#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jps n SER 2 N 0.00 -1.02 -2.36 6.12 7.64 -1.26 -4.97 113.62 117.78 2jps n SER 2 Ca 0.00 0.54 -0.21 0.00 1.01 0.00 0.00 58.87 60.21 2jps n SER 2 Cb 0.00 1.13 0.02 0.00 -1.01 0.00 0.00 64.21 64.35 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jps n GLN 3 N -3.37 3.07 -0.18 1.43 1.13 -1.26 -4.84 117.38 113.36 2jps n GLN 3 Ca 0.00 -4.13 -0.08 0.00 -1.94 0.00 0.00 57.00 50.86 2jps n GLN 3 Cb 0.00 -2.08 0.07 0.00 0.11 0.00 0.00 30.24 28.34 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 2.47 0.99 -0.89 -1.09 4.57 -1.98 -1.75 114.58 116.90 2jps h GLU 4 Ca 0.24 -0.30 0.12 0.00 -1.18 0.00 0.00 59.36 58.23 2jps h GLU 4 Cb 1.23 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.66 2jps h GLU 4 CO 0.70 0.97 0.57 -0.56 -1.18 0.00 0.00 179.01 179.51 2jps h GLN 5 N 0.91 0.77 -0.05 1.92 3.07 -1.99 0.61 115.11 120.34 2jps h GLN 5 Ca 0.17 -0.05 -0.24 0.00 0.09 0.00 0.00 58.65 58.61 2jps h GLN 5 Cb 0.53 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 27.93 2jps h GLN 5 CO 0.03 0.51 -0.94 1.88 0.09 0.00 0.00 178.83 180.40 2jps h TYR 6 N 0.79 0.96 -0.66 0.06 -1.99 -1.88 -2.56 116.97 111.69 2jps h TYR 6 Ca 0.43 -0.49 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 2jps h TYR 6 Cb 0.55 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.13 2jps h TYR 6 CO -0.00 1.32 0.25 1.15 -0.00 0.00 0.00 178.16 180.88 2jps h THR 7 N 0.41 1.24 -0.48 -2.88 2.02 -0.14 0.85 112.91 113.93 2jps h THR 7 Ca -0.10 -0.78 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 2jps h THR 7 Cb 1.58 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2jps h THR 7 CO 0.18 0.31 0.11 -0.33 0.37 0.00 0.00 175.52 176.16 2jps h GLU 8 N 0.94 0.77 -0.29 6.66 5.08 0.12 0.16 114.58 128.03 2jps h GLU 8 Ca 0.22 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2jps h GLU 8 Cb 0.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2jps h GLU 8 CO -0.02 0.75 -0.52 -0.91 -1.00 0.00 0.00 179.01 177.32 2jps h ASN 9 N 0.65 0.95 -0.89 1.42 4.21 -1.19 -3.06 115.58 117.66 2jps h ASN 9 Ca 0.15 -0.53 -0.01 0.00 1.21 0.00 0.00 56.30 57.12 2jps h ASN 9 Cb 0.34 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 2jps h ASN 9 CO 0.00 1.30 0.52 -0.07 -1.29 0.00 0.00 177.43 177.89 2jps h LEU 10 N 0.64 1.09 -1.96 1.61 3.38 0.96 -1.68 115.31 119.34 2jps h LEU 10 Ca 0.02 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2jps h LEU 10 Cb 1.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2jps h LEU 10 CO 0.12 0.85 0.27 0.50 0.09 0.00 0.00 178.44 180.27 2jps h LYS 11 N 1.24 0.04 0.15 1.13 3.11 -0.57 0.88 116.57 122.55 2jps h LYS 11 Ca 0.32 -0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.94 2jps h LYS 11 Cb -0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.22 2jps h LYS 11 CO -0.06 0.03 -0.99 0.28 -2.81 0.00 0.00 179.45 175.90 2jps h VAL 12 N 0.04 1.42 -0.15 2.00 2.07 -1.34 -2.43 116.25 117.86 2jps h VAL 12 Ca 0.18 -2.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.06 2jps h VAL 12 Cb 0.66 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 2jps h VAL 12 CO -0.01 0.73 -0.35 0.40 0.02 0.00 0.00 177.57 178.36 2jps h ILE 13 N -0.29 1.29 -0.25 4.57 2.04 -0.74 -2.18 117.51 121.94 2jps h ILE 13 Ca -0.18 -1.40 -0.17 0.00 1.00 0.00 0.00 64.86 64.11 2jps h ILE 13 Cb 1.73 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 2jps h ILE 13 CO 0.16 0.43 -0.50 0.58 0.00 0.00 0.00 178.15 178.81 2jps h VAL 14 N 0.27 1.29 -0.31 1.67 2.07 0.68 -3.05 116.25 118.88 2jps h VAL 14 Ca 0.03 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 2jps h VAL 14 Cb 0.75 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2jps h VAL 14 CO 0.06 0.55 0.01 0.00 0.02 0.00 0.00 177.57 178.20 2jps h ALA 15 N 0.64 1.45 -0.91 1.67 0.00 -1.28 -2.30 119.26 118.53 2jps h ALA 15 Ca 0.01 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.90 2jps h ALA 15 Cb 1.11 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2jps h ALA 15 CO 0.11 0.39 0.59 1.49 0.00 0.00 0.00 179.25 181.83 2jps h GLU 16 N 0.45 0.64 0.17 0.00 4.81 -1.28 0.84 114.58 120.22 2jps h GLU 16 Ca 0.10 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 58.99 2jps h GLU 16 Cb 0.28 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jps h GLU 16 CO 0.01 0.43 -1.47 -0.22 -0.73 0.00 0.00 179.01 177.02 2jps h LYS 17 N 0.66 0.36 -0.05 1.92 1.63 -1.53 -2.81 116.57 116.75 2jps h LYS 17 Ca 0.47 -0.61 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2jps h LYS 17 Cb 0.82 0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2jps h LYS 17 CO -0.23 1.29 0.01 -0.07 -3.45 0.00 0.00 179.45 177.01 2jps h LEU 18 N -0.09 0.08 -1.88 5.20 3.38 -0.86 -1.52 115.31 119.61 2jps h LEU 18 Ca -0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2jps h LEU 18 Cb 1.94 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 2jps h LEU 18 CO 0.15 0.31 -0.12 0.00 0.09 0.00 0.00 178.44 178.87 2jps h ALA 19 N 0.77 1.55 0.01 1.53 0.00 0.54 -2.61 119.26 121.06 2jps h ALA 19 Ca 0.02 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 19 Cb 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jps h ALA 19 CO 0.00 0.15 -0.94 0.78 0.00 0.00 0.00 179.25 179.24 2jps h GLY 20 N 0.53 0.33 -5.04 0.00 0.00 -1.19 -3.46 103.07 94.26 2jps h GLY 20 Ca -0.00 -0.61 -0.62 0.00 0.00 0.00 0.00 47.33 46.09 2jps h GLY 20 CO 0.02 0.54 0.55 1.39 0.00 0.00 0.00 176.54 179.04 2jps n ILE 21 N -3.68 0.41 0.25 2.60 5.41 -0.61 -4.86 119.36 118.89 2jps n ILE 21 Ca -0.05 -0.10 0.13 0.00 1.00 0.00 0.00 62.75 63.73 2jps n ILE 21 Cb 0.84 -1.19 0.63 0.00 -0.71 0.00 0.00 39.64 39.21 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 4.63 0.00 -0.88 0.38 0.13 -1.88 -2.99 132.00 131.39 2jps h PRO 22 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 2jps h PRO 22 Cb 1.30 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 2jps h PRO 22 CO 0.79 0.12 0.52 0.09 -0.23 0.00 0.00 178.00 179.29 2jps n ASN 23 N -3.34 4.36 -3.70 1.44 4.13 -1.26 -4.79 115.26 112.10 2jps n ASN 23 Ca -0.00 -3.69 -0.29 0.00 1.68 0.00 0.00 54.58 52.28 2jps n ASN 23 Cb 0.33 -0.81 -0.13 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 -3.41 1.94 -0.23 3.10 2.19 -1.13 -4.95 117.98 115.48 2jps s PHE 24 Ca 0.56 -2.41 -0.09 0.00 0.33 0.00 0.00 56.93 55.32 2jps s PHE 24 Cb 0.47 -1.84 -0.11 0.00 -1.31 0.00 0.00 43.02 40.23 2jps s PHE 24 CO 0.06 -0.78 -0.28 0.09 1.83 0.00 0.00 175.22 176.14 2jps n ASN 25 N 3.51 1.79 -4.88 6.13 3.02 -1.26 -4.80 115.26 118.77 2jps n ASN 25 Ca 0.10 0.20 -0.21 0.00 -0.03 0.00 0.00 54.58 54.64 2jps n ASN 25 Cb 0.35 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jps s GLU 26 N -2.43 2.56 -1.50 3.52 2.02 -1.26 -4.58 118.70 117.03 2jps s GLU 26 Ca -0.32 -1.50 -0.13 0.00 0.02 0.00 0.00 54.97 53.04 2jps s GLU 26 Cb 0.12 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 32.03 2jps s GLU 26 CO 0.43 -0.17 0.85 -0.25 0.02 0.00 0.00 175.26 176.14 2jps n ASP 27 N -1.55 -4.67 -0.11 -0.19 8.00 -1.26 -4.88 116.55 111.90 2jps n ASP 27 Ca 0.03 -0.67 -0.16 0.00 0.71 0.00 0.00 54.79 54.70 2jps n ASP 27 Cb 0.61 -3.75 -0.13 0.00 -0.02 0.00 0.00 41.12 37.83 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jps n ILE 28 N -4.51 1.50 0.10 0.53 0.00 -1.26 -3.45 119.36 112.27 2jps n ILE 28 Ca 0.02 -0.66 -0.19 0.00 0.00 0.00 0.00 62.75 61.92 2jps n ILE 28 Cb 0.53 -1.20 -0.12 0.00 0.00 0.00 0.00 39.64 38.86 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 0.01 0.49 -0.01 9.51 3.64 -1.94 -3.11 116.57 125.16 2jps h LYS 29 Ca -0.55 -0.68 -0.13 0.00 -1.27 0.00 0.00 60.65 58.03 2jps h LYS 29 Cb 2.00 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 34.04 2jps h LYS 29 CO -0.04 1.30 -0.59 1.88 -2.27 0.00 0.00 179.45 179.73 2jps h TYR 30 N 0.21 0.05 0.00 1.91 0.05 -1.97 -3.03 116.97 114.18 2jps h TYR 30 Ca -0.16 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.51 2jps h TYR 30 Cb 1.89 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 39.61 2jps h TYR 30 CO 0.09 0.61 -0.44 -0.24 -1.05 0.00 0.00 178.16 177.14 2jps h VAL 31 N 0.03 1.09 -0.22 -2.88 3.04 -1.59 -3.05 116.25 112.67 2jps h VAL 31 Ca -0.01 -1.64 -0.16 0.00 -1.01 0.00 0.00 66.70 63.88 2jps h VAL 31 Cb 1.04 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.26 2jps h VAL 31 CO 0.08 0.43 -0.52 0.00 -1.01 0.00 0.00 177.57 176.55 2jps h ALA 32 N 1.56 0.68 -0.47 3.17 0.00 -1.46 -2.34 119.26 120.40 2jps h ALA 32 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2jps h ALA 32 Cb 0.91 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2jps h ALA 32 CO 0.06 0.68 0.28 0.93 0.00 0.00 0.00 179.25 181.20 2jps h GLU 33 N 0.49 0.56 -0.70 0.00 5.08 -1.52 0.60 114.58 119.09 2jps h GLU 33 Ca 0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2jps h GLU 33 Cb 1.07 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2jps h GLU 33 CO 0.10 0.37 0.20 -0.92 -1.00 0.00 0.00 179.01 177.76 2jps h TYR 34 N 0.57 1.14 -0.26 4.33 3.20 -1.53 0.39 116.97 124.81 2jps h TYR 34 Ca 0.18 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2jps h TYR 34 Cb -0.01 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2jps h TYR 34 CO -0.06 0.91 0.17 0.82 -1.64 0.00 0.00 178.16 178.36 2jps h ILE 35 N 1.05 1.06 -0.78 1.81 2.04 -0.77 -0.07 117.51 121.85 2jps h ILE 35 Ca 0.23 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 2jps h ILE 35 Cb 0.33 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2jps h ILE 35 CO -0.00 0.06 0.33 0.58 0.00 0.00 0.00 178.15 179.11 2jps h VAL 36 N 0.35 1.26 -0.56 1.67 2.07 -0.57 -0.53 116.25 119.93 2jps h VAL 36 Ca 0.10 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2jps h VAL 36 Cb -0.04 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 2jps h VAL 36 CO -0.02 0.33 0.33 0.25 0.02 0.00 0.00 177.57 178.47 2jps h LEU 37 N 1.14 0.52 -0.64 2.57 5.85 -0.17 0.46 115.31 125.02 2jps h LEU 37 Ca 0.26 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2jps h LEU 37 Cb 0.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2jps h LEU 37 CO -0.02 0.36 0.22 -0.07 -0.34 0.00 0.00 178.44 178.58 2jps h LEU 38 N 0.64 0.92 -0.34 2.25 3.38 -0.53 -0.55 115.31 121.09 2jps h LEU 38 Ca 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jps h LEU 38 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2jps h LEU 38 CO -0.12 0.87 0.17 0.40 0.09 0.00 0.00 178.44 179.85 2jps h ILE 39 N 0.92 1.15 -0.68 1.22 1.08 -0.05 -2.36 117.51 118.79 2jps h ILE 39 Ca 0.21 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.25 2jps h ILE 39 Cb 0.26 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 2jps h ILE 39 CO -0.01 0.15 0.35 0.58 -0.69 0.00 0.00 178.15 178.53 2jps h VAL 40 N 0.41 1.21 -0.77 1.67 2.07 0.16 -2.19 116.25 118.82 2jps h VAL 40 Ca 0.12 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.18 2jps h VAL 40 Cb 0.09 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2jps h VAL 40 CO -0.02 0.24 0.50 0.78 0.02 0.00 0.00 177.57 179.10 2jps h ASN 41 N 0.95 0.62 0.00 0.57 2.35 -0.56 -3.44 115.58 116.06 2jps h ASN 41 Ca 0.24 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2jps h ASN 41 Cb 0.06 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jps h ASN 41 CO -0.04 0.37 0.00 0.61 -1.65 0.00 0.00 177.43 176.72 2jps n GLY 42 N -1.46 -0.40 0.00 2.83 0.00 -0.84 -5.06 105.19 100.27 2jps n GLY 42 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.13 0.67 3.15 -0.02 0.00 -1.12 -4.98 105.19 101.76 2jps n GLY 43 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.89 3.12 0.37 2.61 -4.23 -1.26 -4.98 115.64 110.37 2jps s THR 44 Ca 0.00 -1.66 0.15 0.00 -1.18 0.00 0.00 61.69 59.00 2jps s THR 44 Cb 0.00 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.26 2jps s THR 44 CO 0.00 -0.35 1.77 0.58 -0.54 0.00 0.00 174.62 176.07 2jps h VAL 45 N 6.42 0.56 0.14 2.29 2.07 -1.96 0.93 116.25 126.69 2jps h VAL 45 Ca -0.17 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2jps h VAL 45 Cb 1.06 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2jps h VAL 45 CO 0.60 0.09 -0.07 -0.08 0.02 0.00 0.00 177.57 178.13 2jps h GLU 46 N 0.48 -0.18 -0.15 1.57 4.57 -1.98 0.81 114.58 119.70 2jps h GLU 46 Ca 0.60 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.64 2jps h GLU 46 Cb 1.35 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 2jps h GLU 46 CO -0.34 0.09 -0.52 1.03 -1.18 0.00 0.00 179.01 178.09 2jps h SER 47 N -0.45 0.47 0.23 1.04 0.87 -1.68 0.04 113.55 114.07 2jps h SER 47 Ca -0.02 -0.24 -0.18 0.00 -1.23 0.00 0.00 61.79 60.12 2jps h SER 47 Cb 0.36 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2jps h SER 47 CO 0.03 0.91 -0.68 0.58 -0.53 0.00 0.00 176.83 177.14 2jps h VAL 48 N 0.33 1.37 0.08 2.23 2.07 0.93 -1.05 116.25 122.21 2jps h VAL 48 Ca 0.01 -2.06 -0.26 0.00 0.82 0.00 0.00 66.70 65.21 2jps h VAL 48 Cb 1.03 2.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2jps h VAL 48 CO 0.09 0.62 -1.13 0.58 0.02 0.00 0.00 177.57 177.76 2jps h VAL 49 N 0.29 1.39 -0.19 2.57 2.07 0.73 -2.69 116.25 120.43 2jps h VAL 49 Ca -0.02 -2.63 -0.12 0.00 0.82 0.00 0.00 66.70 64.75 2jps h VAL 49 Cb 1.24 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 2jps h VAL 49 CO 0.12 0.78 -0.41 0.44 0.02 0.00 0.00 177.57 178.52 2jps h ASP 50 N 0.20 0.45 -0.31 0.57 3.32 -0.97 -1.52 116.42 118.16 2jps h ASP 50 Ca -0.13 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.55 2jps h ASP 50 Cb 1.80 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 2jps h ASP 50 CO 0.20 0.81 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.71 2jps h GLU 51 N 0.36 0.87 -0.40 3.56 5.08 -1.22 -1.53 114.58 121.31 2jps h GLU 51 Ca 0.03 -0.53 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 2jps h GLU 51 Cb 0.87 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2jps h GLU 51 CO 0.07 1.17 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.92 2jps h LEU 52 N 0.66 0.85 -0.52 1.33 3.38 -1.39 -2.55 115.31 117.07 2jps h LEU 52 Ca 0.03 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 2jps h LEU 52 Cb 1.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jps h LEU 52 CO 0.11 1.06 -0.23 0.00 0.09 0.00 0.00 178.44 179.47 2jps h ALA 53 N 1.00 0.72 -0.21 1.53 0.00 -1.23 0.83 119.26 121.89 2jps h ALA 53 Ca 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 53 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jps h ALA 53 CO 0.07 0.67 -0.05 1.03 0.00 0.00 0.00 179.25 180.96 2jps h SER 54 N 0.83 0.30 0.09 0.00 0.87 -1.15 -2.79 113.55 111.69 2jps h SER 54 Ca 0.11 -0.05 -0.36 0.00 -1.23 0.00 0.00 61.79 60.25 2jps h SER 54 Cb 0.80 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2jps h SER 54 CO 0.07 0.40 -2.04 -0.11 -0.53 0.00 0.00 176.83 174.62 2jps n LEU 55 N -4.31 2.62 -4.01 2.23 7.94 -0.97 -4.54 117.00 115.96 2jps n LEU 55 Ca 0.00 0.17 -0.39 0.00 -1.11 0.00 0.00 56.01 54.68 2jps n LEU 55 Cb 0.23 -1.06 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 2jps n LEU 55 CO 0.38 0.81 0.70 0.49 -1.11 0.00 0.00 177.39 178.66 2jps n PHE 56 N -3.55 3.62 0.80 1.96 3.72 0.29 -4.86 117.46 119.44 2jps n PHE 56 Ca -0.35 -3.51 0.09 0.00 -0.05 0.00 0.00 57.45 53.63 2jps n PHE 56 Cb 1.00 -1.21 0.45 0.00 -0.94 0.00 0.00 39.48 38.78 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 1.78 0.00 -1.21 4.37 2.03 -1.06 -3.18 116.55 119.28 2jps n ASP 57 Ca 0.25 0.20 0.05 0.00 0.52 0.00 0.00 54.79 55.81 2jps n ASP 57 Cb 0.37 -0.37 0.24 0.00 -0.72 0.00 0.00 41.12 40.64 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jps n SER 58 N -1.37 3.48 -4.44 1.67 2.88 -1.26 -4.91 113.62 109.68 2jps n SER 58 Ca 0.07 -2.40 -0.26 0.00 -1.33 0.00 0.00 58.87 54.96 2jps n SER 58 Cb 0.18 -0.52 -0.11 0.00 -0.75 0.00 0.00 64.21 63.00 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jps s VAL 59 N -1.87 2.39 0.44 2.46 1.01 -1.19 -5.13 120.40 118.50 2jps s VAL 59 Ca 0.33 -2.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.00 2jps s VAL 59 Cb 0.23 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 2jps s VAL 59 CO 0.13 -0.21 0.88 -0.44 0.00 0.00 0.00 175.10 175.46 2jps s SER 60 N -2.95 6.69 0.34 3.32 0.01 -1.26 -4.92 113.70 114.93 2jps s SER 60 Ca 0.24 1.43 0.06 0.00 1.31 0.00 0.00 55.95 58.99 2jps s SER 60 Cb -0.07 -2.44 0.72 0.00 0.21 0.00 0.00 66.02 64.44 2jps s SER 60 CO 0.11 -0.43 1.91 0.03 0.41 0.00 0.00 173.24 175.27 2jps h ARG 61 N 1.43 0.77 -0.30 12.44 2.47 -1.99 -1.01 114.38 128.20 2jps h ARG 61 Ca -0.47 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.12 2jps h ARG 61 Cb 1.18 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 2jps h ARG 61 CO 0.63 0.51 -0.15 0.22 0.56 0.00 0.00 179.97 181.74 2jps h ASP 62 N 0.79 0.50 -0.23 7.04 3.58 -1.97 0.26 116.42 126.40 2jps h ASP 62 Ca 0.39 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.55 2jps h ASP 62 Cb 0.45 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2jps h ASP 62 CO -0.16 0.68 -0.46 0.74 -2.88 0.00 0.00 179.24 177.16 2jps h THR 63 N 0.47 1.31 -0.25 2.25 2.02 -1.58 0.51 112.91 117.64 2jps h THR 63 Ca 0.08 -1.67 -0.17 0.00 0.77 0.00 0.00 66.41 65.42 2jps h THR 63 Cb 0.54 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2jps h THR 63 CO 0.03 0.53 -0.51 -0.07 0.37 0.00 0.00 175.52 175.87 2jps h LEU 64 N 0.43 0.87 -0.95 2.58 3.38 -1.23 -2.88 115.31 117.50 2jps h LEU 64 Ca 0.01 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 2jps h LEU 64 Cb 1.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2jps h LEU 64 CO 0.10 1.26 -0.08 0.00 0.09 0.00 0.00 178.44 179.81 2jps h ALA 65 N 0.64 1.13 -0.79 1.53 0.00 -0.48 -1.54 119.26 119.74 2jps h ALA 65 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jps h ALA 65 Cb 1.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2jps h ALA 65 CO 0.11 0.55 0.45 -0.91 0.00 0.00 0.00 179.25 179.45 2jps h ASN 66 N 0.62 0.97 -0.04 0.00 4.21 -0.80 0.17 115.58 120.71 2jps h ASN 66 Ca 0.11 -0.08 -0.19 0.00 1.21 0.00 0.00 56.30 57.35 2jps h ASN 66 Cb 0.51 -0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 2jps h ASN 66 CO 0.03 0.77 -0.66 0.58 -1.29 0.00 0.00 177.43 176.86 2jps h VAL 67 N 1.09 1.31 -0.23 2.81 2.07 -1.28 -2.79 116.25 119.22 2jps h VAL 67 Ca 0.28 -1.92 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 2jps h VAL 67 Cb 0.00 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2jps h VAL 67 CO -0.05 0.60 -0.19 0.58 0.02 0.00 0.00 177.57 178.53 2jps h VAL 68 N 0.48 1.24 -0.09 2.57 2.07 -0.89 -2.77 116.25 118.86 2jps h VAL 68 Ca -0.02 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2jps h VAL 68 Cb 1.25 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2jps h VAL 68 CO 0.13 0.34 0.02 1.56 0.02 0.00 0.00 177.57 179.64 2jps h GLN 69 N 0.36 0.14 -0.02 1.57 1.08 -0.52 -1.78 115.11 115.95 2jps h GLN 69 Ca 0.06 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2jps h GLN 69 Cb 0.54 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2jps h GLN 69 CO 0.04 0.34 0.01 0.00 -0.95 0.00 0.00 178.83 178.27 2jps h THR 70 N -0.08 0.98 -0.11 -0.54 1.03 -1.38 0.26 112.91 113.06 2jps h THR 70 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.22 2jps h THR 70 Cb 0.26 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 2jps h THR 70 CO 0.00 0.00 -0.75 0.00 -0.01 0.00 0.00 175.52 174.76 2jps h ALA 71 N 1.99 0.46 -0.06 0.00 0.00 -1.19 0.16 119.26 120.62 2jps h ALA 71 Ca 0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2jps h ALA 71 Cb 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jps h ALA 71 CO -0.00 0.73 -0.02 0.74 0.00 0.00 0.00 179.25 180.70 2jps h PHE 72 N 0.40 0.13 -0.87 0.00 -1.00 -0.37 -1.91 116.94 113.32 2jps h PHE 72 Ca -0.04 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.68 2jps h PHE 72 Cb 1.35 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.84 2jps h PHE 72 CO 0.06 0.47 0.45 0.35 -1.61 0.00 0.00 178.31 178.03 2jps h PHE 73 N -0.25 1.23 -0.82 -0.55 3.57 -1.01 -2.13 116.94 116.99 2jps h PHE 73 Ca 0.01 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.51 2jps h PHE 73 Cb 0.44 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2jps h PHE 73 CO 0.06 0.87 0.54 0.00 -2.23 0.00 0.00 178.31 177.55 2jps h ALA 74 N 1.24 1.55 -0.98 2.41 0.00 -0.52 -1.58 119.26 121.38 2jps h ALA 74 Ca 0.30 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.28 2jps h ALA 74 Cb 0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 2jps h ALA 74 CO -0.04 0.35 0.61 -0.07 0.00 0.00 0.00 179.25 180.10 2jps h LEU 75 N 0.96 0.93 -0.27 0.00 -0.00 -0.64 0.74 115.31 117.03 2jps h LEU 75 Ca 0.34 0.03 -0.18 0.00 -0.00 0.00 0.00 57.88 58.07 2jps h LEU 75 Cb 0.12 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2jps h LEU 75 CO -0.11 0.54 -0.55 -0.08 -0.00 0.00 0.00 178.44 178.24 2jps h GLU 76 N 1.03 0.84 -0.36 1.13 4.81 -1.31 -1.60 114.58 119.13 2jps h GLU 76 Ca 0.46 -0.55 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 76 Cb 0.36 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2jps h GLU 76 CO -0.23 1.18 -0.32 0.00 -0.73 0.00 0.00 179.01 178.91 2jps h ALA 77 N 0.66 0.77 -0.53 2.92 0.00 -0.69 -2.90 119.26 119.49 2jps h ALA 77 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2jps h ALA 77 Cb 1.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2jps h ALA 77 CO 0.12 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.83 2jps h LEU 78 N 0.66 1.02 -1.74 0.00 3.38 0.49 -1.29 115.31 117.83 2jps h LEU 78 Ca 0.07 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jps h LEU 78 Cb 0.86 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2jps h LEU 78 CO 0.07 1.14 0.20 1.56 0.09 0.00 0.00 178.44 181.50 2jps h GLN 79 N 0.90 0.34 0.09 1.13 4.20 -1.15 -2.99 115.11 117.64 2jps h GLN 79 Ca 0.14 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 2jps h GLN 79 Cb 0.69 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2jps h GLN 79 CO 0.05 0.23 -0.93 1.96 -0.67 0.00 0.00 178.83 179.47 2jps h GLN 80 N 0.35 0.20 0.00 1.46 4.20 -1.29 -3.49 115.11 116.53 2jps h GLN 80 Ca 0.12 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2jps h GLN 80 Cb 0.03 0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2jps h GLN 80 CO -0.03 1.16 0.00 0.41 -0.67 0.00 0.00 178.83 179.71 2jps n GLY 81 N 1.66 0.25 3.65 3.46 0.00 -0.51 -5.13 105.19 108.56 2jps n GLY 81 Ca -0.19 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 2.03 -0.09 1.61 2.56 -1.15 -4.99 118.70 118.68 2jps s GLU 82 Ca 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 54.97 52.95 2jps s GLU 82 Cb 0.00 -1.74 -0.03 0.00 2.00 0.00 0.00 34.13 34.36 2jps s GLU 82 CO 0.00 -0.06 -0.09 -1.12 -0.56 0.00 0.00 175.26 173.43 2jps s SER 83 N -3.76 4.43 -0.20 -1.70 0.01 -1.26 -4.94 113.70 106.28 2jps s SER 83 Ca 0.37 -0.13 0.12 0.00 1.31 0.00 0.00 55.95 57.62 2jps s SER 83 Cb 0.08 -1.27 -0.23 0.00 0.21 0.00 0.00 66.02 64.81 2jps s SER 83 CO 0.19 0.29 0.06 0.00 0.41 0.00 0.00 173.24 174.20 2jps n ALA 84 N 2.67 1.45 -0.31 1.44 0.00 -1.26 -4.40 120.51 120.11 2jps n ALA 84 Ca -0.18 -1.18 0.07 0.00 0.00 0.00 0.00 53.44 52.15 2jps n ALA 84 Cb 0.53 -0.25 0.28 0.00 0.00 0.00 0.00 19.45 20.00 2jps n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jps h GLU 85 N 0.00 0.91 -0.83 0.00 5.08 -1.95 -1.32 114.58 116.47 2jps h GLU 85 Ca -0.53 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2jps h GLU 85 Cb 2.12 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 31.12 2jps h GLU 85 CO 0.00 0.60 0.54 -0.91 -1.00 0.00 0.00 179.01 178.25 2jps h ASN 86 N 0.93 0.90 -0.44 1.42 2.35 -2.02 -1.72 115.58 117.00 2jps h ASN 86 Ca 0.43 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 2jps h ASN 86 Cb 0.39 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2jps h ASN 86 CO -0.19 0.62 0.15 0.40 -1.65 0.00 0.00 177.43 176.77 2jps h ILE 87 N 1.05 1.20 -0.87 2.81 2.04 -1.46 -2.50 117.51 119.78 2jps h ILE 87 Ca 0.32 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.52 2jps h ILE 87 Cb -0.00 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2jps h ILE 87 CO -0.09 0.26 0.57 0.58 0.00 0.00 0.00 178.15 179.48 2jps h VAL 88 N 0.73 1.14 -0.85 1.67 2.07 -1.23 -1.75 116.25 118.03 2jps h VAL 88 Ca 0.17 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jps h VAL 88 Cb 0.22 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.90 2jps h VAL 88 CO -0.01 0.20 0.53 -1.28 0.02 0.00 0.00 177.57 177.03 2jps h SER 89 N 1.09 0.84 0.11 0.57 0.87 -1.40 0.57 113.55 116.20 2jps h SER 89 Ca 0.35 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.81 2jps h SER 89 Cb 0.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2jps h SER 89 CO -0.10 0.55 -0.37 0.11 -0.53 0.00 0.00 176.83 176.49 2jps h LYS 90 N 0.98 0.35 -0.28 2.24 1.57 -1.37 -2.52 116.57 117.55 2jps h LYS 90 Ca 0.36 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 2jps h LYS 90 Cb 0.13 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2jps h LYS 90 CO -0.16 0.68 -0.52 0.82 -0.57 0.00 0.00 179.45 179.69 2jps h ILE 91 N 0.30 1.29 -0.76 1.86 1.08 -0.57 0.82 117.51 121.53 2jps h ILE 91 Ca 0.03 -1.72 -0.06 0.00 -0.39 0.00 0.00 64.86 62.73 2jps h ILE 91 Cb 0.79 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.13 2jps h ILE 91 CO 0.06 0.56 0.24 -0.09 -0.69 0.00 0.00 178.15 178.23 2jps h ARG 92 N 0.62 1.17 -0.11 2.37 2.43 -0.80 0.67 114.38 120.73 2jps h ARG 92 Ca 0.02 -0.25 -0.23 0.00 -0.81 0.00 0.00 59.98 58.71 2jps h ARG 92 Cb 1.11 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2jps h ARG 92 CO 0.11 0.99 -0.85 0.52 -1.51 0.00 0.00 179.97 179.23 2jps h MET 93 N 1.12 0.75 -0.26 0.20 2.86 -1.38 -1.92 114.93 116.30 2jps h MET 93 Ca 0.24 -0.66 -0.14 0.00 -2.06 0.00 0.00 59.70 57.09 2jps h MET 93 Cb 0.30 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2jps h MET 93 CO -0.01 1.26 -0.39 0.52 1.06 0.00 0.00 176.91 179.34 2jps h MET 94 N 0.49 0.62 -0.30 1.72 2.86 -0.57 -1.36 114.93 118.37 2jps h MET 94 Ca -0.07 -0.31 -0.16 0.00 -2.06 0.00 0.00 59.70 57.10 2jps h MET 94 Cb 1.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 2jps h MET 94 CO 0.17 0.90 -0.44 -0.91 1.06 0.00 0.00 176.91 177.69 2jps h ASN 95 N 0.51 0.84 -0.35 1.22 2.35 0.37 -1.71 115.58 118.81 2jps h ASN 95 Ca 0.04 -0.40 -0.15 0.00 -0.55 0.00 0.00 56.30 55.24 2jps h ASN 95 Cb 0.91 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2jps h ASN 95 CO 0.08 1.16 -0.35 0.00 -1.65 0.00 0.00 177.43 176.67 2jps h ALA 96 N 0.87 0.65 -0.64 -0.83 0.00 -1.24 -2.66 119.26 115.41 2jps h ALA 96 Ca 0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2jps h ALA 96 Cb 1.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jps h ALA 96 CO 0.10 0.67 0.04 0.37 0.00 0.00 0.00 179.25 180.43 2jps h GLN 97 N 0.74 1.09 -0.72 0.00 -0.00 -1.18 0.52 115.11 115.57 2jps h GLN 97 Ca 0.07 -0.33 -0.01 0.00 -0.00 0.00 0.00 58.65 58.38 2jps h GLN 97 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.26 2jps h GLN 97 CO 0.09 1.04 0.39 1.03 0.00 0.00 0.00 178.83 181.38 2jps h SER 98 N 1.00 0.89 -0.59 -0.69 0.87 -1.21 -2.94 113.55 110.89 2jps h SER 98 Ca 0.19 -0.07 -0.42 0.00 -1.23 0.00 0.00 61.79 60.26 2jps h SER 98 Cb 0.52 -0.23 -0.29 0.00 -0.44 0.00 0.00 62.40 61.96 2jps h SER 98 CO 0.02 0.72 -0.47 0.18 -0.53 0.00 0.00 176.83 176.75 2jps n LEU 99 N -4.36 4.74 -2.74 2.23 4.77 -1.01 -4.70 117.00 115.93 2jps n LEU 99 Ca 0.07 -4.42 -0.05 0.00 -0.03 0.00 0.00 56.01 51.58 2jps n LEU 99 Cb 0.10 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.76 2jps n LEU 99 CO 0.38 1.80 0.04 0.61 -1.33 0.00 0.00 177.39 178.88 2jps n GLY 100 N -0.86 1.64 3.06 -0.72 0.00 0.18 -4.95 105.19 103.54 2jps n GLY 100 Ca 0.40 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -2.86 2.13 -1.22 1.61 -1.52 -1.26 -4.79 119.66 111.75 2jps s GLN 101 Ca 0.25 -1.40 -0.09 0.00 -1.95 0.00 0.00 55.36 52.17 2jps s GLN 101 Cb 0.40 -2.92 -0.01 0.00 -0.22 0.00 0.00 33.01 30.26 2jps s GLN 101 CO -0.02 -0.61 0.73 0.43 -0.25 0.00 0.00 175.29 175.57 2jps n SER 102 N 4.42 -3.41 -4.21 5.90 7.64 -1.26 -4.98 113.62 117.71 2jps n SER 102 Ca -0.12 -0.90 -0.33 0.00 1.01 0.00 0.00 58.87 58.52 2jps n SER 102 Cb 0.42 -3.84 -0.15 0.00 -1.01 0.00 0.00 64.21 59.63 2jps n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jps s ASP 103 N -3.89 3.56 -0.70 6.43 1.01 -1.26 -5.06 116.67 116.76 2jps s ASP 103 Ca 0.25 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 53.00 2jps s ASP 103 Cb -0.07 -1.56 0.17 0.00 1.01 0.00 0.00 42.92 42.47 2jps s ASP 103 CO 0.83 0.03 0.50 -0.63 0.21 0.00 0.00 175.17 176.11 2jps s ILE 104 N 1.14 3.26 0.00 0.77 1.01 -1.26 -5.12 121.20 121.00 2jps s ILE 104 Ca 0.01 -3.82 0.00 0.00 0.00 0.00 0.00 60.65 56.84 2jps s ILE 104 Cb -0.14 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2jps s ILE 104 CO -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 174.94 173.92