#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jps s SER 2 N 0.00 3.14 -0.33 7.83 1.04 -1.26 -5.01 113.70 119.11 2jps s SER 2 Ca 0.00 -0.88 0.17 0.00 0.48 0.00 0.00 55.95 55.72 2jps s SER 2 Cb 0.00 -0.82 0.45 0.00 0.10 0.00 0.00 66.02 65.75 2jps s SER 2 CO 0.00 -0.26 0.93 0.00 0.98 0.00 0.00 173.24 174.89 2jps n GLN 3 N 4.91 1.12 -0.35 4.02 1.13 -1.26 -4.93 117.38 122.02 2jps n GLN 3 Ca -0.10 -3.26 -0.02 0.00 -1.94 0.00 0.00 57.00 51.68 2jps n GLN 3 Cb 0.46 -1.28 0.14 0.00 0.11 0.00 0.00 30.24 29.66 2jps n GLN 3 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2jps h GLU 4 N 3.00 1.26 -0.87 -1.09 4.57 -1.99 -1.41 114.58 118.05 2jps h GLU 4 Ca -0.08 -0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.12 2jps h GLU 4 Cb 1.16 -0.28 -0.06 0.00 -0.16 0.00 0.00 28.75 29.40 2jps h GLU 4 CO 0.50 0.84 0.57 -0.56 -1.18 0.00 0.00 179.01 179.17 2jps h GLN 5 N 1.30 0.82 -0.10 1.92 3.07 -2.00 0.12 115.11 120.24 2jps h GLN 5 Ca 0.35 -0.05 -0.21 0.00 0.09 0.00 0.00 58.65 58.83 2jps h GLN 5 Cb -0.15 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.23 2jps h GLN 5 CO -0.08 0.54 -0.80 1.88 0.09 0.00 0.00 178.83 180.47 2jps h TYR 6 N 0.84 0.83 -0.88 0.06 -1.99 -1.76 -2.82 116.97 111.26 2jps h TYR 6 Ca 0.41 -0.38 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 2jps h TYR 6 Cb 0.44 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.01 2jps h TYR 6 CO -0.00 1.19 0.51 1.15 -0.00 0.00 0.00 178.16 181.00 2jps h THR 7 N 0.40 1.25 -0.50 -2.88 2.02 -0.01 0.95 112.91 114.14 2jps h THR 7 Ca -0.05 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 2jps h THR 7 Cb 1.41 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2jps h THR 7 CO 0.15 0.27 -0.08 -0.08 0.37 0.00 0.00 175.52 176.15 2jps h GLU 8 N 1.21 0.93 -0.03 6.66 4.81 -0.82 0.49 114.58 127.83 2jps h GLU 8 Ca 0.31 -0.34 -0.26 0.00 -0.13 0.00 0.00 59.36 58.95 2jps h GLU 8 Cb -0.02 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.32 2jps h GLU 8 CO -0.06 0.99 -0.98 -0.91 -0.73 0.00 0.00 179.01 177.33 2jps h ASN 9 N 0.79 0.91 -0.23 1.04 4.21 -1.21 -3.13 115.58 117.95 2jps h ASN 9 Ca 0.13 -0.70 -0.10 0.00 1.21 0.00 0.00 56.30 56.84 2jps h ASN 9 Cb 0.63 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 2jps h ASN 9 CO 0.04 1.50 -0.20 0.25 -1.29 0.00 0.00 177.43 177.72 2jps h LEU 10 N 0.42 0.69 -1.58 1.61 5.85 0.10 -2.69 115.31 119.71 2jps h LEU 10 Ca -0.11 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2jps h LEU 10 Cb 1.63 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 2jps h LEU 10 CO 0.19 0.89 0.31 0.50 -0.34 0.00 0.00 178.44 179.99 2jps h LYS 11 N 0.61 0.54 -0.10 1.25 3.64 0.01 0.28 116.57 122.78 2jps h LYS 11 Ca 0.09 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 2jps h LYS 11 Cb 0.68 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2jps h LYS 11 CO 0.05 0.36 -0.39 0.28 -2.27 0.00 0.00 179.45 177.48 2jps h VAL 12 N 0.56 1.38 -0.41 2.00 2.07 -1.43 -2.32 116.25 118.10 2jps h VAL 12 Ca 0.18 -1.72 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 2jps h VAL 12 Cb 0.05 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2jps h VAL 12 CO -0.04 0.51 -0.12 0.40 0.02 0.00 0.00 177.57 178.33 2jps h ILE 13 N 0.02 1.26 -0.67 4.57 2.04 -1.17 -2.51 117.51 121.05 2jps h ILE 13 Ca -0.02 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 2jps h ILE 13 Cb 1.02 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2jps h ILE 13 CO 0.08 0.39 0.24 0.58 0.00 0.00 0.00 178.15 179.44 2jps h VAL 14 N 0.66 1.25 -0.36 1.67 2.07 -0.46 -2.27 116.25 118.81 2jps h VAL 14 Ca 0.11 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2jps h VAL 14 Cb 0.59 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2jps h VAL 14 CO 0.04 0.32 0.12 0.00 0.02 0.00 0.00 177.57 178.07 2jps h ALA 15 N 1.10 1.53 -0.92 1.67 0.00 -1.12 -2.31 119.26 119.21 2jps h ALA 15 Ca 0.22 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.18 2jps h ALA 15 Cb 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2jps h ALA 15 CO -0.01 0.36 0.59 1.49 0.00 0.00 0.00 179.25 181.68 2jps h GLU 16 N 0.52 0.58 0.00 0.00 4.81 -0.97 0.78 114.58 120.30 2jps h GLU 16 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2jps h GLU 16 Cb 0.15 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2jps h GLU 16 CO -0.01 0.39 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.30 2jps h LYS 17 N 0.60 0.00 -0.56 1.92 1.63 -1.46 -2.76 116.57 115.94 2jps h LYS 17 Ca 0.48 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.31 2jps h LYS 17 Cb 0.92 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.51 2jps h LYS 17 CO -0.23 0.67 0.34 -0.07 -3.45 0.00 0.00 179.45 176.71 2jps h LEU 18 N -1.00 0.54 -1.72 5.20 3.38 -1.20 0.95 115.31 121.45 2jps h LEU 18 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2jps h LEU 18 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2jps h LEU 18 CO -0.02 0.38 -0.17 0.00 0.09 0.00 0.00 178.44 178.71 2jps h ALA 19 N 1.25 1.37 0.02 1.53 0.00 0.44 -2.92 119.26 120.95 2jps h ALA 19 Ca 0.23 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 2jps h ALA 19 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2jps h ALA 19 CO -0.11 0.22 -1.45 0.78 0.00 0.00 0.00 179.25 178.69 2jps h GLY 20 N 0.89 0.05 -5.37 0.00 0.00 -0.90 -3.47 103.07 94.27 2jps h GLY 20 Ca -0.00 -0.13 -0.63 0.00 0.00 0.00 0.00 47.33 46.57 2jps h GLY 20 CO 0.02 0.11 0.78 1.39 0.00 0.00 0.00 176.54 178.84 2jps n ILE 21 N -3.22 0.14 0.33 2.60 5.41 0.21 -4.85 119.36 119.98 2jps n ILE 21 Ca -0.11 -0.03 0.15 0.00 1.00 0.00 0.00 62.75 63.76 2jps n ILE 21 Cb 1.01 -1.39 0.54 0.00 -0.71 0.00 0.00 39.64 39.09 2jps n ILE 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2jps h PRO 22 N 6.33 0.00 -0.82 0.38 0.13 -1.89 -3.14 132.00 132.99 2jps h PRO 22 Ca -0.46 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 2jps h PRO 22 Cb 1.28 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.15 2jps h PRO 22 CO 0.88 0.00 0.41 0.09 -0.23 0.00 0.00 178.00 179.15 2jps n ASN 23 N -2.78 4.49 -3.90 1.44 4.13 -1.26 -4.88 115.26 112.49 2jps n ASN 23 Ca 0.02 -3.71 -0.30 0.00 1.68 0.00 0.00 54.58 52.26 2jps n ASN 23 Cb 0.33 -0.79 -0.15 0.00 -1.54 0.00 0.00 39.78 37.63 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2jps s PHE 24 N -3.44 2.35 -0.06 3.10 2.19 -1.19 -5.04 117.98 115.90 2jps s PHE 24 Ca 0.55 -1.83 0.04 0.00 0.33 0.00 0.00 56.93 56.03 2jps s PHE 24 Cb 0.46 -1.71 -0.02 0.00 -1.31 0.00 0.00 43.02 40.44 2jps s PHE 24 CO 0.05 -0.80 -0.19 -0.80 1.83 0.00 0.00 175.22 175.31 2jps s ASN 25 N 1.40 3.57 0.42 6.13 -0.87 -1.26 -4.96 114.94 119.37 2jps s ASN 25 Ca -0.01 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.92 2jps s ASN 25 Cb -0.19 -0.89 0.00 0.00 -0.02 0.00 0.00 41.25 40.16 2jps s ASN 25 CO -0.09 0.28 0.00 -0.62 -2.57 0.00 0.00 177.10 174.10 2jps n GLU 26 N 2.72 -2.62 -3.35 -0.60 1.02 -1.26 -4.76 120.64 111.79 2jps n GLU 26 Ca -0.17 1.98 -0.23 0.00 -0.02 0.00 0.00 57.16 58.71 2jps n GLU 26 Cb 0.52 -3.21 -0.00 0.00 -0.02 0.00 0.00 31.44 28.73 2jps n GLU 26 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jps n ASP 27 N -4.27 -3.92 -0.02 1.62 2.03 -1.26 -4.85 116.55 105.88 2jps n ASP 27 Ca -0.04 -0.40 -0.20 0.00 0.52 0.00 0.00 54.79 54.68 2jps n ASP 27 Cb 0.64 -3.23 -0.14 0.00 -0.72 0.00 0.00 41.12 37.67 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jps n ILE 28 N -4.00 1.73 -0.01 5.18 0.00 -1.26 -3.14 119.36 117.85 2jps n ILE 28 Ca -0.02 -0.66 -0.12 0.00 0.00 0.00 0.00 62.75 61.96 2jps n ILE 28 Cb 0.55 -1.62 0.02 0.00 0.00 0.00 0.00 39.64 38.58 2jps n ILE 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jps h LYS 29 N 0.06 0.64 -0.42 9.51 3.64 -1.98 -2.78 116.57 125.25 2jps h LYS 29 Ca -0.44 -0.43 -0.13 0.00 -1.27 0.00 0.00 60.65 58.39 2jps h LYS 29 Cb 2.02 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.88 2jps h LYS 29 CO 0.06 1.05 -0.25 1.88 -2.27 0.00 0.00 179.45 179.92 2jps h TYR 30 N 0.49 0.99 -0.90 1.91 0.05 -1.97 -2.56 116.97 114.97 2jps h TYR 30 Ca 0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 2jps h TYR 30 Cb 1.16 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 2jps h TYR 30 CO 0.06 1.01 0.50 0.28 -1.05 0.00 0.00 178.16 178.96 2jps h VAL 31 N 0.74 1.26 -0.63 -2.88 2.07 -1.49 -1.59 116.25 113.73 2jps h VAL 31 Ca 0.09 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2jps h VAL 31 Cb 0.79 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2jps h VAL 31 CO 0.07 0.29 0.09 0.00 0.02 0.00 0.00 177.57 178.03 2jps h ALA 32 N 1.27 0.84 -0.51 1.67 0.00 -1.31 -0.12 119.26 121.11 2jps h ALA 32 Ca 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jps h ALA 32 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jps h ALA 32 CO -0.05 0.62 0.23 0.93 0.00 0.00 0.00 179.25 180.98 2jps h GLU 33 N 0.97 0.74 -0.64 0.00 5.08 -1.03 0.10 114.58 119.81 2jps h GLU 33 Ca 0.19 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2jps h GLU 33 Cb 0.46 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2jps h GLU 33 CO 0.02 0.63 0.07 -0.92 -1.00 0.00 0.00 179.01 177.81 2jps h TYR 34 N 0.68 1.15 -0.19 4.33 3.20 -1.10 0.72 116.97 125.76 2jps h TYR 34 Ca 0.17 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jps h TYR 34 Cb 0.15 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2jps h TYR 34 CO -0.00 0.98 0.08 0.82 -1.64 0.00 0.00 178.16 178.40 2jps h ILE 35 N 1.00 1.15 -0.85 1.81 2.04 -0.56 -0.39 117.51 121.71 2jps h ILE 35 Ca 0.19 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2jps h ILE 35 Cb 0.48 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2jps h ILE 35 CO 0.02 0.14 0.42 0.58 0.00 0.00 0.00 178.15 179.31 2jps h VAL 36 N 0.16 1.26 -0.64 1.67 2.07 -0.59 0.63 116.25 120.80 2jps h VAL 36 Ca 0.06 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2jps h VAL 36 Cb 0.15 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 2jps h VAL 36 CO -0.01 0.31 0.41 0.25 0.02 0.00 0.00 177.57 178.55 2jps h LEU 37 N 1.21 0.68 -0.54 2.57 5.85 -0.43 0.62 115.31 125.26 2jps h LEU 37 Ca 0.29 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 2jps h LEU 37 Cb 0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2jps h LEU 37 CO -0.04 0.48 0.14 -0.07 -0.34 0.00 0.00 178.44 178.60 2jps h LEU 38 N 0.81 0.82 -0.40 2.25 3.38 -0.41 0.43 115.31 122.18 2jps h LEU 38 Ca 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jps h LEU 38 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2jps h LEU 38 CO -0.09 0.83 0.20 0.40 0.09 0.00 0.00 178.44 179.88 2jps h ILE 39 N 0.76 1.17 -0.65 1.22 1.08 0.08 -2.43 117.51 118.75 2jps h ILE 39 Ca 0.17 -0.46 -0.05 0.00 -0.39 0.00 0.00 64.86 64.13 2jps h ILE 39 Cb 0.33 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 2jps h ILE 39 CO 0.00 0.18 0.21 0.58 -0.69 0.00 0.00 178.15 178.42 2jps h VAL 40 N 0.51 1.24 -0.67 1.67 2.07 0.47 -2.51 116.25 119.03 2jps h VAL 40 Ca 0.14 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2jps h VAL 40 Cb 0.10 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2jps h VAL 40 CO -0.02 0.32 0.44 0.78 0.02 0.00 0.00 177.57 179.11 2jps h ASN 41 N 0.95 0.65 0.00 0.57 2.35 -0.44 -3.45 115.58 116.22 2jps h ASN 41 Ca 0.21 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2jps h ASN 41 Cb 0.27 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2jps h ASN 41 CO -0.01 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 176.82 2jps n GLY 42 N -1.45 -0.81 0.00 2.83 0.00 -0.96 -5.07 105.19 99.73 2jps n GLY 42 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jps n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jps n GLY 43 N -1.25 0.56 3.20 -0.02 0.00 -1.11 -4.97 105.19 101.61 2jps n GLY 43 Ca 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2jps n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jps s THR 44 N -0.91 3.42 0.43 2.61 -4.23 -1.26 -4.98 115.64 110.73 2jps s THR 44 Ca 0.00 -1.47 0.22 0.00 -1.18 0.00 0.00 61.69 59.25 2jps s THR 44 Cb 0.00 -3.06 0.42 0.00 1.34 0.00 0.00 72.50 71.20 2jps s THR 44 CO 0.00 -0.31 1.81 0.58 -0.54 0.00 0.00 174.62 176.16 2jps h VAL 45 N 6.32 0.55 0.37 2.29 2.07 -1.96 0.87 116.25 126.75 2jps h VAL 45 Ca -0.20 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2jps h VAL 45 Cb 1.07 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2jps h VAL 45 CO 0.62 0.06 -0.18 -0.08 0.02 0.00 0.00 177.57 178.01 2jps h GLU 46 N 0.31 -0.48 -0.24 1.57 4.57 -1.98 0.18 114.58 118.51 2jps h GLU 46 Ca 0.55 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.68 2jps h GLU 46 Cb 1.55 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.23 2jps h GLU 46 CO -0.20 -0.16 -0.19 1.03 -1.18 0.00 0.00 179.01 178.30 2jps h SER 47 N -0.94 0.42 0.05 1.04 0.87 -1.80 -1.09 113.55 112.09 2jps h SER 47 Ca -0.05 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.24 2jps h SER 47 Cb 0.53 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2jps h SER 47 CO 0.08 0.63 -0.51 0.58 -0.53 0.00 0.00 176.83 177.08 2jps h VAL 48 N 0.39 1.32 -0.09 2.23 2.07 0.75 0.33 116.25 123.25 2jps h VAL 48 Ca 0.07 -1.74 -0.24 0.00 0.82 0.00 0.00 66.70 65.61 2jps h VAL 48 Cb 0.56 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2jps h VAL 48 CO 0.04 0.54 -0.88 0.58 0.02 0.00 0.00 177.57 177.87 2jps h VAL 49 N 0.41 1.29 -0.40 2.57 2.07 -0.36 -2.12 116.25 119.71 2jps h VAL 49 Ca 0.02 -2.11 -0.14 0.00 0.82 0.00 0.00 66.70 65.29 2jps h VAL 49 Cb 1.03 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2jps h VAL 49 CO 0.09 0.66 -0.30 -0.78 0.02 0.00 0.00 177.57 177.26 2jps h ASP 50 N 0.45 0.91 -0.55 0.57 1.82 -1.15 -1.33 116.42 117.14 2jps h ASP 50 Ca -0.08 -0.37 -0.10 0.00 -0.39 0.00 0.00 57.03 56.09 2jps h ASP 50 Cb 1.51 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 2jps h ASP 50 CO 0.17 1.13 -0.02 -0.33 -1.61 0.00 0.00 179.24 178.59 2jps h GLU 51 N 0.74 1.01 -0.36 0.28 3.07 -0.93 -1.42 114.58 116.96 2jps h GLU 51 Ca 0.08 -0.32 -0.14 0.00 -0.50 0.00 0.00 59.36 58.49 2jps h GLU 51 Cb 0.86 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 2jps h GLU 51 CO 0.08 1.00 -0.30 -0.07 -1.40 0.00 0.00 179.01 178.32 2jps h LEU 52 N 0.92 0.89 -0.94 1.33 3.38 -1.26 -3.00 115.31 116.63 2jps h LEU 52 Ca 0.16 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2jps h LEU 52 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2jps h LEU 52 CO 0.03 1.16 0.37 0.00 0.09 0.00 0.00 178.44 180.09 2jps h ALA 53 N 0.76 1.17 -0.61 1.53 0.00 -1.08 0.87 119.26 121.89 2jps h ALA 53 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jps h ALA 53 Cb 0.88 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2jps h ALA 53 CO 0.08 0.63 0.41 1.03 0.00 0.00 0.00 179.25 181.39 2jps h SER 54 N 1.12 0.55 0.07 0.00 0.87 -1.12 -2.55 113.55 112.49 2jps h SER 54 Ca 0.27 -0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.46 2jps h SER 54 Cb 0.12 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2jps h SER 54 CO -0.03 0.36 -2.17 0.18 -0.53 0.00 0.00 176.83 174.64 2jps n LEU 55 N -4.47 2.72 -3.95 2.23 4.32 -0.86 -4.57 117.00 112.42 2jps n LEU 55 Ca 0.08 0.09 -0.39 0.00 -0.02 0.00 0.00 56.01 55.77 2jps n LEU 55 Cb 0.21 -1.03 -0.02 0.00 -1.62 0.00 0.00 43.42 40.96 2jps n LEU 55 CO 0.34 0.86 0.73 0.49 -1.22 0.00 0.00 177.39 178.59 2jps n PHE 56 N -3.46 3.32 1.15 -1.77 3.72 0.29 -4.84 117.46 115.88 2jps n PHE 56 Ca -0.38 -3.37 0.12 0.00 -0.05 0.00 0.00 57.45 53.77 2jps n PHE 56 Cb 1.01 -1.16 0.61 0.00 -0.94 0.00 0.00 39.48 39.00 2jps n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2jps n ASP 57 N 1.59 0.00 -1.95 4.37 2.03 -0.97 -3.35 116.55 118.27 2jps n ASP 57 Ca 0.26 -0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.44 2jps n ASP 57 Cb 0.36 -0.28 0.29 0.00 -0.72 0.00 0.00 41.12 40.77 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jps n SER 58 N -1.28 4.70 -4.23 1.67 7.64 -1.26 -4.92 113.62 115.94 2jps n SER 58 Ca 0.12 -3.13 -0.27 0.00 1.01 0.00 0.00 58.87 56.59 2jps n SER 58 Cb 0.19 -0.73 -0.15 0.00 -1.01 0.00 0.00 64.21 62.50 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jps s VAL 59 N -2.82 1.64 0.40 0.44 1.01 -1.21 -5.11 120.40 114.75 2jps s VAL 59 Ca 0.52 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2jps s VAL 59 Cb 0.41 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.32 2jps s VAL 59 CO 0.13 0.43 1.45 -0.44 0.00 0.00 0.00 175.10 176.67 2jps s SER 60 N -0.57 6.20 0.41 3.32 0.01 -1.26 -4.85 113.70 116.96 2jps s SER 60 Ca 0.08 2.97 0.17 0.00 1.31 0.00 0.00 55.95 60.48 2jps s SER 60 Cb -0.08 -2.66 1.06 0.00 0.21 0.00 0.00 66.02 64.54 2jps s SER 60 CO -0.00 -0.96 1.85 0.03 0.41 0.00 0.00 173.24 174.56 2jps h ARG 61 N 2.77 0.42 -0.32 12.44 2.47 -1.98 0.78 114.38 130.96 2jps h ARG 61 Ca -0.51 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.12 2jps h ARG 61 Cb 1.25 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.46 2jps h ARG 61 CO 0.63 0.28 -0.07 -0.44 0.56 0.00 0.00 179.97 180.93 2jps h ASP 62 N 0.44 0.50 -0.43 7.04 3.32 -1.99 -1.30 116.42 124.00 2jps h ASP 62 Ca 0.48 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.28 2jps h ASP 62 Cb 1.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2jps h ASP 62 CO -0.20 0.62 -0.28 0.74 -1.72 0.00 0.00 179.24 178.40 2jps h THR 63 N 0.49 1.27 -0.33 0.35 2.02 -1.19 -0.24 112.91 115.27 2jps h THR 63 Ca 0.10 -1.45 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 2jps h THR 63 Cb 0.43 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2jps h THR 63 CO 0.02 0.49 -0.15 -0.07 0.37 0.00 0.00 175.52 176.18 2jps h LEU 64 N 0.77 0.71 -0.90 2.58 4.07 -1.26 -2.61 115.31 118.67 2jps h LEU 64 Ca 0.09 -0.40 -0.07 0.00 0.08 0.00 0.00 57.88 57.58 2jps h LEU 64 Cb 0.86 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 2jps h LEU 64 CO 0.08 0.95 0.04 0.00 -1.08 0.00 0.00 178.44 178.42 2jps h ALA 65 N 0.78 1.09 -0.81 1.53 0.00 -1.18 -0.99 119.26 119.68 2jps h ALA 65 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jps h ALA 65 Cb 0.67 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jps h ALA 65 CO 0.05 0.58 0.46 -0.91 0.00 0.00 0.00 179.25 179.43 2jps h ASN 66 N 0.80 0.99 0.24 0.00 2.35 -0.89 0.71 115.58 119.78 2jps h ASN 66 Ca 0.16 -0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 2jps h ASN 66 Cb 0.42 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jps h ASN 66 CO 0.02 0.79 -0.79 0.58 -1.65 0.00 0.00 177.43 176.38 2jps h VAL 67 N 1.11 1.38 -0.14 2.81 2.07 -1.19 -2.72 116.25 119.57 2jps h VAL 67 Ca 0.29 -2.20 -0.17 0.00 0.82 0.00 0.00 66.70 65.44 2jps h VAL 67 Cb 0.00 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2jps h VAL 67 CO -0.05 0.66 -0.61 0.58 0.02 0.00 0.00 177.57 178.17 2jps h VAL 68 N 0.29 1.34 -0.76 2.57 2.07 -0.77 -2.73 116.25 118.27 2jps h VAL 68 Ca -0.04 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 2jps h VAL 68 Cb 1.38 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 2jps h VAL 68 CO 0.14 0.59 0.32 1.56 0.02 0.00 0.00 177.57 180.19 2jps h GLN 69 N 0.35 1.12 -0.01 1.57 4.20 0.47 -1.95 115.11 120.86 2jps h GLN 69 Ca -0.01 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 2jps h GLN 69 Cb 1.16 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2jps h GLN 69 CO 0.11 0.90 -0.46 0.00 -0.67 0.00 0.00 178.83 178.71 2jps h THR 70 N 1.08 1.33 -0.20 -0.54 1.03 -1.42 -2.72 112.91 111.48 2jps h THR 70 Ca 0.25 -1.58 -0.15 0.00 -0.01 0.00 0.00 66.41 64.92 2jps h THR 70 Cb 0.19 1.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.11 2jps h THR 70 CO -0.02 0.45 -0.49 0.00 -0.01 0.00 0.00 175.52 175.45 2jps h ALA 71 N 1.53 0.78 -0.00 0.00 0.00 -1.12 -0.60 119.26 119.85 2jps h ALA 71 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jps h ALA 71 Cb 0.82 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jps h ALA 71 CO 0.06 0.67 0.00 0.74 0.00 0.00 0.00 179.25 180.72 2jps h PHE 72 N 0.42 0.00 -0.83 0.00 -1.00 -1.12 -1.37 116.94 113.03 2jps h PHE 72 Ca 0.02 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2jps h PHE 72 Cb 1.01 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.53 2jps h PHE 72 CO 0.04 0.18 0.43 0.74 -1.61 0.00 0.00 178.31 178.10 2jps h PHE 73 N -0.18 1.15 -0.95 -0.55 0.04 -1.45 -2.23 116.94 112.77 2jps h PHE 73 Ca 0.00 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.77 2jps h PHE 73 Cb 0.18 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 2jps h PHE 73 CO -0.01 0.81 0.62 0.00 -0.60 0.00 0.00 178.31 179.13 2jps h ALA 74 N 1.31 1.39 -0.92 2.45 0.00 -0.77 -1.26 119.26 121.46 2jps h ALA 74 Ca 0.29 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2jps h ALA 74 Cb 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2jps h ALA 74 CO -0.04 0.53 0.59 -0.07 0.00 0.00 0.00 179.25 180.25 2jps h LEU 75 N 1.20 0.97 -0.32 0.00 3.38 -0.62 0.38 115.31 120.30 2jps h LEU 75 Ca 0.37 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.18 2jps h LEU 75 Cb -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2jps h LEU 75 CO -0.11 0.65 -0.44 -0.08 0.09 0.00 0.00 178.44 178.55 2jps h GLU 76 N 1.13 0.86 -0.54 1.13 4.57 -1.29 -2.68 114.58 117.76 2jps h GLU 76 Ca 0.38 -0.50 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 2jps h GLU 76 Cb 0.05 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2jps h GLU 76 CO -0.14 1.14 -0.04 0.00 -1.18 0.00 0.00 179.01 178.80 2jps h ALA 77 N 0.71 0.91 -0.83 2.92 0.00 -0.57 -2.79 119.26 119.62 2jps h ALA 77 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jps h ALA 77 Cb 1.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2jps h ALA 77 CO 0.10 0.64 0.46 -0.07 0.00 0.00 0.00 179.25 180.38 2jps h LEU 78 N 0.87 1.02 -1.72 0.00 3.38 -0.18 -1.97 115.31 116.71 2jps h LEU 78 Ca 0.15 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2jps h LEU 78 Cb 0.56 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2jps h LEU 78 CO 0.03 0.82 0.30 1.56 0.09 0.00 0.00 178.44 181.24 2jps h GLN 79 N 1.15 0.34 0.24 1.13 4.20 -1.19 -2.52 115.11 118.46 2jps h GLN 79 Ca 0.29 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.65 2jps h GLN 79 Cb 0.02 -0.08 0.04 0.00 0.30 0.00 0.00 27.48 27.76 2jps h GLN 79 CO -0.05 0.22 -1.47 1.96 -0.67 0.00 0.00 178.83 178.83 2jps h GLN 80 N 0.35 0.51 0.00 1.46 4.20 -1.37 -3.49 115.11 116.77 2jps h GLN 80 Ca 0.20 -0.88 0.00 0.00 0.06 0.00 0.00 58.65 58.03 2jps h GLN 80 Cb 0.34 0.33 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2jps h GLN 80 CO -0.05 1.42 0.00 0.41 -0.67 0.00 0.00 178.83 179.94 2jps n GLY 81 N 1.73 0.60 3.77 3.46 0.00 -0.87 -5.15 105.19 108.73 2jps n GLY 81 Ca -0.18 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2jps n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jps s GLU 82 N 0.00 2.18 -0.07 1.61 2.12 -1.24 -5.01 118.70 118.30 2jps s GLU 82 Ca 0.00 -2.13 0.03 0.00 0.36 0.00 0.00 54.97 53.23 2jps s GLU 82 Cb 0.00 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 2jps s GLU 82 CO 0.00 -0.31 -0.14 -1.12 -0.54 0.00 0.00 175.26 173.15 2jps s SER 83 N -3.95 4.04 -0.21 -1.70 0.01 -1.26 -4.98 113.70 105.64 2jps s SER 83 Ca 0.26 -0.22 0.14 0.00 1.31 0.00 0.00 55.95 57.43 2jps s SER 83 Cb 0.03 -1.04 -0.23 0.00 0.21 0.00 0.00 66.02 64.98 2jps s SER 83 CO 0.14 0.30 0.01 0.00 0.41 0.00 0.00 173.24 174.11 2jps n ALA 84 N 2.61 1.48 -0.33 1.44 0.00 -1.26 -4.43 120.51 120.01 2jps n ALA 84 Ca -0.17 -1.26 0.02 0.00 0.00 0.00 0.00 53.44 52.03 2jps n ALA 84 Cb 0.52 -0.18 0.20 0.00 0.00 0.00 0.00 19.45 19.99 2jps n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jps h GLU 85 N 0.00 1.10 -0.67 0.00 4.81 -1.95 -1.67 114.58 116.20 2jps h GLU 85 Ca -0.55 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2jps h GLU 85 Cb 2.16 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 31.25 2jps h GLU 85 CO 0.00 0.73 0.44 -2.95 -0.73 0.00 0.00 179.01 176.50 2jps h ASN 86 N 1.13 0.55 -0.23 1.04 -1.07 -2.02 -0.98 115.58 114.00 2jps h ASN 86 Ca 0.39 0.01 -0.08 0.00 0.07 0.00 0.00 56.30 56.68 2jps h ASN 86 Cb 0.11 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 2jps h ASN 86 CO -0.14 0.35 -0.13 0.40 0.07 0.00 0.00 177.43 177.98 2jps h ILE 87 N 0.62 1.25 -0.75 6.14 1.08 -1.53 -2.77 117.51 121.55 2jps h ILE 87 Ca 0.30 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2jps h ILE 87 Cb 0.36 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2jps h ILE 87 CO -0.10 0.37 0.47 0.58 -0.69 0.00 0.00 178.15 178.79 2jps h VAL 88 N 0.58 1.20 -0.84 1.67 2.07 -1.13 -2.05 116.25 117.75 2jps h VAL 88 Ca 0.10 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.29 2jps h VAL 88 Cb 0.56 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2jps h VAL 88 CO 0.04 0.21 0.50 -1.28 0.02 0.00 0.00 177.57 177.05 2jps h SER 89 N 1.02 0.73 0.08 0.57 0.87 -1.38 0.33 113.55 115.78 2jps h SER 89 Ca 0.27 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 2jps h SER 89 Cb -0.07 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2jps h SER 89 CO -0.05 0.43 -0.42 0.50 -0.53 0.00 0.00 176.83 176.76 2jps h LYS 90 N 0.85 0.43 -0.29 2.24 1.63 -1.44 -2.60 116.57 117.39 2jps h LYS 90 Ca 0.40 -0.22 -0.18 0.00 -0.85 0.00 0.00 60.65 59.80 2jps h LYS 90 Cb 0.32 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2jps h LYS 90 CO -0.23 0.77 -0.52 0.82 -3.45 0.00 0.00 179.45 176.84 2jps h ILE 91 N 0.35 1.28 -0.77 2.00 1.08 -0.52 -1.26 117.51 119.67 2jps h ILE 91 Ca 0.03 -1.71 -0.03 0.00 -0.39 0.00 0.00 64.86 62.76 2jps h ILE 91 Cb 0.88 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 36.20 2jps h ILE 91 CO 0.07 0.56 0.37 -0.09 -0.69 0.00 0.00 178.15 178.37 2jps h ARG 92 N 0.65 1.10 -0.17 2.37 2.43 -0.31 0.78 114.38 121.24 2jps h ARG 92 Ca 0.02 -0.16 -0.21 0.00 -0.81 0.00 0.00 59.98 58.82 2jps h ARG 92 Cb 1.12 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2jps h ARG 92 CO 0.12 0.85 -0.74 0.52 -1.51 0.00 0.00 179.97 179.21 2jps h MET 93 N 1.09 0.77 -0.17 0.20 2.86 -1.38 -0.33 114.93 117.97 2jps h MET 93 Ca 0.27 -0.60 -0.18 0.00 -2.06 0.00 0.00 59.70 57.12 2jps h MET 93 Cb 0.11 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2jps h MET 93 CO -0.03 1.22 -0.63 1.98 1.06 0.00 0.00 176.91 180.50 2jps h MET 94 N 0.54 0.61 -0.16 1.72 1.85 -0.86 -1.45 114.93 117.18 2jps h MET 94 Ca -0.04 -0.42 -0.18 0.00 -0.61 0.00 0.00 59.70 58.45 2jps h MET 94 Cb 1.36 0.07 -0.00 0.00 0.43 0.00 0.00 31.60 33.45 2jps h MET 94 CO 0.15 1.04 -0.63 -0.91 -0.40 0.00 0.00 176.91 176.17 2jps h ASN 95 N 0.45 0.66 -0.18 1.39 2.35 0.59 -1.89 115.58 118.94 2jps h ASN 95 Ca -0.01 -0.39 -0.15 0.00 -0.55 0.00 0.00 56.30 55.20 2jps h ASN 95 Cb 1.20 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 2jps h ASN 95 CO 0.12 1.13 -0.44 0.00 -1.65 0.00 0.00 177.43 176.59 2jps h ALA 96 N 0.87 0.68 -0.46 -0.83 0.00 -1.01 -2.26 119.26 116.25 2jps h ALA 96 Ca -0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2jps h ALA 96 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2jps h ALA 96 CO 0.12 0.67 -0.21 1.96 0.00 0.00 0.00 179.25 181.79 2jps h GLN 97 N 0.59 0.96 -0.61 0.00 1.08 -1.22 0.83 115.11 116.75 2jps h GLN 97 Ca 0.04 -0.41 -0.05 0.00 -1.45 0.00 0.00 58.65 56.78 2jps h GLN 97 Cb 0.99 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 2jps h GLN 97 CO 0.09 1.08 0.19 0.77 -0.95 0.00 0.00 178.83 180.01 2jps h SER 98 N 0.80 0.85 -0.57 1.46 0.02 -1.27 -3.05 113.55 111.80 2jps h SER 98 Ca 0.10 -0.14 -0.40 0.00 -0.84 0.00 0.00 61.79 60.51 2jps h SER 98 Cb 0.79 -0.22 -0.28 0.00 0.14 0.00 0.00 62.40 62.83 2jps h SER 98 CO 0.07 0.80 -0.46 -0.11 -1.14 0.00 0.00 176.83 175.98 2jps n LEU 99 N -4.28 4.67 -2.45 5.07 7.94 -0.86 -4.75 117.00 122.34 2jps n LEU 99 Ca 0.05 -4.39 -0.25 0.00 -1.11 0.00 0.00 56.01 50.31 2jps n LEU 99 Cb 0.21 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.67 2jps n LEU 99 CO 0.40 1.78 0.17 0.61 -1.11 0.00 0.00 177.39 179.23 2jps n GLY 100 N -0.88 5.69 3.19 -3.96 0.00 0.29 -4.93 105.19 104.60 2jps n GLY 100 Ca 0.39 -2.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 2jps n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jps s GLN 101 N -3.52 3.08 -0.46 1.61 -0.44 -1.26 -4.84 119.66 113.83 2jps s GLN 101 Ca 0.47 -0.79 -0.23 0.00 -2.50 0.00 0.00 55.36 52.31 2jps s GLN 101 Cb 0.40 -2.78 0.03 0.00 -1.64 0.00 0.00 33.01 29.02 2jps s GLN 101 CO -0.15 -0.24 0.63 0.45 0.50 0.00 0.00 175.29 176.48 2jps n SER 102 N 4.68 -7.04 -2.34 6.67 2.88 -1.26 -4.96 113.62 112.26 2jps n SER 102 Ca -0.19 0.23 -0.18 0.00 -1.33 0.00 0.00 58.87 57.40 2jps n SER 102 Cb 0.50 -4.03 0.02 0.00 -0.75 0.00 0.00 64.21 59.95 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jps n ASP 103 N -0.41 3.82 -3.09 -3.46 2.03 -1.26 -5.01 116.55 109.17 2jps n ASP 103 Ca 0.03 -3.25 -0.18 0.00 0.52 0.00 0.00 54.79 51.91 2jps n ASP 103 Cb 0.55 -0.41 0.02 0.00 -0.72 0.00 0.00 41.12 40.56 2jps n ASP 103 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jps n ILE 104 N -0.60 -8.65 -0.18 5.18 5.41 -1.26 -5.22 119.36 114.04 2jps n ILE 104 Ca 0.32 0.56 0.00 0.00 1.00 0.00 0.00 62.75 64.63 2jps n ILE 104 Cb 0.87 -6.02 0.00 0.00 -0.71 0.00 0.00 39.64 33.78 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55