 -0.35 0.00 -0.01 0.00 0.00 57.00 55.24 1jpl n GLN 55 Cb 0.24 -1.34 0.10 0.00 1.02 0.00 0.00 30.24 30.26 1jpl n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jpl s SER 56 N -1.15 4.13 0.38 1.08 0.15 -0.55 -4.90 113.70 112.83 1jpl s SER 56 Ca 0.28 2.42 0.21 0.00 0.70 0.00 0.00 55.95 59.56 1jpl s SER 56 Cb 0.15 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.35 1jpl s SER 56 CO 0.21 -2.31 1.64 -0.65 1.20 0.00 0.00 173.24 173.32 1jpl h PRO 57 N -0.27 0.00 -6.06 5.44 0.11 -1.93 -3.42 132.00 125.87 1jpl h PRO 57 Ca -0.48 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.03 1jpl h PRO 57 Cb 1.31 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 1jpl h PRO 57 CO 0.49 0.29 0.54 -1.14 -0.21 0.00 0.00 178.00 177.97 1jpl s GLN 58 N -3.29 3.59 0.15 1.05 -0.44 -1.26 -4.97 119.66 114.49 1jpl s GLN 58 Ca 0.03 0.21 -0.19 0.00 -2.50 0.00 0.00 55.36 52.91 1jpl s GLN 58 Cb 0.08 -3.90 0.04 0.00 -1.64 0.00 0.00 33.01 27.59 1jpl s GLN 58 CO 0.68 -1.13 1.67 1.49 0.50 0.00 0.00 175.29 178.51 1jpl h GLU 59 N 8.91 -0.06 -0.83 1.67 4.81 -1.99 -2.04 114.58 125.06 1jpl h GLU 59 Ca -0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1jpl h GLU 59 Cb 1.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1jpl h GLU 59 CO 1.00 -0.04 0.49 2.35 -0.73 0.00 0.00 179.01 182.08 1jpl h TRP 60 N -0.06 1.11 -0.84 0.92 -0.00 -1.95 0.23 115.95 115.36 1jpl h TRP 60 Ca 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.01 1jpl h TRP 60 Cb 0.28 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.04 1jpl h TRP 60 CO -0.31 0.75 0.45 1.49 -0.00 0.00 0.00 178.44 180.83 1jpl h GLU 61 N 1.14 1.17 -0.26 2.65 4.81 -1.71 -0.52 114.58 121.86 1jpl h GLU 61 Ca 0.30 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 1jpl h GLU 61 Cb -0.02 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1jpl h GLU 61 CO -0.05 0.86 -0.37 0.00 -0.73 0.00 0.00 179.01 178.72 1jpl h ALA 62 N 1.32 0.40 -0.51 2.92 0.00 -0.62 -2.32 119.26 120.46 1jpl h ALA 62 Ca 0.29 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1jpl h ALA 62 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1jpl h ALA 62 CO -0.05 0.48 0.28 -0.07 0.00 0.00 0.00 179.25 179.89 1jpl h LEU 63 N 0.45 0.43 -1.08 0.00 4.07 -0.08 -1.17 115.31 117.93 1jpl h LEU 63 Ca 0.03 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1jpl h LEU 63 Cb 0.96 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 1jpl h LEU 63 CO 0.09 0.30 -0.10 1.56 -1.08 0.00 0.00 178.44 179.21 1jpl h GLN 64 N 0.56 0.54 -0.57 1.13 4.20 -1.10 -2.40 115.11 117.47 1jpl h GLN 64 Ca 0.21 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1jpl h GLN 64 Cb 0.08 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1jpl h GLN 64 CO -0.12 0.64 0.37 0.00 -0.67 0.00 0.00 178.83 179.05 1jpl h ALA 65 N 1.40 0.73 -0.65 3.87 0.00 -0.67 -0.98 119.26 122.95 1jpl h ALA 65 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jpl h ALA 65 Cb 0.47 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1jpl h ALA 65 CO 0.03 0.14 0.41 -0.07 0.00 0.00 0.00 179.25 179.76 1jpl h LEU 66 N 0.76 0.68 -1.15 0.00 3.38 -0.77 0.07 115.31 118.27 1jpl h LEU 66 Ca 0.21 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1jpl h LEU 66 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1jpl h LEU 66 CO -0.06 0.48 -0.30 0.71 0.09 0.00 0.00 178.44 179.37 1jpl h THR 67 N 0.82 0.77 -0.35 0.22 1.35 -1.14 -1.37 112.91 113.20 1jpl h THR 67 Ca 0.26 -1.25 -0.10 0.00 -0.55 0.00 0.00 66.41 64.78 1jpl h THR 67 Cb -0.00 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1jpl h THR 67 CO -0.09 0.29 -0.16 0.58 -0.25 0.00 0.00 175.52 175.89 1jpl h VAL 68 N 0.00 1.29 -0.43 6.82 2.07 -0.19 -0.91 116.25 124.89 1jpl h VAL 68 Ca -0.00 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1jpl h VAL 68 Cb 0.75 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1jpl h VAL 68 CO 0.04 0.42 0.20 0.25 0.02 0.00 0.00 177.57 178.49 1jpl h LEU 69 N 0.51 0.28 -0.08 2.57 5.85 -0.50 0.44 115.31 124.37 1jpl h LEU 69 Ca 0.08 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1jpl h LEU 69 Cb 0.69 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1jpl h LEU 69 CO 0.05 0.20 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.94 1jpl h GLU 70 N 0.40 -0.10 -0.75 1.25 5.08 -0.97 -1.34 114.58 118.16 1jpl h GLU 70 Ca 0.19 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.68 1jpl h GLU 70 Cb 0.12 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1jpl h GLU 70 CO -0.15 -0.06 0.35 0.00 -1.00 0.00 0.00 179.01 178.14 1jpl h ALA 71 N 0.96 1.06 0.00 3.43 0.00 -0.60 -2.64 119.26 121.48 1jpl h ALA 71 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jpl h ALA 71 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jpl h ALA 71 CO -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1jpl n LYS 74 N 1.42 0.00 -0.03 0.00 5.02 -0.99 -0.79 118.16 122.78 1jpl n LYS 74 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1jpl n LYS 74 Cb 0.02 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.87 1jpl n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jpl n ASN 75 N 0.00 0.12 -1.56 4.39 4.13 -0.02 -4.58 115.26 117.74 1jpl n ASN 75 Ca 0.00 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.35 1jpl n ASN 75 Cb 0.00 1.70 0.35 0.00 -1.54 0.00 0.00 39.78 40.30 1jpl n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jpl n GLY 77 N 1.19 0.89 0.24 0.00 0.00 -1.26 -3.33 105.19 102.92 1jpl n GLY 77 Ca 0.25 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1jpl n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jpl h ARG 78 N 0.00 0.79 -0.43 1.61 2.43 -1.97 -2.52 114.38 114.29 1jpl h ARG 78 Ca 0.00 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1jpl h ARG 78 Cb 0.00 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1jpl h ARG 78 CO 0.00 0.78 0.30 0.07 -1.51 0.00 0.00 179.97 179.61 1jpl h ARG 79 N 0.66 0.12 0.14 0.20 0.11 -2.01 0.20 114.38 113.81 1jpl h ARG 79 Ca 0.15 -0.01 -0.30 0.00 0.10 0.00 0.00 59.98 59.92 1jpl h ARG 79 Cb 0.37 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1jpl h ARG 79 CO 0.01 0.08 -1.42 0.35 0.10 0.00 0.00 179.97 179.08 1jpl h PHE 80 N 0.12 0.55 -0.28 4.08 3.57 -1.52 -3.23 116.94 120.22 1jpl h PHE 80 Ca 0.20 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 1jpl h PHE 80 Cb 0.64 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1jpl h PHE 80 CO -0.00 1.38 0.16 0.45 -2.23 0.00 0.00 178.31 178.06 1jpl h HIS 81 N 0.08 0.39 -1.00 0.41 3.86 -0.73 -1.62 115.15 116.54 1jpl h HIS 81 Ca -0.21 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.18 1jpl h HIS 81 Cb 2.02 -0.12 -0.10 0.00 1.06 0.00 0.00 27.41 30.27 1jpl h HIS 81 CO 0.07 0.32 0.61 -0.91 0.86 0.00 0.00 177.93 178.89 1jpl h ASN 82 N 0.34 0.77 -0.11 2.45 -0.26 -0.75 0.67 115.58 118.69 1jpl h ASN 82 Ca 0.10 0.09 -0.22 0.00 -0.56 0.00 0.00 56.30 55.71 1jpl h ASN 82 Cb 0.06 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1jpl h ASN 82 CO -0.02 0.29 -0.77 -0.33 -1.06 0.00 0.00 177.43 175.54 1jpl h GLU 83 N 0.75 0.76 -0.43 0.81 4.39 -1.42 -3.07 114.58 116.37 1jpl h GLU 83 Ca 0.56 -0.62 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1jpl h GLU 83 Cb 0.89 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1jpl h GLU 83 CO -0.35 1.22 0.13 0.28 -1.16 0.00 0.00 179.01 179.13 1jpl h VAL 84 N 0.52 1.18 0.00 3.13 2.07 -0.32 -2.56 116.25 120.26 1jpl h VAL 84 Ca -0.05 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1jpl h VAL 84 Cb 1.40 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1jpl h VAL 84 CO 0.16 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1jpl n GLY 85 N -1.05 1.59 3.49 2.17 0.00 0.12 -4.29 105.19 107.22 1jpl n GLY 85 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1jpl n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jpl s LYS 86 N -0.53 3.47 0.59 1.61 3.01 -0.97 -4.65 119.74 122.28 1jpl s LYS 86 Ca 0.00 -0.55 0.29 0.00 -1.01 0.00 0.00 55.97 54.70 1jpl s LYS 86 Cb 0.00 -2.81 1.56 0.00 -1.01 0.00 0.00 37.83 35.57 1jpl s LYS 86 CO 0.00 0.31 1.99 0.74 0.51 0.00 0.00 175.35 178.90 1jpl h PHE 87 N 6.45 0.00 -0.37 3.18 0.04 -1.89 0.55 116.94 124.90 1jpl h PHE 87 Ca -0.33 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.49 1jpl h PHE 87 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1jpl h PHE 87 CO 0.53 0.00 0.25 -0.09 -0.60 0.00 0.00 178.31 178.40 1jpl h ARG 88 N 0.00 0.26 0.01 1.51 2.43 -1.93 0.12 114.38 116.79 1jpl h ARG 88 Ca 0.15 -0.02 -0.40 0.00 -0.81 0.00 0.00 59.98 58.90 1jpl h ARG 88 Cb 0.85 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 1jpl h ARG 88 CO -0.00 0.17 -2.40 0.34 -1.51 0.00 0.00 179.97 176.57 1jpl n PHE 89 N -4.48 0.17 -0.12 2.20 7.35 0.18 -4.48 117.46 118.28 1jpl n PHE 89 Ca 0.04 0.05 0.01 0.00 -0.76 0.00 0.00 57.45 56.79 1jpl n PHE 89 Cb 0.24 -1.02 0.30 0.00 0.35 0.00 0.00 39.48 39.36 1jpl n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jpl h LEU 90 N -0.26 0.70 -2.27 -2.13 3.38 -0.92 -1.81 115.31 111.99 1jpl h LEU 90 Ca -0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1jpl h LEU 90 Cb 1.83 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1jpl h LEU 90 CO -0.15 0.54 -0.05 0.78 0.09 0.00 0.00 178.44 179.65 1jpl h ASN 91 N 0.81 0.00 1.09 -0.43 2.35 -0.98 0.04 115.58 118.46 1jpl h ASN 91 Ca 0.21 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 1jpl h ASN 91 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1jpl h ASN 91 CO -0.04 0.05 -0.63 -0.33 -1.65 0.00 0.00 177.43 174.83 1jpl h GLU 92 N 0.00 0.00 0.07 0.81 4.39 -1.55 -2.68 114.58 115.62 1jpl h GLU 92 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1jpl h GLU 92 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1jpl h GLU 92 CO 0.01 0.63 -1.14 -0.07 -1.16 0.00 0.00 179.01 177.28 1jpl h LEU 93 N 0.00 0.24 -1.05 1.33 3.38 -1.05 -3.23 115.31 114.93 1jpl h LEU 93 Ca -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1jpl h LEU 93 Cb 1.34 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1jpl h LEU 93 CO 0.08 1.20 0.21 0.40 0.09 0.00 0.00 178.44 180.42 1jpl h ILE 94 N 0.04 1.22 0.00 1.22 2.04 -1.14 -1.62 117.51 119.27 1jpl h ILE 94 Ca -0.08 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1jpl h ILE 94 Cb 1.88 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1jpl h ILE 94 CO 0.17 0.28 -0.17 0.11 0.00 0.00 0.00 178.15 178.55 1jpl h LYS 95 N 0.86 0.00 -0.34 2.37 1.57 -1.50 -1.06 116.57 118.47 1jpl h LYS 95 Ca 0.20 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1jpl h LYS 95 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1jpl h LYS 95 CO -0.01 0.17 -0.17 0.28 -0.57 0.00 0.00 179.45 179.14 1jpl h VAL 96 N 0.00 1.29 0.00 0.50 2.07 -1.32 0.11 116.25 118.89 1jpl h VAL 96 Ca -0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1jpl h VAL 96 Cb 0.38 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1jpl h VAL 96 CO 0.02 0.42 -1.44 1.33 0.02 0.00 0.00 177.57 177.93 1jpl n VAL 97 N -4.32 0.31 -2.44 2.57 0.24 -1.14 -3.01 118.33 110.54 1jpl n VAL 97 Ca -0.02 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 1jpl n VAL 97 Cb 0.40 -0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 1jpl n VAL 97 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jpl s SER 98 N -4.87 6.82 0.60 -1.34 0.15 -0.42 -4.53 113.70 110.12 1jpl s SER 98 Ca -0.03 1.42 0.31 0.00 0.70 0.00 0.00 55.95 58.35 1jpl s SER 98 Cb 0.12 -2.54 1.85 0.00 -1.71 0.00 0.00 66.02 63.74 1jpl s SER 98 CO 0.84 -0.91 2.23 -0.65 1.20 0.00 0.00 173.24 175.95 1jpl h PRO 99 N 8.68 0.00 0.00 5.44 0.11 -1.89 0.12 132.00 144.46 1jpl h PRO 99 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jpl h PRO 99 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jpl h PRO 99 CO 1.00 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.42 1jpl n LYS 100 N -3.73 0.84 0.00 1.05 5.02 -1.26 -4.40 118.16 115.68 1jpl n LYS 100 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1jpl n LYS 100 Cb 0.15 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1jpl n LYS 100 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jpl n TYR 101 N -0.97 0.00 0.47 2.13 4.02 -0.09 -5.01 117.16 117.71 1jpl n TYR 101 Ca 0.19 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.17 1jpl n TYR 101 Cb 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.28 1jpl n TYR 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1jpl n LEU 102 N 0.00 0.47 -0.31 7.72 4.77 0.01 -4.69 117.00 124.97 1jpl n LEU 102 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1jpl n LEU 102 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1jpl n LEU 102 CO 0.00 0.12 0.49 0.61 -1.33 0.00 0.00 177.39 177.27 1jpl n GLY 103 N 1.42 -1.62 2.23 -0.72 0.00 0.24 -1.66 105.19 105.08 1jpl n GLY 103 Ca 0.00 0.90 -0.25 0.00 0.00 0.00 0.00 46.02 46.68 1jpl n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jpl n ASP 104 N -5.22 6.62 0.00 1.61 8.00 -1.26 -2.56 116.55 123.75 1jpl n ASP 104 Ca 0.09 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1jpl n ASP 104 Cb 0.34 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1jpl n ASP 104 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1jpl n ARG 105 N 2.29 0.00 -4.47 -1.24 0.00 -0.66 -5.12 116.66 107.46 1jpl n ARG 105 Ca 0.55 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 58.05 1jpl n ARG 105 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.97 1jpl n ARG 105 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1jpl s VAL 106 N 0.00 4.07 0.76 5.15 1.01 -1.06 -4.97 120.40 125.36 1jpl s VAL 106 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1jpl s VAL 106 Cb 0.00 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1jpl s VAL 106 CO 0.00 0.59 1.12 -0.94 0.00 0.00 0.00 175.10 175.87 1jpl s SER 107 N -0.88 4.39 0.35 3.32 1.04 -1.26 -4.87 113.70 115.79 1jpl s SER 107 Ca 0.13 1.98 0.05 0.00 0.48 0.00 0.00 55.95 58.59 1jpl s SER 107 Cb -0.11 -2.54 0.66 0.00 0.10 0.00 0.00 66.02 64.13 1jpl s SER 107 CO 0.02 -2.11 1.92 -0.08 0.98 0.00 0.00 173.24 173.97 1jpl h GLU 108 N -0.85 0.53 0.18 4.02 4.81 -1.99 -2.11 114.58 119.17 1jpl h GLU 108 Ca -0.45 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1jpl h GLU 108 Cb 1.25 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1jpl h GLU 108 CO 0.50 0.51 -0.28 0.87 -0.73 0.00 0.00 179.01 179.88 1jpl h LYS 109 N 0.51 -0.51 -0.78 1.92 1.57 -1.99 0.04 116.57 117.33 1jpl h LYS 109 Ca 0.12 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1jpl h LYS 109 Cb 0.24 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1jpl h LYS 109 CO 0.00 -0.34 0.32 0.28 -0.57 0.00 0.00 179.45 179.14 1jpl h VAL 110 N -0.53 1.25 -0.40 0.50 2.07 -1.89 -2.25 116.25 115.00 1jpl h VAL 110 Ca 0.01 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 1jpl h VAL 110 Cb 0.53 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1jpl h VAL 110 CO -0.12 0.32 -0.22 0.11 0.02 0.00 0.00 177.57 177.68 1jpl h LYS 111 N 1.13 0.86 0.00 1.57 1.57 -1.12 -2.04 116.57 118.54 1jpl h LYS 111 Ca 0.26 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1jpl h LYS 111 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jpl h LYS 111 CO -0.02 1.03 -0.41 1.79 -0.57 0.00 0.00 179.45 181.27 1jpl h THR 112 N 0.68 1.05 -0.23 -0.16 1.35 -0.91 -2.23 112.91 112.45 1jpl h THR 112 Ca 0.09 -1.53 -0.17 0.00 -0.55 0.00 0.00 66.41 64.24 1jpl h THR 112 Cb 0.79 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1jpl h THR 112 CO 0.06 0.40 -0.55 0.50 -0.25 0.00 0.00 175.52 175.68 1jpl h LYS 113 N 0.00 0.71 -0.35 4.72 1.63 -1.26 -0.61 116.57 121.41 1jpl h LYS 113 Ca -0.00 -0.45 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1jpl h LYS 113 Cb 0.85 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1jpl h LYS 113 CO 0.05 1.07 0.10 0.28 -3.45 0.00 0.00 179.45 177.50 1jpl h VAL 114 N 0.54 1.21 -0.54 2.00 2.07 -1.07 -0.97 116.25 119.50 1jpl h VAL 114 Ca 0.01 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1jpl h VAL 114 Cb 1.13 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1jpl h VAL 114 CO 0.11 0.24 0.18 0.40 0.02 0.00 0.00 177.57 178.53 1jpl h ILE 115 N 0.41 1.23 -0.27 4.57 1.08 -1.37 -1.30 117.51 121.87 1jpl h ILE 115 Ca 0.11 -0.76 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 1jpl h ILE 115 Cb 0.27 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1jpl h ILE 115 CO -0.00 0.29 0.04 -0.08 -0.69 0.00 0.00 178.15 177.70 1jpl h GLU 116 N 0.75 0.13 -0.00 2.37 4.81 -0.90 -1.43 114.58 120.30 1jpl h GLU 116 Ca 0.18 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jpl h GLU 116 Cb 0.26 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1jpl h GLU 116 CO -0.01 0.08 0.00 -0.07 -0.73 0.00 0.00 179.01 178.29 1jpl h LEU 117 N 0.13 0.00 0.11 1.64 3.38 -0.95 -0.22 115.31 119.41 1jpl h LEU 117 Ca 0.13 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1jpl h LEU 117 Cb 0.14 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1jpl h LEU 117 CO -0.18 0.13 -0.28 -0.07 0.09 0.00 0.00 178.44 178.13 1jpl h LEU 118 N -0.13 -0.80 -0.34 1.67 3.38 -1.10 0.27 115.31 118.26 1jpl h LEU 118 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1jpl h LEU 118 Cb 0.13 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1jpl h LEU 118 CO -0.00 -0.37 0.14 0.22 0.09 0.00 0.00 178.44 178.52 1jpl h TYR 119 N -0.49 0.25 -0.96 1.13 3.20 -1.27 -0.01 116.97 118.82 1jpl h TYR 119 Ca 0.03 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.10 1jpl h TYR 119 Cb 0.52 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.64 1jpl h TYR 119 CO -0.26 0.12 0.61 1.03 -1.64 0.00 0.00 178.16 178.02 1jpl h SER 120 N 0.30 0.67 1.15 -2.11 0.87 -0.36 0.99 113.55 115.07 1jpl h SER 120 Ca 0.15 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1jpl h SER 120 Cb 0.10 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1jpl h SER 120 CO -0.13 0.28 -0.26 -0.50 -0.53 0.00 0.00 176.83 175.69 1jpl h TRP 121 N 0.68 0.00 0.00 2.24 6.55 0.14 -1.22 115.95 124.34 1jpl h TRP 121 Ca 0.52 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.36 1jpl h TRP 121 Cb 0.90 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 1jpl h TRP 121 CO -0.00 0.26 0.00 0.25 -1.05 0.00 0.00 178.44 177.89 1jpl n THR 122 N -3.31 0.21 0.00 1.49 -2.24 0.34 -1.13 114.28 109.64 1jpl n THR 122 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1jpl n THR 122 Cb 0.50 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1jpl n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jpl n ALA 124 N 0.44 0.00 -3.51 6.98 0.00 -0.46 -4.59 120.51 119.37 1jpl n ALA 124 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1jpl n ALA 124 Cb 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1jpl n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jpl s LEU 125 N 0.00 5.98 0.25 0.00 1.43 -0.28 -4.89 118.68 121.17 1jpl s LEU 125 Ca 0.00 -3.15 -0.02 0.00 -1.03 0.00 0.00 54.13 49.93 1jpl s LEU 125 Cb 0.00 -2.04 0.31 0.00 0.03 0.00 0.00 46.19 44.49 1jpl s LEU 125 CO 0.00 -0.37 1.71 -0.65 0.23 0.00 0.00 176.35 177.27 1jpl h PRO 126 N 6.94 0.71 0.00 1.29 0.11 -1.81 -2.94 132.00 136.30 1jpl h PRO 126 Ca 0.10 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1jpl h PRO 126 Cb 0.93 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jpl h PRO 126 CO 0.81 0.81 0.00 -1.91 -0.21 0.00 0.00 178.00 177.50 1jpl n GLU 127 N -4.16 0.01 -3.52 1.05 4.07 -1.26 -4.17 120.64 112.66 1jpl n GLU 127 Ca 0.01 0.26 -0.40 0.00 -0.06 0.00 0.00 57.16 56.98 1jpl n GLU 127 Cb 0.37 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 30.19 1jpl n GLU 127 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1jpl s GLU 128 N -3.02 3.64 0.21 5.31 0.41 -1.11 -4.90 118.70 119.24 1jpl s GLU 128 Ca 0.07 -3.25 -0.10 0.00 -0.41 0.00 0.00 54.97 51.28 1jpl s GLU 128 Cb 0.09 -4.19 0.19 0.00 -1.78 0.00 0.00 34.13 28.44 1jpl s GLU 128 CO 0.27 -1.25 1.85 0.00 -0.49 0.00 0.00 175.26 175.63 1jpl h ALA 129 N 6.29 0.93 -0.86 5.21 0.00 -1.83 -2.73 119.26 126.27 1jpl h ALA 129 Ca 0.16 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.30 1jpl h ALA 129 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1jpl h ALA 129 CO 0.92 0.23 0.63 0.87 0.00 0.00 0.00 179.25 181.90 1jpl h LYS 130 N 0.88 0.00 -0.18 0.00 1.57 -1.90 0.31 116.57 117.25 1jpl h LYS 130 Ca 0.29 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 1jpl h LYS 130 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1jpl h LYS 130 CO -0.11 0.00 -0.34 0.82 -0.57 0.00 0.00 179.45 179.25 1jpl h ILE 131 N 0.00 1.29 -0.24 1.86 2.04 -1.76 -1.69 117.51 119.01 1jpl h ILE 131 Ca 0.41 -1.40 -0.15 0.00 1.00 0.00 0.00 64.86 64.72 1jpl h ILE 131 Cb 1.67 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1jpl h ILE 131 CO -0.00 0.43 -0.45 0.11 0.00 0.00 0.00 178.15 178.24 1jpl h LYS 132 N 0.32 0.72 -0.40 2.37 1.57 -0.52 -1.36 116.57 119.26 1jpl h LYS 132 Ca 0.04 -0.46 0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1jpl h LYS 132 Cb 0.75 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1jpl h LYS 132 CO 0.06 1.08 0.18 -0.44 -0.57 0.00 0.00 179.45 179.76 1jpl h ASP 133 N 0.44 0.25 -0.33 0.86 3.32 -1.18 1.03 116.42 120.82 1jpl h ASP 133 Ca 0.01 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1jpl h ASP 133 Cb 1.05 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1jpl h ASP 133 CO 0.10 0.18 0.13 0.00 -1.72 0.00 0.00 179.24 177.93 1jpl h ALA 134 N 1.23 0.43 -0.16 3.45 0.00 -1.28 -3.00 119.26 119.92 1jpl h ALA 134 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jpl h ALA 134 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jpl h ALA 134 CO -0.14 0.03 0.07 -0.92 0.00 0.00 0.00 179.25 178.29 1jpl h TYR 135 N 0.38 0.24 0.00 0.00 3.20 -0.62 -1.86 116.97 118.31 1jpl h TYR 135 Ca 0.11 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1jpl h TYR 135 Cb 0.20 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1jpl h TYR 135 CO -0.00 0.30 0.00 0.72 -1.64 0.00 0.00 178.16 177.54 1jpl n HIS 136 N -4.87 0.00 0.00 -3.82 8.25 0.35 -1.75 115.22 113.38 1jpl n HIS 136 Ca -0.04 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1jpl n HIS 136 Cb 0.11 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1jpl n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jpl n LEU 138 N 0.99 0.00 0.39 2.41 4.77 -0.70 -0.43 117.00 124.42 1jpl n LEU 138 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1jpl n LEU 138 Cb 0.02 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1jpl n LEU 138 CO 0.00 0.00 0.53 0.11 -1.33 0.00 0.00 177.39 176.70 1jpl h LYS 139 N 0.00 -0.95 0.00 3.23 1.57 -1.53 -0.43 116.57 118.46 1jpl h LYS 139 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jpl h LYS 139 Cb 0.00 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1jpl h LYS 139 CO 0.00 -0.61 0.23 -2.13 -0.57 0.00 0.00 179.45 176.37 1jpl n ARG 140 N -5.47 0.06 -0.13 3.15 0.63 0.43 0.38 116.66 115.71 1jpl n ARG 140 Ca -0.14 0.49 0.06 0.00 -0.92 0.00 0.00 57.85 57.34 1jpl n ARG 140 Cb 0.40 -1.94 0.12 0.00 0.45 0.00 0.00 32.46 31.50 1jpl n ARG 140 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1jpl n GLN 141 N -1.81 2.30 -0.64 -0.14 -0.06 -0.95 -5.01 117.38 111.07 1jpl n GLN 141 Ca -0.01 -2.22 0.00 0.00 -2.00 0.00 0.00 57.00 52.77 1jpl n GLN 141 Cb 0.25 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 1jpl n GLN 141 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jpl n GLY 142 N -0.73 0.88 0.24 1.69 0.00 0.16 -4.85 105.19 102.58 1jpl n GLY 142 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1jpl n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jpl h ILE 143 N 0.00 1.26 -3.70 -0.61 1.08 -1.31 -3.37 117.51 110.85 1jpl h ILE 143 Ca 0.00 -1.21 -0.68 0.00 -0.39 0.00 0.00 64.86 62.57 1jpl h ILE 143 Cb 0.00 1.32 -0.34 0.00 -3.07 0.00 0.00 36.82 34.74 1jpl h ILE 143 CO 0.00 0.39 -0.67 -0.69 -0.69 0.00 0.00 178.15 176.49 1jpl s VAL 144 N -4.53 3.02 0.00 1.67 1.01 -1.16 -4.98 120.40 115.42 1jpl s VAL 144 Ca -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1jpl s VAL 144 Cb 0.14 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1jpl s VAL 144 CO 0.78 -0.26 0.76 0.00 0.00 0.00 0.00 175.10 176.38 1jpl n GLN 145 N 4.60 0.00 -4.37 2.72 1.13 -1.26 -4.31 117.38 115.88 1jpl n GLN 145 Ca -0.10 0.46 -0.19 0.00 -1.94 0.00 0.00 57.00 55.23 1jpl n GLN 145 Cb 0.43 -1.36 -0.10 0.00 0.11 0.00 0.00 30.24 29.32 1jpl n GLN 145 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1jpl s SER 146 N -2.17 2.69 0.33 1.08 1.04 -1.26 -5.03 113.70 110.37 1jpl s SER 146 Ca 0.00 -1.05 -0.29 0.00 0.48 0.00 0.00 55.95 55.09 1jpl s SER 146 Cb 0.00 -0.15 -0.12 0.00 0.10 0.00 0.00 66.02 65.85 1jpl s SER 146 CO 0.00 -0.18 1.39 0.47 0.98 0.00 0.00 173.24 175.90 1jpl n ASP 147 N -0.43 3.16 -4.91 7.02 8.00 -1.26 -4.97 116.55 123.15 1jpl n ASP 147 Ca -0.07 1.20 -0.27 0.00 0.71 0.00 0.00 54.79 56.35 1jpl n ASP 147 Cb 0.61 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 1jpl n ASP 147 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1jpl s PRO 148 N -1.61 3.59 0.70 -0.24 0.04 -1.26 -5.07 135.00 131.16 1jpl s PRO 148 Ca 0.57 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 1jpl s PRO 148 Cb -0.55 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1jpl s PRO 148 CO 0.60 0.03 1.06 -1.25 0.04 0.00 0.00 177.00 177.48 1jpl s PRO 149 N -4.15 2.87 0.20 0.56 0.04 -1.26 -5.01 135.00 128.26 1jpl s PRO 149 Ca 0.45 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 1jpl s PRO 149 Cb -0.10 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1jpl s PRO 149 CO 0.36 -1.15 0.33 0.96 0.04 0.00 0.00 177.00 177.54 1jpl s ILE 150 N -2.99 0.03 0.51 0.56 -4.36 -1.26 -4.92 121.20 108.77 1jpl s ILE 150 Ca 0.59 -1.46 -0.20 0.00 -0.26 0.00 0.00 60.65 59.31 1jpl s ILE 150 Cb -0.15 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.45 1jpl s ILE 150 CO 0.54 -0.15 1.11 -2.84 0.24 0.00 0.00 174.94 173.84 1jpl s PRO 151 N -4.01 3.57 0.11 0.37 0.02 -1.26 -5.04 135.00 128.76 1jpl s PRO 151 Ca 0.22 1.58 -0.04 0.00 0.02 0.00 0.00 61.00 62.77 1jpl s PRO 151 Cb 0.02 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 1jpl s PRO 151 CO 0.05 -0.66 0.11 0.14 -0.33 0.00 0.00 177.00 176.30 1jpl s VAL 152 N -1.77 0.14 0.16 3.83 -7.23 -1.26 -5.09 120.40 109.17 1jpl s VAL 152 Ca 0.69 -1.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 1jpl s VAL 152 Cb -0.23 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.06 1jpl s VAL 152 CO 0.27 -0.62 0.76 1.51 -0.31 0.00 0.00 175.10 176.71 1jpl s ASP 153 N -2.96 -0.36 0.59 4.85 1.47 -1.26 -5.03 116.67 113.97 1jpl s ASP 153 Ca 0.14 -0.25 0.29 0.00 1.18 0.00 0.00 52.55 53.91 1jpl s ASP 153 Cb 0.06 0.57 1.44 0.00 -0.34 0.00 0.00 42.92 44.66 1jpl s ASP 153 CO -0.05 -1.00 1.85 0.03 0.68 0.00 0.00 175.17 176.69 1jpl h ARG 154 N 2.00 0.00 -0.98 2.11 2.47 -2.08 0.27 114.38 118.18 1jpl h ARG 154 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1jpl h ARG 154 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1jpl h ARG 154 CO 0.30 0.00 0.00 2.41 0.56 0.00 0.00 179.97 183.24 1jpl n THR 155 N -3.73 0.28 -0.99 2.04 -1.04 -1.26 -5.29 114.28 104.29 1jpl n THR 155 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1jpl n THR 155 Cb 0.76 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1jpl n THR 155 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61