#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 0.18 -0.42 7.83 0.01 -1.26 -5.06 113.70 114.98 2jps s SER 2 Ca 0.00 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.83 2jps s SER 2 Cb 0.00 0.18 0.44 0.00 0.21 0.00 0.00 66.02 66.85 2jps s SER 2 CO 0.00 -0.41 1.37 0.00 0.41 0.00 0.00 173.24 174.60 2jps n GLN 3 N 1.16 3.37 -0.37 12.44 3.00 -1.26 -4.79 117.38 130.92 2jps n GLN 3 Ca -0.21 -4.06 -0.01 0.00 -0.01 0.00 0.00 57.00 52.71 2jps n GLN 3 Cb 0.57 -2.27 0.13 0.00 0.00 0.00 0.00 30.24 28.66 2jps n GLN 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2jps h GLU 4 N 2.30 1.27 -0.89 -1.09 5.08 -1.98 -0.99 114.58 118.28 2jps h GLU 4 Ca 0.41 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.80 2jps h GLU 4 Cb 1.18 -0.29 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 2jps h GLU 4 CO 0.96 0.84 0.57 -0.56 -1.00 0.00 0.00 179.01 179.82 2jps h GLN 5 N 1.30 0.79 -0.08 2.33 3.07 -2.00 0.19 115.11 120.72 2jps h GLN 5 Ca 0.39 -0.05 -0.22 0.00 0.09 0.00 0.00 58.65 58.86 2jps h GLN 5 Cb -0.06 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 27.32 2jps h GLN 5 CO -0.11 0.52 -0.83 1.88 0.09 0.00 0.00 178.83 180.38 2jps h TYR 6 N 0.81 0.81 -0.87 0.06 0.05 -1.68 -2.57 116.97 113.58 2jps h TYR 6 Ca 0.42 -0.38 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 2jps h TYR 6 Cb 0.51 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 2jps h TYR 6 CO -0.00 1.19 0.48 1.15 -1.05 0.00 0.00 178.16 179.93 2jps h THR 7 N 0.37 1.25 -0.38 -2.88 2.02 0.30 0.94 112.91 114.53 2jps h THR 7 Ca -0.06 -0.63 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 2jps h THR 7 Cb 1.45 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2jps h THR 7 CO 0.16 0.28 -0.30 -0.33 0.37 0.00 0.00 175.52 175.70 2jps h GLU 8 N 1.22 0.88 -0.13 6.66 5.08 -0.71 0.18 114.58 127.75 2jps h GLU 8 Ca 0.31 -0.43 -0.21 0.00 -1.00 0.00 0.00 59.36 58.02 2jps h GLU 8 Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jps h GLU 8 CO -0.05 1.08 -0.76 -0.91 -1.00 0.00 0.00 179.01 177.37 2jps h ASN 9 N 0.68 0.80 -0.34 1.42 4.21 -1.11 -3.03 115.58 118.22 2jps h ASN 9 Ca 0.07 -0.52 -0.12 0.00 1.21 0.00 0.00 56.30 56.93 2jps h ASN 9 Cb 0.88 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 2jps h ASN 9 CO 0.08 1.31 -0.24 0.25 -1.29 0.00 0.00 177.43 177.53 2jps h LEU 10 N 0.46 0.86 -1.54 1.61 5.85 0.98 -2.57 115.31 120.97 2jps h LEU 10 Ca -0.04 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.38 2jps h LEU 10 Cb 1.37 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2jps h LEU 10 CO 0.15 1.06 0.34 0.50 -0.34 0.00 0.00 178.44 180.16 2jps h LYS 11 N 0.72 0.60 -0.08 1.25 3.11 -0.61 0.31 116.57 121.87 2jps h LYS 11 Ca 0.09 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.83 2jps h LYS 11 Cb 0.78 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 2jps h LYS 11 CO 0.06 0.40 -0.21 0.28 -2.81 0.00 0.00 179.45 177.17 2jps h VAL 12 N 0.62 1.41 -0.52 2.00 2.07 -1.37 -1.74 116.25 118.72 2jps h VAL 12 Ca 0.21 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 2jps h VAL 12 Cb 0.06 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2jps h VAL 12 CO -0.05 0.44 0.07 0.40 0.02 0.00 0.00 177.57 178.45 2jps h ILE 13 N -0.19 1.23 -0.55 4.57 2.04 -1.04 -2.47 117.51 121.11 2jps h ILE 13 Ca -0.00 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2jps h ILE 13 Cb 0.81 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2jps h ILE 13 CO 0.05 0.33 0.06 0.58 0.00 0.00 0.00 178.15 179.17 2jps h VAL 14 N 0.78 1.26 -0.61 1.67 2.07 -0.38 -2.61 116.25 118.43 2jps h VAL 14 Ca 0.16 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.70 2jps h VAL 14 Cb 0.37 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2jps h VAL 14 CO 0.01 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.36 2jps h ALA 15 N 0.98 1.65 -0.88 1.67 0.00 -0.93 -1.74 119.26 120.02 2jps h ALA 15 Ca 0.16 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2jps h ALA 15 Cb 0.45 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2jps h ALA 15 CO 0.02 0.29 0.57 1.49 0.00 0.00 0.00 179.25 181.61 2jps h GLU 16 N 0.74 0.78 0.01 0.00 4.81 -1.05 0.87 114.58 120.73 2jps h GLU 16 Ca 0.24 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2jps h GLU 16 Cb 0.05 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2jps h GLU 16 CO -0.06 0.52 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.51 2jps h LYS 17 N 0.80 -0.01 0.07 1.92 1.63 -1.37 -2.10 116.57 117.52 2jps h LYS 17 Ca 0.42 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.21 2jps h LYS 17 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2jps h LYS 17 CO -0.18 0.85 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.56 2jps h LEU 18 N -0.91 -0.08 -2.21 5.20 3.38 -1.15 -0.10 115.31 119.44 2jps h LEU 18 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2jps h LEU 18 Cb 0.86 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2jps h LEU 18 CO 0.00 0.05 -0.03 0.00 0.09 0.00 0.00 178.44 178.55 2jps h ALA 19 N 0.71 1.64 0.11 1.53 0.00 0.62 -2.23 119.26 121.65 2jps h ALA 19 Ca -0.01 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 2jps h ALA 19 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jps h ALA 19 CO 0.02 0.04 -1.19 0.78 0.00 0.00 0.00 179.25 178.89 2jps h GLY 20 N 0.14 0.32 -4.98 0.00 0.00 -0.68 -3.46 103.07 94.41 2jps h GLY 20 Ca -0.00 -0.77 -0.61 0.00 0.00 0.00 0.00 47.33 45.95 2jps h GLY 20 CO 0.00 0.68 0.63 1.39 0.00 0.00 0.00 176.54 179.25 2jps n ILE 21 N -3.56 0.33 0.28 2.60 5.41 -0.11 -4.85 119.36 119.46 2jps n ILE 21 Ca -0.08 -0.08 0.17 0.00 1.00 0.00 0.00 62.75 63.76 2jps n ILE 21 Cb 1.00 -1.32 0.77 0.00 -0.71 0.00 0.00 39.64 39.37 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 4.98 0.00 -0.89 0.38 0.13 -1.88 -2.95 132.00 131.77 2jps h PRO 22 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 2jps h PRO 22 Cb 1.28 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.14 2jps h PRO 22 CO 0.82 0.03 0.54 -1.71 -0.23 0.00 0.00 178.00 177.44 2jps n ASN 23 N -3.16 4.19 -3.78 1.44 2.85 -1.26 -4.81 115.26 110.74 2jps n ASN 23 Ca -0.00 -3.67 -0.30 0.00 -0.11 0.00 0.00 54.58 50.50 2jps n ASN 23 Cb 0.27 -0.82 -0.14 0.00 1.24 0.00 0.00 39.78 40.33 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2jps s PHE 24 N -3.38 2.23 -0.17 1.20 2.19 -1.12 -4.96 117.98 113.98 2jps s PHE 24 Ca 0.56 -2.40 -0.09 0.00 0.33 0.00 0.00 56.93 55.34 2jps s PHE 24 Cb 0.47 -2.06 -0.07 0.00 -1.31 0.00 0.00 43.02 40.05 2jps s PHE 24 CO 0.07 -0.82 -0.22 -1.71 1.83 0.00 0.00 175.22 174.37 2jps n ASN 25 N 3.90 1.23 -4.87 6.13 2.85 -1.26 -4.81 115.26 118.43 2jps n ASN 25 Ca 0.05 0.21 -0.21 0.00 -0.11 0.00 0.00 54.58 54.53 2jps n ASN 25 Cb 0.37 -0.51 -0.03 0.00 1.24 0.00 0.00 39.78 40.84 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2jps s GLU 26 N -2.32 2.65 -1.51 1.20 2.12 -1.26 -4.57 118.70 115.01 2jps s GLU 26 Ca -0.24 -1.39 -0.13 0.00 0.36 0.00 0.00 54.97 53.57 2jps s GLU 26 Cb 0.09 -2.45 0.08 0.00 0.26 0.00 0.00 34.13 32.12 2jps s GLU 26 CO 0.30 -0.03 0.86 -0.25 -0.54 0.00 0.00 175.26 175.60 2jps n ASP 27 N -1.46 -4.64 -0.10 -1.70 9.92 -1.26 -4.88 116.55 112.43 2jps n ASP 27 Ca 0.01 -0.69 -0.18 0.00 -0.53 0.00 0.00 54.79 53.40 2jps n ASP 27 Cb 0.60 -3.73 -0.13 0.00 -0.64 0.00 0.00 41.12 37.22 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jps n ILE 28 N -4.53 1.54 -0.09 0.53 0.00 -1.26 -3.66 119.36 111.89 2jps n ILE 28 Ca 0.03 -0.62 -0.14 0.00 0.00 0.00 0.00 62.75 62.02 2jps n ILE 28 Cb 0.53 -1.38 -0.04 0.00 0.00 0.00 0.00 39.64 38.74 2jps n ILE 28 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2jps h LYS 29 N 0.01 0.73 -0.58 9.51 1.57 -1.94 -2.92 116.57 122.95 2jps h LYS 29 Ca -0.54 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 57.79 2jps h LYS 29 Cb 1.96 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 2jps h LYS 29 CO -0.04 1.03 0.16 1.88 -0.57 0.00 0.00 179.45 181.91 2jps h TYR 30 N 0.47 0.91 -0.94 -1.35 0.05 -1.98 -2.55 116.97 111.59 2jps h TYR 30 Ca 0.04 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.75 2jps h TYR 30 Cb 0.92 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.35 2jps h TYR 30 CO 0.08 0.75 0.62 0.28 -1.05 0.00 0.00 178.16 178.83 2jps h VAL 31 N 0.86 1.24 -0.14 -2.88 2.07 -1.60 0.64 116.25 116.44 2jps h VAL 31 Ca 0.19 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2jps h VAL 31 Cb 0.28 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2jps h VAL 31 CO -0.01 0.23 0.06 0.00 0.02 0.00 0.00 177.57 177.87 2jps h ALA 32 N 1.34 0.18 -0.59 1.67 0.00 -1.27 0.41 119.26 121.01 2jps h ALA 32 Ca 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jps h ALA 32 Cb -0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jps h ALA 32 CO -0.08 -0.23 0.36 1.49 0.00 0.00 0.00 179.25 180.79 2jps h GLU 33 N 0.07 0.80 -0.61 0.00 4.81 -1.18 0.28 114.58 118.75 2jps h GLU 33 Ca 0.05 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2jps h GLU 33 Cb 0.17 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2jps h GLU 33 CO -0.00 0.57 0.21 -0.92 -0.73 0.00 0.00 179.01 178.13 2jps h TYR 34 N 0.80 0.95 -0.12 0.92 3.20 -0.63 0.19 116.97 122.28 2jps h TYR 34 Ca 0.21 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jps h TYR 34 Cb -0.03 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2jps h TYR 34 CO -0.02 0.78 0.05 0.82 -1.64 0.00 0.00 178.16 178.14 2jps h ILE 35 N 0.85 1.14 -0.92 1.81 2.04 0.45 -0.81 117.51 122.07 2jps h ILE 35 Ca 0.20 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2jps h ILE 35 Cb 0.25 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2jps h ILE 35 CO -0.01 0.12 0.53 0.58 0.00 0.00 0.00 178.15 179.38 2jps h VAL 36 N 0.04 1.26 -0.74 1.67 2.07 -0.23 0.64 116.25 120.96 2jps h VAL 36 Ca 0.04 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2jps h VAL 36 Cb 0.15 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 2jps h VAL 36 CO -0.00 0.28 0.47 0.25 0.02 0.00 0.00 177.57 178.59 2jps h LEU 37 N 1.28 0.77 -0.51 2.57 5.85 -0.23 0.63 115.31 125.67 2jps h LEU 37 Ca 0.33 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 2jps h LEU 37 Cb -0.02 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2jps h LEU 37 CO -0.06 0.53 0.10 -0.07 -0.34 0.00 0.00 178.44 178.60 2jps h LEU 38 N 0.91 0.79 -0.13 2.25 3.38 -0.30 0.20 115.31 122.41 2jps h LEU 38 Ca 0.30 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jps h LEU 38 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jps h LEU 38 CO -0.11 0.84 0.08 0.40 0.09 0.00 0.00 178.44 179.74 2jps h ILE 39 N 0.71 1.08 -0.51 1.22 1.08 0.21 -2.18 117.51 119.12 2jps h ILE 39 Ca 0.16 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 2jps h ILE 39 Cb 0.37 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2jps h ILE 39 CO 0.01 0.07 0.19 0.58 -0.69 0.00 0.00 178.15 178.31 2jps h VAL 40 N 0.13 1.19 -0.64 1.67 2.07 0.43 -2.42 116.25 118.69 2jps h VAL 40 Ca 0.05 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jps h VAL 40 Cb 0.05 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2jps h VAL 40 CO -0.01 0.24 0.42 0.78 0.02 0.00 0.00 177.57 179.02 2jps h ASN 41 N 0.72 0.70 0.00 0.57 2.35 0.01 -3.45 115.58 116.48 2jps h ASN 41 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2jps h ASN 41 Cb 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2jps h ASN 41 CO -0.01 0.50 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 2jps n GLY 42 N -1.44 -1.62 0.00 2.83 0.00 -0.92 -5.08 105.19 98.96 2jps n GLY 42 Ca 0.07 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.23 0.66 3.07 -0.02 0.00 -1.19 -4.97 105.19 101.50 2jps n GLY 43 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.41 2.14 0.45 2.61 -4.23 -1.26 -5.00 115.64 109.94 2jps s THR 44 Ca 0.00 -1.59 0.21 0.00 -1.18 0.00 0.00 61.69 59.13 2jps s THR 44 Cb 0.00 -2.24 0.40 0.00 1.34 0.00 0.00 72.50 72.00 2jps s THR 44 CO 0.00 -0.01 1.88 0.58 -0.54 0.00 0.00 174.62 176.53 2jps h VAL 45 N 6.73 0.67 0.39 2.29 2.07 -1.96 0.83 116.25 127.27 2jps h VAL 45 Ca -0.20 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2jps h VAL 45 Cb 1.05 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2jps h VAL 45 CO 0.47 0.05 -0.19 -0.08 0.02 0.00 0.00 177.57 177.84 2jps h GLU 46 N 0.29 -0.50 -0.33 1.57 4.22 -1.97 0.51 114.58 118.37 2jps h GLU 46 Ca 0.44 0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.84 2jps h GLU 46 Cb 1.24 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2jps h GLU 46 CO -0.12 -0.22 -0.10 1.03 -2.18 0.00 0.00 179.01 177.42 2jps h SER 47 N -1.04 0.53 -0.17 1.04 0.87 -1.89 0.50 113.55 113.40 2jps h SER 47 Ca -0.05 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.30 2jps h SER 47 Cb 0.51 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2jps h SER 47 CO 0.09 0.67 -0.16 0.58 -0.53 0.00 0.00 176.83 177.48 2jps h VAL 48 N 0.51 1.34 -0.25 2.23 2.07 0.66 -1.55 116.25 121.26 2jps h VAL 48 Ca 0.10 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.13 2jps h VAL 48 Cb 0.48 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jps h VAL 48 CO 0.03 0.39 -0.55 0.58 0.02 0.00 0.00 177.57 178.04 2jps h VAL 49 N 0.05 1.29 -0.16 2.57 2.07 0.22 -2.89 116.25 119.39 2jps h VAL 49 Ca 0.03 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 2jps h VAL 49 Cb 0.69 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2jps h VAL 49 CO 0.04 0.56 0.04 0.44 0.02 0.00 0.00 177.57 178.67 2jps h ASP 50 N 0.58 0.20 -0.39 0.57 3.32 0.01 -0.43 116.42 120.28 2jps h ASP 50 Ca 0.01 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2jps h ASP 50 Cb 1.14 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2jps h ASP 50 CO 0.12 0.22 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.22 2jps h GLU 51 N 0.23 0.89 -0.18 3.56 4.39 -1.07 -0.16 114.58 122.25 2jps h GLU 51 Ca 0.06 -0.44 -0.22 0.00 0.34 0.00 0.00 59.36 59.10 2jps h GLU 51 Cb 0.10 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2jps h GLU 51 CO -0.00 1.09 -0.74 -0.07 -1.16 0.00 0.00 179.01 178.12 2jps h LEU 52 N 0.71 0.96 -0.99 1.33 -0.00 -1.36 -3.12 115.31 112.84 2jps h LEU 52 Ca 0.07 -0.61 -0.05 0.00 -0.00 0.00 0.00 57.88 57.29 2jps h LEU 52 Cb 0.88 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2jps h LEU 52 CO 0.08 1.41 0.14 0.00 -0.00 0.00 0.00 178.44 180.07 2jps h ALA 53 N 0.57 1.18 -0.63 1.53 0.00 -1.04 1.13 119.26 122.00 2jps h ALA 53 Ca -0.04 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2jps h ALA 53 Cb 1.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jps h ALA 53 CO 0.16 0.56 0.42 0.77 0.00 0.00 0.00 179.25 181.15 2jps h SER 54 N 0.84 0.63 0.02 0.00 0.02 -0.96 -2.63 113.55 111.46 2jps h SER 54 Ca 0.18 -0.01 -0.39 0.00 -0.84 0.00 0.00 61.79 60.73 2jps h SER 54 Cb 0.30 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2jps h SER 54 CO -0.00 0.43 -2.36 -0.11 -1.14 0.00 0.00 176.83 173.65 2jps n LEU 55 N -4.46 2.67 -4.02 5.07 0.00 -0.95 -4.67 117.00 110.63 2jps n LEU 55 Ca 0.08 0.04 -0.37 0.00 0.00 0.00 0.00 56.01 55.76 2jps n LEU 55 Cb 0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 43.42 42.59 2jps n LEU 55 CO 0.35 0.82 0.50 0.49 0.00 0.00 0.00 177.39 179.55 2jps n PHE 56 N -3.55 3.93 -1.16 1.96 3.72 0.39 -4.86 117.46 117.89 2jps n PHE 56 Ca -0.45 -3.84 -0.16 0.00 -0.05 0.00 0.00 57.45 52.95 2jps n PHE 56 Cb 0.96 -1.14 0.24 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.96 4.22 -0.07 4.37 2.03 -1.00 -4.29 116.55 123.78 2jps n ASP 57 Ca 0.24 -3.45 -0.18 0.00 0.52 0.00 0.00 54.79 51.92 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -0.72 0.00 0.00 41.12 39.84 2jps n ASP 57 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jps n SER 58 N -0.72 1.85 -4.86 1.67 3.41 -1.26 -4.94 113.62 108.76 2jps n SER 58 Ca 0.52 0.03 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 2jps n SER 58 Cb 1.56 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jps s VAL 59 N -2.54 4.67 0.37 -3.33 0.11 -1.26 -5.00 120.40 113.42 2jps s VAL 59 Ca -0.27 0.89 -0.27 0.00 -2.93 0.00 0.00 61.98 59.40 2jps s VAL 59 Cb 0.08 -3.74 -0.12 0.00 -1.53 0.00 0.00 36.38 31.07 2jps s VAL 59 CO 0.69 -0.65 1.21 -1.54 -3.33 0.00 0.00 175.10 171.48 2jps n SER 60 N -1.55 2.31 -0.19 3.54 3.41 -1.26 -4.85 113.62 115.04 2jps n SER 60 Ca 0.04 1.15 0.19 0.00 -0.26 0.00 0.00 58.87 60.00 2jps n SER 60 Cb 0.54 -1.45 0.55 0.00 -0.26 0.00 0.00 64.21 63.59 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jps h ARG 61 N 2.21 0.32 -0.77 4.33 -0.00 -1.96 -0.45 114.38 118.06 2jps h ARG 61 Ca -0.45 -0.02 0.09 0.00 -0.50 0.00 0.00 59.98 59.10 2jps h ARG 61 Cb 1.30 -0.07 -0.05 0.00 0.00 0.00 0.00 29.97 31.15 2jps h ARG 61 CO 0.61 0.21 0.51 0.22 0.00 0.00 0.00 179.97 181.51 2jps h ASP 62 N 0.33 0.64 -0.42 7.04 1.82 -1.98 0.16 116.42 124.00 2jps h ASP 62 Ca 0.42 0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.98 2jps h ASP 62 Cb 1.13 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2jps h ASP 62 CO -0.12 0.38 -0.10 0.74 -1.61 0.00 0.00 179.24 178.53 2jps h THR 63 N 0.71 1.27 -0.30 2.25 2.02 -1.41 0.00 112.91 117.46 2jps h THR 63 Ca 0.35 -1.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 2jps h THR 63 Cb 0.44 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2jps h THR 63 CO -0.13 0.40 -0.24 -0.07 0.37 0.00 0.00 175.52 175.85 2jps h LEU 64 N 0.62 0.73 -1.26 2.58 4.07 -1.33 -2.93 115.31 117.80 2jps h LEU 64 Ca 0.11 -0.45 -0.04 0.00 0.08 0.00 0.00 57.88 57.58 2jps h LEU 64 Cb 0.63 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2jps h LEU 64 CO 0.04 1.03 0.12 0.00 -1.08 0.00 0.00 178.44 178.55 2jps h ALA 65 N 0.72 1.41 -0.80 1.53 0.00 -0.64 -2.29 119.26 119.19 2jps h ALA 65 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jps h ALA 65 Cb 0.80 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2jps h ALA 65 CO 0.06 0.43 0.32 -0.97 0.00 0.00 0.00 179.25 179.10 2jps h ASN 66 N 0.62 1.11 0.19 0.00 -0.73 -0.83 0.84 115.58 116.78 2jps h ASN 66 Ca 0.14 -0.17 -0.16 0.00 1.87 0.00 0.00 56.30 57.98 2jps h ASN 66 Cb 0.21 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 2jps h ASN 66 CO -0.01 0.98 -0.59 0.58 -0.37 0.00 0.00 177.43 178.02 2jps h VAL 67 N 1.17 1.35 -0.30 2.57 2.07 -1.29 -2.56 116.25 119.27 2jps h VAL 67 Ca 0.27 -1.90 -0.17 0.00 0.82 0.00 0.00 66.70 65.71 2jps h VAL 67 Cb 0.22 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2jps h VAL 67 CO -0.02 0.58 -0.50 0.58 0.02 0.00 0.00 177.57 178.23 2jps h VAL 68 N 0.31 1.28 -0.55 2.57 2.07 -1.09 -2.91 116.25 117.93 2jps h VAL 68 Ca -0.00 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 2jps h VAL 68 Cb 1.12 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2jps h VAL 68 CO 0.10 0.55 0.33 -0.61 0.02 0.00 0.00 177.57 177.96 2jps h GLN 69 N 0.65 0.75 0.00 1.57 5.75 -0.74 -1.96 115.11 121.13 2jps h GLN 69 Ca 0.03 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 2jps h GLN 69 Cb 1.09 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 2jps h GLN 69 CO 0.11 0.54 -0.17 0.00 -2.65 0.00 0.00 178.83 176.66 2jps h THR 70 N 0.74 0.99 -0.58 2.39 1.03 -1.43 -2.30 112.91 113.77 2jps h THR 70 Ca 0.20 -0.60 -0.08 0.00 -0.01 0.00 0.00 66.41 65.91 2jps h THR 70 Cb -0.01 1.33 -0.02 0.00 -1.07 0.00 0.00 68.15 68.38 2jps h THR 70 CO -0.04 0.16 0.04 0.00 -0.01 0.00 0.00 175.52 175.67 2jps h ALA 71 N 1.83 0.77 0.44 0.00 0.00 -1.15 0.94 119.26 122.09 2jps h ALA 71 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 71 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jps h ALA 71 CO 0.02 0.57 -0.21 0.74 0.00 0.00 0.00 179.25 180.38 2jps h PHE 72 N 0.89 -0.54 -0.86 0.00 0.04 -1.19 0.01 116.94 115.28 2jps h PHE 72 Ca 0.17 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2jps h PHE 72 Cb 0.50 0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 2jps h PHE 72 CO 0.04 -0.24 0.56 0.35 -0.60 0.00 0.00 178.31 178.42 2jps h PHE 73 N -0.82 1.09 -0.80 -0.55 3.57 -1.40 -1.73 116.94 116.30 2jps h PHE 73 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2jps h PHE 73 Cb 0.55 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2jps h PHE 73 CO 0.00 0.70 0.50 0.00 -2.23 0.00 0.00 178.31 177.28 2jps h ALA 74 N 1.44 1.38 -0.90 2.41 0.00 0.11 -2.04 119.26 121.67 2jps h ALA 74 Ca 0.31 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.24 2jps h ALA 74 Cb -0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.29 2jps h ALA 74 CO -0.07 0.55 0.58 -0.07 0.00 0.00 0.00 179.25 180.25 2jps h LEU 75 N 1.09 0.81 -0.12 0.00 -0.00 -0.04 1.02 115.31 118.07 2jps h LEU 75 Ca 0.29 0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 58.11 2jps h LEU 75 Cb -0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2jps h LEU 75 CO -0.06 0.48 -0.26 -0.33 -0.00 0.00 0.00 178.44 178.27 2jps h GLU 76 N 0.90 0.39 -0.34 1.13 4.39 -1.36 -2.85 114.58 116.84 2jps h GLU 76 Ca 0.42 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 2jps h GLU 76 Cb 0.41 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2jps h GLU 76 CO -0.18 0.86 -0.23 0.00 -1.16 0.00 0.00 179.01 178.30 2jps h ALA 77 N 0.53 0.96 -0.63 3.43 0.00 -0.98 -2.42 119.26 120.14 2jps h ALA 77 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 77 Cb 0.86 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2jps h ALA 77 CO 0.06 0.60 0.42 1.25 0.00 0.00 0.00 179.25 181.58 2jps h LEU 78 N 0.58 0.47 0.00 0.00 6.46 0.11 1.00 115.31 123.93 2jps h LEU 78 Ca 0.08 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2jps h LEU 78 Cb 0.71 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2jps h LEU 78 CO 0.05 0.29 -0.31 1.56 -0.62 0.00 0.00 178.44 179.42 2jps h GLN 79 N 0.52 0.00 -0.69 1.25 4.20 -1.21 -3.40 115.11 115.78 2jps h GLN 79 Ca 0.29 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.68 2jps h GLN 79 Cb 0.43 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 27.95 2jps h GLN 79 CO -0.09 0.08 -0.76 0.94 -0.67 0.00 0.00 178.83 178.33 2jps n GLN 80 N -3.03 1.08 0.00 1.46 7.27 -0.22 -5.03 117.38 118.92 2jps n GLN 80 Ca 0.03 -2.53 0.00 0.00 0.07 0.00 0.00 57.00 54.57 2jps n GLN 80 Cb 0.57 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 32.25 2jps n GLN 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jps n GLY 81 N -0.01 -0.11 0.00 1.69 0.00 0.33 -4.79 105.19 102.30 2jps n GLY 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jps n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jps n GLU 82 N -1.08 0.00 -2.32 1.61 4.07 -1.25 -5.07 120.64 116.60 2jps n GLU 82 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 2jps n GLU 82 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 2jps n GLU 82 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2jps s SER 83 N 0.94 5.67 -0.20 4.31 0.01 -1.26 -4.87 113.70 118.30 2jps s SER 83 Ca 0.00 0.84 0.09 0.00 1.31 0.00 0.00 55.95 58.18 2jps s SER 83 Cb 0.00 -1.84 -0.22 0.00 0.21 0.00 0.00 66.02 64.18 2jps s SER 83 CO 0.00 -1.04 0.05 0.00 0.41 0.00 0.00 173.24 172.66 2jps n ALA 84 N -2.62 1.41 -0.28 1.44 0.00 -1.26 -4.35 120.51 114.85 2jps n ALA 84 Ca 0.04 -1.11 0.17 0.00 0.00 0.00 0.00 53.44 52.54 2jps n ALA 84 Cb 0.57 -0.27 0.45 0.00 0.00 0.00 0.00 19.45 20.19 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 0.01 0.52 -0.89 0.00 4.81 -1.94 0.39 114.58 117.47 2jps h GLU 85 Ca -0.52 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 2jps h GLU 85 Cb 2.07 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 31.28 2jps h GLU 85 CO -0.00 0.35 0.58 -0.91 -0.73 0.00 0.00 179.01 178.29 2jps h ASN 86 N 0.54 0.92 -0.64 1.04 4.21 -2.00 -1.46 115.58 118.19 2jps h ASN 86 Ca 0.50 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.00 2jps h ASN 86 Cb 1.05 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 38.02 2jps h ASN 86 CO -0.23 0.61 0.38 0.40 -1.29 0.00 0.00 177.43 177.29 2jps h ILE 87 N 1.05 1.19 -0.83 2.81 2.04 -1.15 -2.25 117.51 120.38 2jps h ILE 87 Ca 0.37 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2jps h ILE 87 Cb 0.12 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2jps h ILE 87 CO -0.13 0.20 0.55 0.58 0.00 0.00 0.00 178.15 179.35 2jps h VAL 88 N 0.90 1.17 -0.83 1.67 2.07 -1.25 -1.91 116.25 118.08 2jps h VAL 88 Ca 0.23 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2jps h VAL 88 Cb -0.01 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.70 2jps h VAL 88 CO -0.04 0.20 0.50 0.77 0.02 0.00 0.00 177.57 179.02 2jps h SER 89 N 1.07 0.77 0.08 0.57 4.64 -1.36 0.31 113.55 119.63 2jps h SER 89 Ca 0.32 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 2jps h SER 89 Cb -0.04 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2jps h SER 89 CO -0.08 0.48 -0.43 0.50 -0.87 0.00 0.00 176.83 176.43 2jps h LYS 90 N 0.90 0.44 -0.28 4.77 3.64 -1.40 -2.86 116.57 121.78 2jps h LYS 90 Ca 0.37 -0.23 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 2jps h LYS 90 Cb 0.22 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jps h LYS 90 CO -0.19 0.79 -0.52 0.82 -2.27 0.00 0.00 179.45 178.08 2jps h ILE 91 N 0.36 1.28 -0.68 2.00 1.08 -0.52 -2.59 117.51 118.44 2jps h ILE 91 Ca 0.03 -1.72 0.01 0.00 -0.39 0.00 0.00 64.86 62.79 2jps h ILE 91 Cb 0.91 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 2jps h ILE 91 CO 0.08 0.56 0.45 -0.09 -0.69 0.00 0.00 178.15 178.45 2jps h ARG 92 N 0.63 0.89 -0.22 2.37 2.43 -0.32 0.83 114.38 120.99 2jps h ARG 92 Ca 0.02 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 2jps h ARG 92 Cb 1.11 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2jps h ARG 92 CO 0.11 0.59 -0.62 0.52 -1.51 0.00 0.00 179.97 179.06 2jps h MET 93 N 0.91 0.81 -0.08 0.20 2.86 -1.40 0.43 114.93 118.66 2jps h MET 93 Ca 0.25 -0.58 -0.21 0.00 -2.06 0.00 0.00 59.70 57.10 2jps h MET 93 Cb -0.10 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2jps h MET 93 CO -0.05 1.20 -0.82 1.98 1.06 0.00 0.00 176.91 180.27 2jps h MET 94 N 0.56 0.57 -0.13 1.72 1.85 -1.04 -2.66 114.93 115.80 2jps h MET 94 Ca -0.02 -0.51 -0.14 0.00 -0.61 0.00 0.00 59.70 58.42 2jps h MET 94 Cb 1.24 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.38 2jps h MET 94 CO 0.13 1.13 -0.54 -0.91 -0.40 0.00 0.00 176.91 176.33 2jps h ASN 95 N 0.37 0.42 -0.27 1.39 -0.26 0.67 -2.70 115.58 115.21 2jps h ASN 95 Ca -0.06 -0.22 -0.12 0.00 -0.56 0.00 0.00 56.30 55.34 2jps h ASN 95 Cb 1.44 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.56 2jps h ASN 95 CO 0.15 0.88 -0.26 0.00 -1.06 0.00 0.00 177.43 177.14 2jps h ALA 96 N 1.13 0.84 -0.48 -0.83 0.00 -0.88 -2.51 119.26 116.53 2jps h ALA 96 Ca 0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2jps h ALA 96 Cb 1.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jps h ALA 96 CO 0.09 0.64 -0.05 0.37 0.00 0.00 0.00 179.25 180.30 2jps h GLN 97 N 0.65 0.89 -0.71 0.00 4.15 -1.39 0.68 115.11 119.39 2jps h GLN 97 Ca 0.08 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 2jps h GLN 97 Cb 0.78 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2jps h GLN 97 CO 0.06 0.95 0.38 0.77 -1.93 0.00 0.00 178.83 179.06 2jps h SER 98 N 0.74 0.88 -0.58 -0.69 0.02 -1.37 -2.88 113.55 109.68 2jps h SER 98 Ca 0.13 -0.07 -0.41 0.00 -0.84 0.00 0.00 61.79 60.60 2jps h SER 98 Cb 0.58 -0.22 -0.29 0.00 0.14 0.00 0.00 62.40 62.61 2jps h SER 98 CO 0.03 0.71 -0.45 -0.11 -1.14 0.00 0.00 176.83 175.87 2jps n LEU 99 N -4.36 4.72 0.14 5.07 7.94 -0.95 -4.69 117.00 124.88 2jps n LEU 99 Ca 0.07 -4.40 0.00 0.00 -1.11 0.00 0.00 56.01 50.57 2jps n LEU 99 Cb 0.10 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2jps n LEU 99 CO 0.38 1.78 0.00 0.61 -1.11 0.00 0.00 177.39 179.05 2jps n GLY 100 N -0.87 -0.33 3.89 -3.96 0.00 0.23 -4.94 105.19 99.21 2jps n GLY 100 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.96 3.44 -1.51 1.61 -1.52 -1.10 -4.37 119.66 114.24 2jps s GLN 101 Ca 0.00 -0.21 -0.13 0.00 -1.95 0.00 0.00 55.36 53.07 2jps s GLN 101 Cb 0.00 -3.15 0.08 0.00 -0.22 0.00 0.00 33.01 29.72 2jps s GLN 101 CO 0.00 0.74 0.93 0.43 -0.25 0.00 0.00 175.29 177.13 2jps n SER 102 N 1.54 -4.86 -3.98 5.90 7.64 -1.26 -4.73 113.62 113.86 2jps n SER 102 Ca -0.16 -0.71 -0.31 0.00 1.01 0.00 0.00 58.87 58.69 2jps n SER 102 Cb 0.54 -3.89 -0.10 0.00 -1.01 0.00 0.00 64.21 59.75 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jps s ASP 103 N -3.21 5.27 -0.39 6.43 2.15 -1.26 -5.02 116.67 120.63 2jps s ASP 103 Ca 0.63 -3.76 0.00 0.00 0.43 0.00 0.00 52.55 49.85 2jps s ASP 103 Cb -0.31 -1.75 0.11 0.00 -0.30 0.00 0.00 42.92 40.67 2jps s ASP 103 CO 0.77 -0.13 0.15 -0.63 -0.17 0.00 0.00 175.17 175.16 2jps s ILE 104 N -1.36 2.85 0.00 4.11 1.01 -1.26 -4.92 121.20 121.63 2jps s ILE 104 Ca 0.25 -2.27 0.00 0.00 0.00 0.00 0.00 60.65 58.64 2jps s ILE 104 Cb -0.07 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2jps s ILE 104 CO -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 174.94 174.13