#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 0.71 -2.33 7.83 7.64 -1.26 -4.87 113.62 121.33 2jps n SER 2 Ca 0.00 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.81 2jps n SER 2 Cb 0.00 -0.12 0.03 0.00 -1.01 0.00 0.00 64.21 63.11 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 -3.45 3.24 -0.33 1.43 3.00 -1.26 -4.78 117.38 115.24 2jps n GLN 3 Ca 0.00 -3.97 0.04 0.00 -0.01 0.00 0.00 57.00 53.07 2jps n GLN 3 Cb 0.03 -2.27 0.23 0.00 0.00 0.00 0.00 30.24 28.22 2jps n GLN 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2jps h GLU 4 N 2.35 1.03 -0.90 -1.09 4.57 -1.98 0.86 114.58 119.42 2jps h GLU 4 Ca 0.43 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.65 2jps h GLU 4 Cb 1.01 -0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 29.29 2jps h GLU 4 CO 1.07 0.68 0.54 0.37 -1.18 0.00 0.00 179.01 180.49 2jps h GLN 5 N 1.06 0.89 -0.03 1.92 5.75 -1.99 0.88 115.11 123.58 2jps h GLN 5 Ca 0.41 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.66 2jps h GLN 5 Cb 0.23 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 2jps h GLN 5 CO -0.16 0.59 -0.84 1.88 -2.65 0.00 0.00 178.83 177.64 2jps h TYR 6 N 0.92 0.54 -0.43 3.99 -1.99 -1.59 -2.26 116.97 116.15 2jps h TYR 6 Ca 0.42 -0.27 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 2jps h TYR 6 Cb 0.35 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 2jps h TYR 6 CO -0.03 1.06 -0.26 1.15 -0.00 0.00 0.00 178.16 180.08 2jps h THR 7 N 0.23 1.27 -0.32 -2.88 2.02 0.90 0.87 112.91 115.00 2jps h THR 7 Ca -0.05 -1.41 -0.18 0.00 0.77 0.00 0.00 66.41 65.54 2jps h THR 7 Cb 1.45 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2jps h THR 7 CO 0.14 0.48 -0.49 -0.08 0.37 0.00 0.00 175.52 175.95 2jps h GLU 8 N 0.77 0.89 0.05 6.66 4.81 0.71 0.65 114.58 129.12 2jps h GLU 8 Ca 0.09 -0.53 -0.28 0.00 -0.13 0.00 0.00 59.36 58.52 2jps h GLU 8 Cb 0.82 0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.27 2jps h GLU 8 CO 0.07 1.17 -1.12 -0.91 -0.73 0.00 0.00 179.01 177.49 2jps h ASN 9 N 0.70 0.86 -0.48 1.04 4.21 -1.33 -3.20 115.58 117.39 2jps h ASN 9 Ca 0.03 -0.73 -0.05 0.00 1.21 0.00 0.00 56.30 56.75 2jps h ASN 9 Cb 1.09 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 38.00 2jps h ASN 9 CO 0.11 1.54 0.12 0.25 -1.29 0.00 0.00 177.43 178.16 2jps h LEU 10 N 0.33 0.77 -1.59 1.61 5.85 0.79 -2.29 115.31 120.79 2jps h LEU 10 Ca -0.15 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.56 2jps h LEU 10 Cb 1.78 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 2jps h LEU 10 CO 0.21 0.77 0.47 0.50 -0.34 0.00 0.00 178.44 180.06 2jps h LYS 11 N 0.79 0.41 -0.14 1.25 3.64 -0.86 0.32 116.57 121.98 2jps h LYS 11 Ca 0.17 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 2jps h LYS 11 Cb 0.31 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2jps h LYS 11 CO 0.00 0.27 -0.56 0.28 -2.27 0.00 0.00 179.45 177.17 2jps h VAL 12 N 0.42 1.33 -0.29 2.00 2.07 -1.46 -2.47 116.25 117.85 2jps h VAL 12 Ca 0.34 -1.82 -0.13 0.00 0.82 0.00 0.00 66.70 65.91 2jps h VAL 12 Cb 0.75 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2jps h VAL 12 CO -0.10 0.56 -0.35 0.40 0.02 0.00 0.00 177.57 178.10 2jps h ILE 13 N 0.29 1.29 -0.78 4.57 2.04 -1.09 -2.53 117.51 121.29 2jps h ILE 13 Ca -0.03 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 2jps h ILE 13 Cb 1.19 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 2jps h ILE 13 CO 0.12 0.48 0.35 0.58 0.00 0.00 0.00 178.15 179.68 2jps h VAL 14 N 0.53 1.25 -0.07 1.67 2.07 -0.42 -1.88 116.25 119.40 2jps h VAL 14 Ca 0.06 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2jps h VAL 14 Cb 0.85 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2jps h VAL 14 CO 0.07 0.31 -0.20 0.00 0.02 0.00 0.00 177.57 177.78 2jps h ALA 15 N 1.18 1.54 -0.99 1.67 0.00 -1.22 -2.71 119.26 118.73 2jps h ALA 15 Ca 0.27 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.15 2jps h ALA 15 Cb 0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 2jps h ALA 15 CO -0.03 0.34 0.61 1.49 0.00 0.00 0.00 179.25 181.66 2jps h GLU 16 N 0.11 0.70 0.23 0.00 4.81 -0.91 0.83 114.58 120.36 2jps h GLU 16 Ca 0.02 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.87 2jps h GLU 16 Cb 0.42 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 29.67 2jps h GLU 16 CO 0.03 0.46 -1.57 -0.22 -0.73 0.00 0.00 179.01 176.98 2jps h LYS 17 N 0.72 0.49 -0.07 1.92 1.63 -1.54 -2.77 116.57 116.94 2jps h LYS 17 Ca 0.56 -0.83 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2jps h LYS 17 Cb 0.93 0.31 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2jps h LYS 17 CO -0.34 1.40 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.97 2jps h LEU 18 N 0.13 0.14 -1.84 5.20 3.38 -1.09 -1.69 115.31 119.55 2jps h LEU 18 Ca -0.28 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 2jps h LEU 18 Cb 2.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.85 2jps h LEU 18 CO 0.24 0.46 -0.14 0.00 0.09 0.00 0.00 178.44 179.09 2jps h ALA 19 N 0.68 1.41 0.10 1.53 0.00 0.51 -2.81 119.26 120.68 2jps h ALA 19 Ca 0.02 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 2jps h ALA 19 Cb 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jps h ALA 19 CO 0.01 0.18 -1.17 0.78 0.00 0.00 0.00 179.25 179.05 2jps h GLY 20 N 0.74 0.27 -5.05 0.00 0.00 -1.27 -3.46 103.07 94.31 2jps h GLY 20 Ca -0.00 -0.66 -0.61 0.00 0.00 0.00 0.00 47.33 46.06 2jps h GLY 20 CO 0.02 0.58 0.65 1.39 0.00 0.00 0.00 176.54 179.17 2jps n ILE 21 N -3.53 0.20 0.24 2.60 5.41 -0.66 -4.86 119.36 118.76 2jps n ILE 21 Ca -0.07 -0.05 0.13 0.00 1.00 0.00 0.00 62.75 63.76 2jps n ILE 21 Cb 0.99 -1.29 0.47 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 5.15 0.00 -0.80 0.38 0.13 -1.88 -3.17 132.00 131.81 2jps h PRO 22 Ca -0.46 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.22 2jps h PRO 22 Cb 1.28 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.16 2jps h PRO 22 CO 0.83 0.10 0.38 0.09 -0.23 0.00 0.00 178.00 179.17 2jps n ASN 23 N -3.20 4.29 -3.96 1.44 3.02 -1.26 -4.85 115.26 110.75 2jps n ASN 23 Ca 0.01 -3.71 -0.30 0.00 -0.03 0.00 0.00 54.58 50.54 2jps n ASN 23 Cb 0.42 -0.77 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2jps s PHE 24 N -3.42 3.30 -0.07 3.10 2.19 -1.20 -5.00 117.98 116.88 2jps s PHE 24 Ca 0.55 -2.96 0.01 0.00 0.33 0.00 0.00 56.93 54.86 2jps s PHE 24 Cb 0.46 -2.75 -0.03 0.00 -1.31 0.00 0.00 43.02 39.39 2jps s PHE 24 CO 0.05 -0.85 -0.09 -0.80 1.83 0.00 0.00 175.22 175.36 2jps s ASN 25 N 0.43 4.49 0.50 6.13 0.01 -1.26 -4.93 114.94 120.31 2jps s ASN 25 Ca 0.14 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 2jps s ASN 25 Cb -0.22 -1.11 0.00 0.00 0.41 0.00 0.00 41.25 40.33 2jps s ASN 25 CO -0.05 0.35 0.00 1.21 -1.51 0.00 0.00 177.10 177.10 2jps n GLU 26 N 2.28 -2.94 -3.49 -0.60 2.13 -1.26 -4.76 120.64 112.00 2jps n GLU 26 Ca -0.18 2.29 -0.25 0.00 0.66 0.00 0.00 57.16 59.68 2jps n GLU 26 Cb 0.53 -3.54 0.00 0.00 0.27 0.00 0.00 31.44 28.70 2jps n GLU 26 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jps n ASP 27 N -4.30 -4.06 -0.13 4.31 8.00 -1.26 -4.86 116.55 114.26 2jps n ASP 27 Ca -0.06 -0.49 -0.18 0.00 0.71 0.00 0.00 54.79 54.77 2jps n ASP 27 Cb 0.65 -3.32 -0.12 0.00 -0.02 0.00 0.00 41.12 38.31 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 -4.13 1.49 0.09 0.53 0.00 -1.26 -3.50 119.36 112.58 2jps n ILE 28 Ca -0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 62.75 62.10 2jps n ILE 28 Cb 0.54 -1.43 -0.03 0.00 0.00 0.00 0.00 39.64 38.72 2jps n ILE 28 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 2jps h LYS 29 N -0.03 0.13 0.00 9.51 2.10 -1.98 -3.09 116.57 123.22 2jps h LYS 29 Ca -0.58 -0.16 -0.18 0.00 -2.00 0.00 0.00 60.65 57.73 2jps h LYS 29 Cb 1.89 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 33.25 2jps h LYS 29 CO -0.10 0.95 -0.84 1.88 -2.00 0.00 0.00 179.45 179.35 2jps h TYR 30 N 0.06 0.00 0.00 0.07 0.05 -1.97 -3.22 116.97 111.97 2jps h TYR 30 Ca -0.04 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 2jps h TYR 30 Cb 1.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.30 2jps h TYR 30 CO 0.02 0.84 -0.44 -0.24 -1.05 0.00 0.00 178.16 177.29 2jps h VAL 31 N 0.00 1.06 -0.24 -2.88 3.04 -1.59 -3.08 116.25 112.56 2jps h VAL 31 Ca -0.01 -1.65 -0.17 0.00 -1.01 0.00 0.00 66.70 63.86 2jps h VAL 31 Cb 1.54 1.96 -0.00 0.00 -2.01 0.00 0.00 31.29 32.78 2jps h VAL 31 CO 0.11 0.43 -0.52 0.00 -1.01 0.00 0.00 177.57 176.58 2jps h ALA 32 N 1.56 0.63 -0.53 3.17 0.00 -1.55 -2.34 119.26 120.21 2jps h ALA 32 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2jps h ALA 32 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2jps h ALA 32 CO 0.06 0.68 0.32 0.93 0.00 0.00 0.00 179.25 181.23 2jps h GLU 33 N 0.54 0.61 -0.74 0.00 4.39 -1.58 0.99 114.58 118.79 2jps h GLU 33 Ca 0.02 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2jps h GLU 33 Cb 1.08 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 2jps h GLU 33 CO 0.11 0.40 0.22 -0.92 -1.16 0.00 0.00 179.01 177.66 2jps h TYR 34 N 0.63 1.21 -0.21 4.33 3.20 -1.53 0.13 116.97 124.72 2jps h TYR 34 Ca 0.21 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2jps h TYR 34 Cb 0.02 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 2jps h TYR 34 CO -0.06 0.96 0.13 0.82 -1.64 0.00 0.00 178.16 178.37 2jps h ILE 35 N 1.11 1.07 -0.71 1.81 2.04 -0.76 0.13 117.51 122.20 2jps h ILE 35 Ca 0.24 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 2jps h ILE 35 Cb 0.33 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2jps h ILE 35 CO -0.00 0.07 0.29 0.58 0.00 0.00 0.00 178.15 179.08 2jps h VAL 36 N 0.27 1.25 -0.75 1.67 2.07 -0.53 0.40 116.25 120.63 2jps h VAL 36 Ca 0.08 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2jps h VAL 36 Cb -0.00 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2jps h VAL 36 CO -0.02 0.31 0.47 0.25 0.02 0.00 0.00 177.57 178.61 2jps h LEU 37 N 1.02 0.77 -0.46 2.57 5.85 -0.17 0.60 115.31 125.49 2jps h LEU 37 Ca 0.24 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2jps h LEU 37 Cb 0.21 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2jps h LEU 37 CO -0.02 0.53 0.12 -0.07 -0.34 0.00 0.00 178.44 178.66 2jps h LEU 38 N 0.92 0.69 -0.26 2.25 3.38 -0.17 0.16 115.31 122.27 2jps h LEU 38 Ca 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jps h LEU 38 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jps h LEU 38 CO -0.12 0.73 0.17 0.40 0.09 0.00 0.00 178.44 179.71 2jps h ILE 39 N 0.61 1.08 -0.56 1.22 1.08 0.17 -2.04 117.51 119.07 2jps h ILE 39 Ca 0.15 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2jps h ILE 39 Cb 0.30 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2jps h ILE 39 CO -0.00 0.08 0.20 0.58 -0.69 0.00 0.00 178.15 178.31 2jps h VAL 40 N 0.35 1.21 -0.84 1.67 2.07 0.42 -2.47 116.25 118.66 2jps h VAL 40 Ca 0.10 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.99 2jps h VAL 40 Cb -0.02 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2jps h VAL 40 CO -0.02 0.27 0.55 0.78 0.02 0.00 0.00 177.57 179.17 2jps h ASN 41 N 0.81 0.79 0.00 0.57 2.35 0.03 -3.45 115.58 116.68 2jps h ASN 41 Ca 0.19 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2jps h ASN 41 Cb 0.20 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jps h ASN 41 CO -0.01 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 2jps n GLY 42 N -1.42 -1.57 0.00 2.83 0.00 -0.94 -5.08 105.19 99.02 2jps n GLY 42 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.26 0.65 3.06 -0.02 0.00 -1.17 -4.97 105.19 101.49 2jps n GLY 43 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.67 1.98 0.37 2.61 -4.23 -1.26 -5.00 115.64 109.43 2jps s THR 44 Ca 0.00 -1.28 0.11 0.00 -1.18 0.00 0.00 61.69 59.34 2jps s THR 44 Cb 0.00 -2.01 0.33 0.00 1.34 0.00 0.00 72.50 72.17 2jps s THR 44 CO 0.00 0.16 1.88 0.58 -0.54 0.00 0.00 174.62 176.70 2jps h VAL 45 N 6.46 0.81 0.25 2.29 2.07 -1.96 0.86 116.25 127.03 2jps h VAL 45 Ca -0.28 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2jps h VAL 45 Cb 1.08 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jps h VAL 45 CO 0.51 0.11 -0.12 -0.08 0.02 0.00 0.00 177.57 178.01 2jps h GLU 46 N 0.61 -0.32 -0.20 1.57 4.57 -1.97 0.85 114.58 119.69 2jps h GLU 46 Ca 0.44 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.51 2jps h GLU 46 Cb 0.78 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2jps h GLU 46 CO -0.19 -0.04 -0.43 1.03 -1.18 0.00 0.00 179.01 178.20 2jps h SER 47 N -0.60 0.52 0.12 1.04 0.87 -1.85 0.13 113.55 113.78 2jps h SER 47 Ca -0.03 -0.24 -0.17 0.00 -1.23 0.00 0.00 61.79 60.12 2jps h SER 47 Cb 0.43 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jps h SER 47 CO 0.06 0.89 -0.63 0.58 -0.53 0.00 0.00 176.83 177.19 2jps h VAL 48 N 0.40 1.34 0.09 2.23 2.07 0.81 0.06 116.25 123.25 2jps h VAL 48 Ca 0.03 -1.94 -0.28 0.00 0.82 0.00 0.00 66.70 65.34 2jps h VAL 48 Cb 0.92 1.92 0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2jps h VAL 48 CO 0.08 0.59 -1.17 0.58 0.02 0.00 0.00 177.57 177.67 2jps h VAL 49 N 0.37 1.36 -0.47 2.57 2.07 0.85 -2.81 116.25 120.19 2jps h VAL 49 Ca -0.01 -2.59 -0.12 0.00 0.82 0.00 0.00 66.70 64.80 2jps h VAL 49 Cb 1.19 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.62 2jps h VAL 49 CO 0.11 0.78 -0.18 -0.78 0.02 0.00 0.00 177.57 177.52 2jps h ASP 50 N 0.22 0.93 -0.63 0.57 1.82 -0.72 0.73 116.42 119.34 2jps h ASP 50 Ca -0.15 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.10 2jps h ASP 50 Cb 1.84 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 41.57 2jps h ASP 50 CO 0.21 1.09 0.17 -0.33 -1.61 0.00 0.00 179.24 178.77 2jps h GLU 51 N 0.81 0.99 -0.23 0.28 3.07 -1.02 0.16 114.58 118.64 2jps h GLU 51 Ca 0.11 -0.23 -0.20 0.00 -0.50 0.00 0.00 59.36 58.54 2jps h GLU 51 Cb 0.73 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2jps h GLU 51 CO 0.06 0.89 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.84 2jps h LEU 52 N 0.92 0.96 -0.94 1.33 3.38 -1.36 -3.08 115.31 116.51 2jps h LEU 52 Ca 0.20 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2jps h LEU 52 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jps h LEU 52 CO -0.00 1.37 0.16 0.00 0.09 0.00 0.00 178.44 180.06 2jps h ALA 53 N 0.62 1.14 -0.58 1.53 0.00 -0.64 0.98 119.26 122.31 2jps h ALA 53 Ca -0.02 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jps h ALA 53 Cb 1.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2jps h ALA 53 CO 0.14 0.58 0.39 1.03 0.00 0.00 0.00 179.25 181.39 2jps h SER 54 N 0.90 0.52 0.02 0.00 0.87 -0.60 -2.73 113.55 112.53 2jps h SER 54 Ca 0.20 -0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.36 2jps h SER 54 Cb 0.30 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 2jps h SER 54 CO -0.00 0.34 -2.35 0.18 -0.53 0.00 0.00 176.83 174.47 2jps n LEU 55 N -4.47 2.65 -4.05 2.23 4.77 -0.93 -4.66 117.00 112.54 2jps n LEU 55 Ca 0.08 0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 2jps n LEU 55 Cb 0.21 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2jps n LEU 55 CO 0.34 0.81 0.63 0.49 -1.33 0.00 0.00 177.39 178.34 2jps n PHE 56 N -3.57 3.89 -0.98 -1.77 3.72 0.34 -4.84 117.46 114.25 2jps n PHE 56 Ca -0.45 -3.68 -0.12 0.00 -0.05 0.00 0.00 57.45 53.16 2jps n PHE 56 Cb 0.96 -1.23 0.25 0.00 -0.94 0.00 0.00 39.48 38.51 2jps n PHE 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jps n ASP 57 N 1.94 4.36 -0.06 4.37 5.75 -1.03 -4.36 116.55 127.52 2jps n ASP 57 Ca 0.24 -3.27 -0.11 0.00 -0.01 0.00 0.00 54.79 51.64 2jps n ASP 57 Cb 0.37 -0.77 -0.15 0.00 -1.03 0.00 0.00 41.12 39.55 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2jps n SER 58 N -0.44 0.76 -4.93 -1.12 2.88 -1.26 -4.94 113.62 104.56 2jps n SER 58 Ca 0.45 0.17 -0.27 0.00 -1.33 0.00 0.00 58.87 57.89 2jps n SER 58 Cb 1.44 0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 65.12 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jps s VAL 59 N -2.54 5.27 0.56 2.46 0.11 -1.26 -5.06 120.40 119.94 2jps s VAL 59 Ca -0.12 -0.52 -0.20 0.00 -2.93 0.00 0.00 61.98 58.21 2jps s VAL 59 Cb 0.07 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 2jps s VAL 59 CO 0.80 -0.12 1.00 -1.20 -3.33 0.00 0.00 175.10 172.25 2jps n SER 60 N -0.55 1.01 -0.11 3.54 7.64 -1.26 -4.85 113.62 119.04 2jps n SER 60 Ca -0.06 0.86 0.19 0.00 1.01 0.00 0.00 58.87 60.88 2jps n SER 60 Cb 0.54 -1.40 0.60 0.00 -1.01 0.00 0.00 64.21 62.95 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jps h ARG 61 N 0.78 0.20 -0.85 1.43 -0.00 -1.97 -1.13 114.38 112.84 2jps h ARG 61 Ca -0.48 -0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.12 2jps h ARG 61 Cb 1.35 -0.04 -0.06 0.00 0.00 0.00 0.00 29.97 31.22 2jps h ARG 61 CO 0.52 0.13 0.55 0.22 0.00 0.00 0.00 179.97 181.40 2jps h ASP 62 N 0.20 0.65 -0.35 7.04 1.82 -1.98 0.51 116.42 124.31 2jps h ASP 62 Ca 0.34 0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.89 2jps h ASP 62 Cb 1.04 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 2jps h ASP 62 CO -0.06 0.35 -0.23 0.74 -1.61 0.00 0.00 179.24 178.43 2jps h THR 63 N 0.70 1.29 -0.24 2.25 2.02 -1.54 0.38 112.91 117.77 2jps h THR 63 Ca 0.42 -1.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 2jps h THR 63 Cb 0.63 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2jps h THR 63 CO -0.18 0.45 -0.17 -0.07 0.37 0.00 0.00 175.52 175.92 2jps h LEU 64 N 0.56 0.56 -1.21 2.58 4.07 -1.22 -2.85 115.31 117.80 2jps h LEU 64 Ca 0.07 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 2jps h LEU 64 Cb 0.78 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 2jps h LEU 64 CO 0.06 0.89 0.34 0.00 -1.08 0.00 0.00 178.44 178.65 2jps h ALA 65 N 0.69 1.40 -0.75 1.53 0.00 0.01 -1.48 119.26 120.66 2jps h ALA 65 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jps h ALA 65 Cb 0.70 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2jps h ALA 65 CO 0.05 0.49 0.47 -0.91 0.00 0.00 0.00 179.25 179.35 2jps h ASN 66 N 0.89 0.88 0.13 0.00 4.21 -0.75 0.47 115.58 121.41 2jps h ASN 66 Ca 0.23 -0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.53 2jps h ASN 66 Cb 0.04 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 2jps h ASN 66 CO -0.04 0.67 -0.58 0.58 -1.29 0.00 0.00 177.43 176.77 2jps h VAL 67 N 1.02 1.34 -0.22 2.81 2.07 -1.22 -2.51 116.25 119.54 2jps h VAL 67 Ca 0.27 -1.87 -0.16 0.00 0.82 0.00 0.00 66.70 65.76 2jps h VAL 67 Cb -0.07 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jps h VAL 67 CO -0.05 0.57 -0.53 0.58 0.02 0.00 0.00 177.57 178.16 2jps h VAL 68 N 0.35 1.31 -0.69 2.57 2.07 -0.75 -2.96 116.25 118.14 2jps h VAL 68 Ca 0.00 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 2jps h VAL 68 Cb 1.11 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2jps h VAL 68 CO 0.10 0.55 0.23 -0.61 0.02 0.00 0.00 177.57 177.86 2jps h GLN 69 N 0.50 1.07 0.00 1.57 4.15 0.03 -2.48 115.11 119.95 2jps h GLN 69 Ca 0.02 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.15 2jps h GLN 69 Cb 1.09 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 2jps h GLN 69 CO 0.11 0.91 -0.27 0.00 -1.93 0.00 0.00 178.83 177.65 2jps h THR 70 N 1.01 1.12 -0.54 2.39 1.03 -1.41 -2.25 112.91 114.25 2jps h THR 70 Ca 0.22 -0.96 -0.10 0.00 -0.01 0.00 0.00 66.41 65.57 2jps h THR 70 Cb 0.29 1.53 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 2jps h THR 70 CO -0.01 0.27 -0.04 0.00 -0.01 0.00 0.00 175.52 175.73 2jps h ALA 71 N 1.73 0.74 0.37 0.00 0.00 -1.28 0.83 119.26 121.64 2jps h ALA 71 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jps h ALA 71 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jps h ALA 71 CO 0.04 0.60 -0.18 0.74 0.00 0.00 0.00 179.25 180.44 2jps h PHE 72 N 0.86 -0.46 -0.76 0.00 0.04 -1.27 0.65 116.94 116.00 2jps h PHE 72 Ca 0.15 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 2jps h PHE 72 Cb 0.59 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 2jps h PHE 72 CO 0.04 -0.16 0.44 0.74 -0.60 0.00 0.00 178.31 178.77 2jps h PHE 73 N -0.74 1.01 -0.80 -0.55 0.04 -1.38 -2.11 116.94 112.39 2jps h PHE 73 Ca -0.05 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2jps h PHE 73 Cb 0.51 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 2jps h PHE 73 CO 0.00 0.68 0.43 0.00 -0.60 0.00 0.00 178.31 178.83 2jps h ALA 74 N 1.43 1.03 -1.01 2.45 0.00 0.89 -0.47 119.26 123.59 2jps h ALA 74 Ca 0.27 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2jps h ALA 74 Cb -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 2jps h ALA 74 CO -0.05 0.55 0.66 -0.07 0.00 0.00 0.00 179.25 180.35 2jps h LEU 75 N 1.12 1.12 -0.18 0.00 3.38 -0.18 0.91 115.31 121.49 2jps h LEU 75 Ca 0.28 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 2jps h LEU 75 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2jps h LEU 75 CO -0.04 0.79 -0.48 -0.33 0.09 0.00 0.00 178.44 178.46 2jps h GLU 76 N 1.31 0.63 -0.37 1.13 5.08 -1.22 -2.68 114.58 118.47 2jps h GLU 76 Ca 0.39 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2jps h GLU 76 Cb -0.07 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jps h GLU 76 CO -0.11 1.07 -0.26 0.00 -1.00 0.00 0.00 179.01 178.71 2jps h ALA 77 N 0.57 0.85 -0.57 3.43 0.00 -0.64 -2.82 119.26 120.07 2jps h ALA 77 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2jps h ALA 77 Cb 1.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2jps h ALA 77 CO 0.10 0.64 0.33 1.25 0.00 0.00 0.00 179.25 181.57 2jps h LEU 78 N 0.66 0.68 -1.68 0.00 5.85 0.87 0.30 115.31 122.00 2jps h LEU 78 Ca 0.08 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.86 2jps h LEU 78 Cb 0.78 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2jps h LEU 78 CO 0.06 0.53 0.39 1.56 -0.34 0.00 0.00 178.44 180.64 2jps h GLN 79 N 0.79 0.36 0.00 1.25 4.20 -1.20 0.22 115.11 120.72 2jps h GLN 79 Ca 0.21 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2jps h GLN 79 Cb -0.01 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2jps h GLN 79 CO -0.04 0.24 -0.95 0.94 -0.67 0.00 0.00 178.83 178.35 2jps n GLN 80 N -4.47 0.46 -0.17 1.46 7.27 -0.72 -4.64 117.38 116.57 2jps n GLN 80 Ca 0.09 0.18 -0.08 0.00 0.07 0.00 0.00 57.00 57.26 2jps n GLN 80 Cb 0.38 -1.30 0.01 0.00 2.41 0.00 0.00 30.24 31.74 2jps n GLN 80 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2jps h GLY 81 N -0.85 0.77 -5.37 1.69 0.00 -0.53 -3.46 103.07 95.32 2jps h GLY 81 Ca -0.04 -0.41 -0.38 0.00 0.00 0.00 0.00 47.33 46.50 2jps h GLY 81 CO -0.02 0.38 -0.57 -2.21 0.00 0.00 0.00 176.54 174.12 2jps n GLU 82 N -4.58 -3.60 -3.73 4.80 2.13 0.78 -4.95 120.64 111.49 2jps n GLU 82 Ca 0.02 0.52 -0.23 0.00 0.66 0.00 0.00 57.16 58.13 2jps n GLU 82 Cb 0.14 -5.25 -0.18 0.00 0.27 0.00 0.00 31.44 26.42 2jps n GLU 82 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2jps s SER 83 N -2.74 1.67 -0.03 4.31 0.01 -1.26 -5.01 113.70 110.65 2jps s SER 83 Ca 0.40 -0.16 0.18 0.00 1.31 0.00 0.00 55.95 57.68 2jps s SER 83 Cb -0.21 -0.37 -0.21 0.00 0.21 0.00 0.00 66.02 65.44 2jps s SER 83 CO 0.49 -0.23 0.54 0.00 0.41 0.00 0.00 173.24 174.45 2jps n ALA 84 N 5.18 2.00 -0.22 1.44 0.00 -1.26 -4.29 120.51 123.36 2jps n ALA 84 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2jps n ALA 84 Cb 0.50 -0.70 0.24 0.00 0.00 0.00 0.00 19.45 19.49 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 1.01 -0.99 0.00 4.81 -1.95 -2.27 114.58 115.19 2jps h GLU 85 Ca -0.24 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 85 Cb 1.64 -0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.73 2jps h GLU 85 CO 0.03 0.67 0.63 -0.91 -0.73 0.00 0.00 179.01 178.70 2jps h ASN 86 N 1.04 1.00 -0.13 1.04 2.35 -2.01 -0.93 115.58 117.93 2jps h ASN 86 Ca 0.28 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2jps h ASN 86 Cb -0.12 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 2jps h ASN 86 CO -0.06 0.62 -0.28 0.40 -1.65 0.00 0.00 177.43 176.46 2jps h ILE 87 N 1.12 1.28 -0.48 2.81 5.03 -1.65 -2.86 117.51 122.76 2jps h ILE 87 Ca 0.44 -1.37 -0.03 0.00 -0.12 0.00 0.00 64.86 63.77 2jps h ILE 87 Cb 0.22 1.36 -0.02 0.00 -3.03 0.00 0.00 36.82 35.34 2jps h ILE 87 CO -0.19 0.44 0.16 0.58 -0.68 0.00 0.00 178.15 178.47 2jps h VAL 88 N 0.52 1.19 -0.89 1.67 2.07 -0.94 -2.39 116.25 117.47 2jps h VAL 88 Ca 0.07 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.07 2jps h VAL 88 Cb 0.75 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 2jps h VAL 88 CO 0.06 0.24 0.52 -1.28 0.02 0.00 0.00 177.57 177.13 2jps h SER 89 N 0.70 0.73 -0.04 0.57 0.87 -1.16 0.69 113.55 115.90 2jps h SER 89 Ca 0.16 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.62 2jps h SER 89 Cb 0.19 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2jps h SER 89 CO -0.01 0.38 -0.52 0.50 -0.53 0.00 0.00 176.83 176.65 2jps h LYS 90 N 0.82 0.61 -0.26 2.24 1.63 -1.51 -2.81 116.57 117.28 2jps h LYS 90 Ca 0.45 -0.37 -0.16 0.00 -0.85 0.00 0.00 60.65 59.72 2jps h LYS 90 Cb 0.48 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2jps h LYS 90 CO -0.28 0.98 -0.47 0.82 -3.45 0.00 0.00 179.45 177.06 2jps h ILE 91 N 0.48 1.30 -0.76 2.00 1.08 -0.64 -1.25 117.51 119.72 2jps h ILE 91 Ca 0.02 -1.66 -0.01 0.00 -0.39 0.00 0.00 64.86 62.81 2jps h ILE 91 Cb 1.07 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 36.37 2jps h ILE 91 CO 0.10 0.53 0.42 0.03 -0.69 0.00 0.00 178.15 178.54 2jps h ARG 92 N 0.55 1.04 -0.03 2.37 2.47 0.37 0.86 114.38 122.02 2jps h ARG 92 Ca 0.03 -0.11 -0.25 0.00 -1.26 0.00 0.00 59.98 58.39 2jps h ARG 92 Cb 1.02 -0.21 0.02 0.00 -1.65 0.00 0.00 29.97 29.14 2jps h ARG 92 CO 0.10 0.76 -0.97 1.98 0.56 0.00 0.00 179.97 182.39 2jps h MET 93 N 1.05 0.66 -0.14 0.04 4.05 -1.37 -2.03 114.93 117.20 2jps h MET 93 Ca 0.27 -0.67 -0.16 0.00 -0.28 0.00 0.00 59.70 58.85 2jps h MET 93 Cb 0.02 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 2jps h MET 93 CO -0.04 1.27 -0.59 0.52 0.23 0.00 0.00 176.91 178.29 2jps h MET 94 N 0.39 0.47 -0.19 0.39 2.86 -0.81 -1.72 114.93 116.32 2jps h MET 94 Ca -0.11 -0.31 -0.16 0.00 -2.06 0.00 0.00 59.70 57.06 2jps h MET 94 Cb 1.62 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 2jps h MET 94 CO 0.19 0.92 -0.53 -0.91 1.06 0.00 0.00 176.91 177.64 2jps h ASN 95 N 0.35 0.62 -0.23 1.22 2.35 0.72 -0.81 115.58 119.80 2jps h ASN 95 Ca -0.00 -0.32 -0.19 0.00 -0.55 0.00 0.00 56.30 55.23 2jps h ASN 95 Cb 1.13 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2jps h ASN 95 CO 0.11 1.03 -0.60 0.00 -1.65 0.00 0.00 177.43 176.32 2jps h ALA 96 N 0.98 0.45 -0.35 -0.83 0.00 -1.30 -2.60 119.26 115.61 2jps h ALA 96 Ca 0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 2jps h ALA 96 Cb 1.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jps h ALA 96 CO 0.10 0.68 -0.35 0.37 0.00 0.00 0.00 179.25 180.05 2jps h GLN 97 N 0.63 0.80 -0.30 0.00 4.15 -1.27 0.82 115.11 119.94 2jps h GLN 97 Ca -0.00 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 2jps h GLN 97 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2jps h GLN 97 CO 0.13 1.03 -0.00 0.66 -1.93 0.00 0.00 178.83 178.71 2jps h SER 98 N 0.67 0.42 0.09 -0.69 4.64 -1.10 -3.21 113.55 114.36 2jps h SER 98 Ca 0.06 -0.07 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 2jps h SER 98 Cb 0.90 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 2jps h SER 98 CO 0.08 0.49 -2.19 -0.11 -0.87 0.00 0.00 176.83 174.23 2jps n LEU 99 N -4.30 2.56 -0.45 5.97 0.00 -0.99 -5.09 117.00 114.71 2jps n LEU 99 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 56.01 56.09 2jps n LEU 99 Cb 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.75 2jps n LEU 99 CO 0.38 0.85 0.00 0.61 0.00 0.00 0.00 177.39 179.23 2jps n GLY 100 N 2.07 -0.75 3.42 -3.96 0.00 0.28 -5.08 105.19 101.17 2jps n GLY 100 Ca -0.37 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.12 3.16 -1.30 1.61 0.74 -1.25 -4.68 119.66 116.83 2jps s GLN 101 Ca 0.00 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 2jps s GLN 101 Cb 0.00 -2.59 -0.00 0.00 1.10 0.00 0.00 33.01 31.51 2jps s GLN 101 CO 0.00 0.34 0.67 0.43 -0.55 0.00 0.00 175.29 176.18 2jps n SER 102 N 3.16 -1.58 -3.63 6.67 7.64 -1.26 -4.99 113.62 119.63 2jps n SER 102 Ca -0.18 -0.86 -0.24 0.00 1.01 0.00 0.00 58.87 58.60 2jps n SER 102 Cb 0.53 -3.90 -0.17 0.00 -1.01 0.00 0.00 64.21 59.65 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 -4.25 1.93 -0.31 6.43 -1.08 -1.26 -5.03 116.67 113.10 2jps s ASP 103 Ca 0.06 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 51.91 2jps s ASP 103 Cb -0.02 -0.21 0.47 0.00 -1.46 0.00 0.00 42.92 41.71 2jps s ASP 103 CO 0.82 -0.32 0.98 0.00 0.52 0.00 0.00 175.17 177.18 2jps n ILE 104 N 5.29 1.04 -0.46 4.11 3.06 -1.26 -5.10 119.36 126.04 2jps n ILE 104 Ca -0.06 -3.02 0.00 0.00 -2.50 0.00 0.00 62.75 57.18 2jps n ILE 104 Cb 0.49 0.80 0.00 0.00 0.54 0.00 0.00 39.64 41.48 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05