#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 0.81 -0.60 6.12 0.01 -1.26 -5.09 113.70 113.69 2jps s SER 2 Ca 0.00 -0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.08 2jps s SER 2 Cb 0.00 -0.05 0.22 0.00 0.21 0.00 0.00 66.02 66.40 2jps s SER 2 CO 0.00 0.01 0.61 0.00 0.41 0.00 0.00 173.24 174.26 2jps n GLN 3 N 2.52 1.85 -0.06 12.44 1.13 -1.26 -4.88 117.38 129.12 2jps n GLN 3 Ca -0.16 -4.27 -0.19 0.00 -1.94 0.00 0.00 57.00 50.44 2jps n GLN 3 Cb 0.57 -2.06 -0.13 0.00 0.11 0.00 0.00 30.24 28.73 2jps n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jps n GLU 4 N 1.42 0.71 -0.28 -1.09 1.02 -1.26 -3.45 120.64 117.71 2jps n GLU 4 Ca 0.26 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 2jps n GLU 4 Cb 0.42 -1.63 0.38 0.00 -0.02 0.00 0.00 31.44 30.59 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2jps h GLN 5 N 0.04 0.67 -0.05 3.49 3.07 -1.99 0.66 115.11 121.00 2jps h GLN 5 Ca -0.49 -0.04 -0.22 0.00 0.09 0.00 0.00 58.65 58.00 2jps h GLN 5 Cb 1.99 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 29.40 2jps h GLN 5 CO 0.01 0.44 -0.86 1.88 0.09 0.00 0.00 178.83 180.39 2jps h TYR 6 N 0.69 0.69 -0.48 0.06 -1.99 -1.97 -1.75 116.97 112.22 2jps h TYR 6 Ca 0.46 -0.34 -0.12 0.00 2.00 0.00 0.00 58.73 60.73 2jps h TYR 6 Cb 0.76 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 2jps h TYR 6 CO -0.00 1.15 -0.16 1.15 -0.00 0.00 0.00 178.16 180.29 2jps h THR 7 N 0.30 1.27 -0.33 -2.88 2.02 -0.77 0.88 112.91 113.41 2jps h THR 7 Ca -0.06 -1.32 -0.18 0.00 0.77 0.00 0.00 66.41 65.62 2jps h THR 7 Cb 1.48 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2jps h THR 7 CO 0.15 0.46 -0.48 -0.08 0.37 0.00 0.00 175.52 175.93 2jps h GLU 8 N 0.82 0.91 -0.02 6.66 4.81 0.18 0.12 114.58 128.06 2jps h GLU 8 Ca 0.12 -0.54 -0.24 0.00 -0.13 0.00 0.00 59.36 58.57 2jps h GLU 8 Cb 0.73 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.17 2jps h GLU 8 CO 0.06 1.18 -0.96 -0.91 -0.73 0.00 0.00 179.01 177.65 2jps h ASN 9 N 0.72 0.71 -0.16 1.04 4.21 -1.23 -3.16 115.58 117.70 2jps h ASN 9 Ca 0.03 -0.55 -0.12 0.00 1.21 0.00 0.00 56.30 56.87 2jps h ASN 9 Cb 1.09 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 2jps h ASN 9 CO 0.11 1.35 -0.31 0.25 -1.29 0.00 0.00 177.43 177.55 2jps h LEU 10 N 0.32 0.68 -1.61 1.61 5.85 0.84 -2.79 115.31 120.21 2jps h LEU 10 Ca -0.09 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.39 2jps h LEU 10 Cb 1.60 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 2jps h LEU 10 CO 0.18 0.94 0.31 0.50 -0.34 0.00 0.00 178.44 180.03 2jps h LYS 11 N 0.56 0.50 -0.00 1.25 3.64 -0.74 0.18 116.57 121.95 2jps h LYS 11 Ca 0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jps h LYS 11 Cb 0.80 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2jps h LYS 11 CO 0.07 0.33 -0.00 0.28 -2.27 0.00 0.00 179.45 177.85 2jps h VAL 12 N 0.51 1.40 -0.60 2.00 2.07 -1.46 -1.61 116.25 118.55 2jps h VAL 12 Ca 0.19 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2jps h VAL 12 Cb 0.11 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2jps h VAL 12 CO -0.05 0.30 0.24 0.40 0.02 0.00 0.00 177.57 178.48 2jps h ILE 13 N -0.48 1.21 -0.55 4.57 2.04 -1.32 -2.27 117.51 120.71 2jps h ILE 13 Ca 0.00 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2jps h ILE 13 Cb 0.50 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2jps h ILE 13 CO 0.00 0.27 0.22 0.58 0.00 0.00 0.00 178.15 179.22 2jps h VAL 14 N 0.86 1.22 -0.35 1.67 2.07 -0.61 -2.08 116.25 119.04 2jps h VAL 14 Ca 0.20 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2jps h VAL 14 Cb 0.17 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2jps h VAL 14 CO -0.02 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.06 2jps h ALA 15 N 1.07 1.80 -0.93 1.67 0.00 -0.74 -1.79 119.26 120.34 2jps h ALA 15 Ca 0.18 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2jps h ALA 15 Cb 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2jps h ALA 15 CO -0.02 0.17 0.59 1.49 0.00 0.00 0.00 179.25 181.49 2jps h GLU 16 N 0.43 0.75 0.00 0.00 4.81 -0.87 0.63 114.58 120.33 2jps h GLU 16 Ca 0.13 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2jps h GLU 16 Cb 0.01 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2jps h GLU 16 CO -0.03 0.50 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.34 2jps h LYS 17 N 0.77 0.00 -0.33 1.92 1.63 -1.38 -2.32 116.57 116.86 2jps h LYS 17 Ca 0.47 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.32 2jps h LYS 17 Cb 0.68 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.26 2jps h LYS 17 CO -0.23 0.94 0.05 -0.07 -3.45 0.00 0.00 179.45 176.69 2jps h LEU 18 N -1.00 -0.02 -1.69 5.20 4.07 -1.16 0.57 115.31 121.29 2jps h LEU 18 Ca -0.05 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2jps h LEU 18 Cb 0.99 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 2jps h LEU 18 CO -0.03 0.03 -0.19 0.00 -1.08 0.00 0.00 178.44 177.17 2jps h ALA 19 N 1.26 1.37 0.08 1.53 0.00 0.13 -2.96 119.26 120.67 2jps h ALA 19 Ca 0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2jps h ALA 19 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jps h ALA 19 CO -0.22 0.23 -1.52 0.78 0.00 0.00 0.00 179.25 178.52 2jps h GLY 20 N 0.91 0.19 -5.03 0.00 0.00 -0.48 -3.47 103.07 95.19 2jps h GLY 20 Ca -0.00 -0.48 -0.63 0.00 0.00 0.00 0.00 47.33 46.22 2jps h GLY 20 CO 0.02 0.42 0.51 1.39 0.00 0.00 0.00 176.54 178.88 2jps n ILE 21 N -3.36 0.50 0.27 2.60 5.41 0.18 -4.85 119.36 120.11 2jps n ILE 21 Ca -0.15 -0.13 0.14 0.00 1.00 0.00 0.00 62.75 63.62 2jps n ILE 21 Cb 1.03 -1.13 0.71 0.00 -0.71 0.00 0.00 39.64 39.53 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 4.39 0.00 -0.89 0.38 0.13 -1.90 -2.89 132.00 131.22 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 1.31 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 2jps h PRO 22 CO 0.77 0.10 0.54 -1.71 -0.23 0.00 0.00 178.00 177.48 2jps n ASN 23 N -3.37 4.16 -3.69 1.44 5.15 -1.26 -4.74 115.26 112.95 2jps n ASN 23 Ca -0.01 -3.67 -0.28 0.00 -0.60 0.00 0.00 54.58 50.03 2jps n ASN 23 Cb 0.29 -0.82 -0.11 0.00 -0.53 0.00 0.00 39.78 38.61 2jps n ASN 23 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2jps n PHE 24 N -1.10 1.72 -0.09 1.20 3.01 -1.09 -4.92 117.46 116.19 2jps n PHE 24 Ca 0.56 -3.94 -0.21 0.00 1.01 0.00 0.00 57.45 54.87 2jps n PHE 24 Cb 1.41 -0.30 -0.12 0.00 -0.01 0.00 0.00 39.48 40.46 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jps n ASN 25 N 2.21 2.00 -4.77 4.37 4.13 -1.26 -4.77 115.26 117.18 2jps n ASN 25 Ca 0.24 0.09 -0.22 0.00 1.68 0.00 0.00 54.58 56.37 2jps n ASN 25 Cb 0.40 -0.66 -0.05 0.00 -1.54 0.00 0.00 39.78 37.93 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2jps s GLU 26 N -2.51 2.55 -1.30 3.52 -6.30 -1.26 -4.67 118.70 108.73 2jps s GLU 26 Ca -0.32 -1.37 -0.01 0.00 -2.50 0.00 0.00 54.97 50.77 2jps s GLU 26 Cb 0.09 -2.32 -0.00 0.00 0.00 0.00 0.00 34.13 31.90 2jps s GLU 26 CO 0.62 0.20 0.68 -0.25 0.02 0.00 0.00 175.26 176.54 2jps n ASP 27 N -1.17 -1.32 -0.09 -1.70 8.00 -1.26 -4.92 116.55 114.09 2jps n ASP 27 Ca -0.04 -0.84 -0.19 0.00 0.71 0.00 0.00 54.79 54.43 2jps n ASP 27 Cb 0.60 -3.98 -0.13 0.00 -0.02 0.00 0.00 41.12 37.59 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 -4.26 1.56 0.07 0.53 0.00 -1.26 -3.49 119.36 112.52 2jps n ILE 28 Ca -0.29 -0.60 -0.16 0.00 0.00 0.00 0.00 62.75 61.70 2jps n ILE 28 Cb 0.68 -1.48 -0.08 0.00 0.00 0.00 0.00 39.64 38.76 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 0.02 0.45 -0.18 9.51 1.57 -1.97 -3.00 116.57 122.97 2jps h LYS 29 Ca -0.54 -0.53 -0.12 0.00 -1.87 0.00 0.00 60.65 57.59 2jps h LYS 29 Cb 1.94 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.40 2jps h LYS 29 CO -0.04 1.18 -0.40 1.88 -0.57 0.00 0.00 179.45 181.51 2jps h TYR 30 N 0.23 0.48 -0.32 -1.35 0.05 -1.97 -2.84 116.97 111.25 2jps h TYR 30 Ca -0.11 -0.13 -0.13 0.00 0.05 0.00 0.00 58.73 58.41 2jps h TYR 30 Cb 1.69 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 39.31 2jps h TYR 30 CO 0.07 0.74 -0.34 0.28 -1.05 0.00 0.00 178.16 177.87 2jps h VAL 31 N 0.34 1.28 -0.64 -2.88 2.07 -1.59 -2.92 116.25 111.91 2jps h VAL 31 Ca 0.03 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 2jps h VAL 31 Cb 0.85 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2jps h VAL 31 CO 0.07 0.48 0.12 0.00 0.02 0.00 0.00 177.57 178.26 2jps h ALA 32 N 1.04 1.01 -0.47 1.67 0.00 -1.39 -1.94 119.26 119.18 2jps h ALA 32 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jps h ALA 32 Cb 0.85 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jps h ALA 32 CO 0.07 0.63 0.31 0.93 0.00 0.00 0.00 179.25 181.19 2jps h GLU 33 N 0.97 0.60 -0.75 0.00 5.08 -1.35 -0.67 114.58 118.47 2jps h GLU 33 Ca 0.20 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2jps h GLU 33 Cb 0.39 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2jps h GLU 33 CO 0.01 0.40 0.32 -0.92 -1.00 0.00 0.00 179.01 177.82 2jps h TYR 34 N 0.62 1.11 -0.40 4.33 3.20 -1.33 -0.22 116.97 124.28 2jps h TYR 34 Ca 0.17 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2jps h TYR 34 Cb -0.06 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.84 2jps h TYR 34 CO -0.05 0.83 0.22 0.82 -1.64 0.00 0.00 178.16 178.35 2jps h ILE 35 N 1.06 1.01 -0.77 1.81 2.04 -0.72 0.15 117.51 122.09 2jps h ILE 35 Ca 0.25 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 2jps h ILE 35 Cb 0.17 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2jps h ILE 35 CO -0.03 0.08 0.33 0.58 0.00 0.00 0.00 178.15 179.11 2jps h VAL 36 N 0.44 1.25 -0.64 1.67 2.07 -0.72 -0.45 116.25 119.88 2jps h VAL 36 Ca 0.17 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2jps h VAL 36 Cb 0.04 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2jps h VAL 36 CO -0.10 0.32 0.41 0.25 0.02 0.00 0.00 177.57 178.47 2jps h LEU 37 N 1.11 0.68 -0.72 2.57 5.85 -0.03 0.92 115.31 125.70 2jps h LEU 37 Ca 0.26 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2jps h LEU 37 Cb 0.18 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2jps h LEU 37 CO -0.03 0.48 0.32 -0.07 -0.34 0.00 0.00 178.44 178.81 2jps h LEU 38 N 0.81 0.97 -0.47 2.25 3.38 -0.39 0.99 115.31 122.85 2jps h LEU 38 Ca 0.25 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2jps h LEU 38 Cb -0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2jps h LEU 38 CO -0.08 0.85 -0.13 0.40 0.09 0.00 0.00 178.44 179.57 2jps h ILE 39 N 1.02 1.27 0.00 1.22 1.08 -0.00 0.91 117.51 123.00 2jps h ILE 39 Ca 0.24 -1.27 -0.04 0.00 -0.39 0.00 0.00 64.86 63.41 2jps h ILE 39 Cb 0.16 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2jps h ILE 39 CO -0.03 0.44 -0.18 0.58 -0.69 0.00 0.00 178.15 178.27 2jps h VAL 40 N 0.76 0.44 0.00 1.67 2.07 0.12 -3.27 116.25 118.04 2jps h VAL 40 Ca 0.12 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2jps h VAL 40 Cb 0.69 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 2jps h VAL 40 CO 0.05 0.17 -0.37 0.59 0.02 0.00 0.00 177.57 178.03 2jps n ASN 41 N -3.33 1.50 0.00 0.57 3.02 0.31 -4.91 115.26 112.42 2jps n ASN 41 Ca 0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 2jps n ASN 41 Cb 0.41 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2jps n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jps n GLY 42 N -0.79 -1.86 3.28 7.41 0.00 0.31 -4.95 105.19 108.59 2jps n GLY 42 Ca 0.12 0.83 -0.39 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 1.83 2.66 -0.02 0.00 -1.23 -4.38 105.19 104.06 2jps n GLY 43 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 7.04 -0.21 0.51 2.61 -4.23 -1.26 -5.02 115.64 115.07 2jps s THR 44 Ca 0.62 -0.31 0.32 0.00 -1.18 0.00 0.00 61.69 61.14 2jps s THR 44 Cb 0.11 -0.75 0.51 0.00 1.34 0.00 0.00 72.50 73.71 2jps s THR 44 CO 0.16 -0.37 1.80 0.58 -0.54 0.00 0.00 174.62 176.25 2jps h VAL 45 N 6.36 0.45 -0.10 2.29 2.07 -1.95 0.84 116.25 126.20 2jps h VAL 45 Ca -0.17 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 2jps h VAL 45 Cb 1.11 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jps h VAL 45 CO 0.32 0.02 -0.56 -0.08 0.02 0.00 0.00 177.57 177.29 2jps h GLU 46 N 0.09 0.57 0.06 1.57 4.81 -1.96 0.36 114.58 120.08 2jps h GLU 46 Ca 0.56 -0.47 -0.24 0.00 -0.13 0.00 0.00 59.36 59.08 2jps h GLU 46 Cb 2.03 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.51 2jps h GLU 46 CO -0.08 1.09 -1.07 1.03 -0.73 0.00 0.00 179.01 179.25 2jps h SER 47 N 0.18 0.39 0.35 1.04 0.87 -1.34 -2.23 113.55 112.82 2jps h SER 47 Ca -0.04 -0.36 -0.14 0.00 -1.23 0.00 0.00 61.79 60.01 2jps h SER 47 Cb 1.21 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2jps h SER 47 CO 0.12 1.22 -0.59 0.58 -0.53 0.00 0.00 176.83 177.63 2jps h VAL 48 N 0.12 1.38 0.05 2.23 2.07 0.56 -0.92 116.25 121.74 2jps h VAL 48 Ca -0.09 -1.95 -0.28 0.00 0.82 0.00 0.00 66.70 65.20 2jps h VAL 48 Cb 1.76 1.98 0.03 0.00 -1.52 0.00 0.00 31.29 33.53 2jps h VAL 48 CO 0.17 0.58 -1.12 1.62 0.02 0.00 0.00 177.57 178.84 2jps h VAL 49 N 0.18 1.28 -0.19 2.57 3.04 -0.95 -2.68 116.25 119.52 2jps h VAL 49 Ca -0.00 -2.33 -0.10 0.00 -1.01 0.00 0.00 66.70 63.25 2jps h VAL 49 Cb 1.09 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.89 2jps h VAL 49 CO 0.09 0.72 -0.33 -0.78 -1.01 0.00 0.00 177.57 176.26 2jps h ASP 50 N 0.32 0.39 -0.26 3.17 1.82 -1.38 -1.31 116.42 119.17 2jps h ASP 50 Ca -0.16 -0.14 -0.18 0.00 -0.39 0.00 0.00 57.03 56.17 2jps h ASP 50 Cb 1.78 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 41.69 2jps h ASP 50 CO 0.22 0.70 -0.50 -0.33 -1.61 0.00 0.00 179.24 177.71 2jps h GLU 51 N 0.33 0.84 -0.26 0.28 5.08 -1.19 -1.36 114.58 118.30 2jps h GLU 51 Ca 0.04 -0.51 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 2jps h GLU 51 Cb 0.74 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2jps h GLU 51 CO 0.06 1.14 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.62 2jps h LEU 52 N 0.66 0.85 -0.70 1.33 3.38 -1.34 -3.04 115.31 116.44 2jps h LEU 52 Ca 0.03 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 2jps h LEU 52 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2jps h LEU 52 CO 0.11 1.21 -0.09 0.00 0.09 0.00 0.00 178.44 179.76 2jps h ALA 53 N 0.81 0.89 -0.54 1.53 0.00 -1.20 0.94 119.26 121.69 2jps h ALA 53 Ca 0.02 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2jps h ALA 53 Cb 1.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2jps h ALA 53 CO 0.11 0.64 0.36 1.03 0.00 0.00 0.00 179.25 181.39 2jps h SER 54 N 0.82 0.46 0.03 0.00 0.87 -1.15 -2.30 113.55 112.29 2jps h SER 54 Ca 0.14 -0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.33 2jps h SER 54 Cb 0.61 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 2jps h SER 54 CO 0.04 0.31 -2.10 0.18 -0.53 0.00 0.00 176.83 174.73 2jps n LEU 55 N -4.47 2.32 -4.18 2.23 4.77 -1.02 -4.63 117.00 112.00 2jps n LEU 55 Ca 0.07 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.88 2jps n LEU 55 Cb 0.22 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 2jps n LEU 55 CO 0.34 0.65 0.55 0.49 -1.33 0.00 0.00 177.39 178.09 2jps n PHE 56 N -3.90 4.56 -0.35 -1.77 3.72 0.32 -4.86 117.46 115.18 2jps n PHE 56 Ca -0.42 -3.99 0.05 0.00 -0.05 0.00 0.00 57.45 53.03 2jps n PHE 56 Cb 0.89 -1.35 0.29 0.00 -0.94 0.00 0.00 39.48 38.37 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 2.37 4.39 0.02 4.37 2.03 -0.87 -4.17 116.55 124.69 2jps n ASP 57 Ca 0.23 -2.67 0.11 0.00 0.52 0.00 0.00 54.79 52.98 2jps n ASP 57 Cb 0.38 -0.63 -0.09 0.00 -0.72 0.00 0.00 41.12 40.05 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 0.44 0.41 -4.91 1.67 2.88 -1.26 -4.93 113.62 107.91 2jps n SER 58 Ca 0.20 -0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.34 2jps n SER 58 Cb 0.93 1.32 -0.04 0.00 -0.75 0.00 0.00 64.21 65.67 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 -3.36 5.38 0.39 2.46 1.01 -1.26 -5.06 120.40 119.95 2jps s VAL 59 Ca -0.02 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 2jps s VAL 59 Cb 0.13 -3.60 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 2jps s VAL 59 CO 0.86 0.18 1.26 -1.20 0.00 0.00 0.00 175.10 176.20 2jps n SER 60 N 0.43 2.57 -0.26 3.32 7.64 -1.26 -4.82 113.62 121.23 2jps n SER 60 Ca -0.06 1.15 0.15 0.00 1.01 0.00 0.00 58.87 61.11 2jps n SER 60 Cb 0.51 -1.49 0.42 0.00 -1.01 0.00 0.00 64.21 62.65 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 2.25 0.58 -0.64 1.43 3.08 -1.97 -0.47 114.38 118.64 2jps h ARG 61 Ca -0.47 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.57 2jps h ARG 61 Cb 1.29 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2jps h ARG 61 CO 0.61 0.38 0.42 0.38 -1.07 0.00 0.00 179.97 180.69 2jps h ASP 62 N 0.59 0.68 -0.25 7.04 3.04 -1.98 0.20 116.42 125.74 2jps h ASP 62 Ca 0.47 -0.01 -0.14 0.00 -3.24 0.00 0.00 57.03 54.11 2jps h ASP 62 Cb 0.89 -0.16 -0.00 0.00 -1.04 0.00 0.00 39.33 39.02 2jps h ASP 62 CO -0.21 0.47 -0.38 0.74 -2.04 0.00 0.00 179.24 177.83 2jps h THR 63 N 0.79 1.31 -0.45 1.15 2.02 -1.43 -1.02 112.91 115.28 2jps h THR 63 Ca 0.25 -1.57 -0.13 0.00 0.77 0.00 0.00 66.41 65.72 2jps h THR 63 Cb 0.02 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2jps h THR 63 CO -0.06 0.50 -0.23 -0.07 0.37 0.00 0.00 175.52 176.02 2jps h LEU 64 N 0.42 0.99 -0.97 2.58 4.07 -1.25 -2.89 115.31 118.25 2jps h LEU 64 Ca 0.02 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.50 2jps h LEU 64 Cb 0.97 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2jps h LEU 64 CO 0.09 1.18 -0.06 0.00 -1.08 0.00 0.00 178.44 178.57 2jps h ALA 65 N 0.84 1.14 -0.90 1.53 0.00 -0.59 -2.75 119.26 118.54 2jps h ALA 65 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jps h ALA 65 Cb 0.81 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2jps h ALA 65 CO 0.07 0.55 0.57 -0.91 0.00 0.00 0.00 179.25 179.53 2jps h ASN 66 N 0.63 1.05 -0.42 0.00 4.21 -0.98 -2.05 115.58 118.03 2jps h ASN 66 Ca 0.12 -0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.46 2jps h ASN 66 Cb 0.48 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 2jps h ASN 66 CO 0.03 0.79 -0.22 0.58 -1.29 0.00 0.00 177.43 177.31 2jps h VAL 67 N 1.23 1.28 -0.85 2.81 2.07 -1.34 -2.78 116.25 118.67 2jps h VAL 67 Ca 0.33 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.53 2jps h VAL 67 Cb -0.10 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2jps h VAL 67 CO -0.07 0.46 0.55 0.58 0.02 0.00 0.00 177.57 179.12 2jps h VAL 68 N 0.71 1.07 -0.30 2.57 2.07 -1.19 -0.44 116.25 120.74 2jps h VAL 68 Ca 0.09 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2jps h VAL 68 Cb 0.79 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2jps h VAL 68 CO 0.07 0.18 0.06 1.56 0.02 0.00 0.00 177.57 179.45 2jps h GLN 69 N 0.96 0.43 -0.00 1.57 1.08 -1.11 -1.49 115.11 116.54 2jps h GLN 69 Ca 0.36 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2jps h GLN 69 Cb 0.19 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2jps h GLN 69 CO -0.13 0.41 -0.00 1.79 -0.95 0.00 0.00 178.83 179.95 2jps h THR 70 N 0.43 1.33 -0.83 -0.54 1.35 -0.93 -2.07 112.91 111.65 2jps h THR 70 Ca 0.10 -0.97 0.05 0.00 -0.55 0.00 0.00 66.41 65.04 2jps h THR 70 Cb 0.18 1.99 -0.05 0.00 -1.73 0.00 0.00 68.15 68.54 2jps h THR 70 CO -0.00 0.25 0.54 0.00 -0.25 0.00 0.00 175.52 176.06 2jps h ALA 71 N 0.59 1.55 -0.05 6.62 0.00 -1.18 0.21 119.26 126.99 2jps h ALA 71 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jps h ALA 71 Cb 0.42 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jps h ALA 71 CO 0.00 0.34 0.03 0.74 0.00 0.00 0.00 179.25 180.36 2jps h PHE 72 N 0.96 0.08 -0.77 0.00 -1.00 -1.15 -0.73 116.94 114.33 2jps h PHE 72 Ca 0.34 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.08 2jps h PHE 72 Cb 0.14 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 2jps h PHE 72 CO -0.00 0.17 0.32 0.74 -1.61 0.00 0.00 178.31 177.93 2jps h PHE 73 N -0.04 1.15 -0.96 -0.55 0.04 -0.69 -2.38 116.94 113.52 2jps h PHE 73 Ca 0.02 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.73 2jps h PHE 73 Cb 0.12 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 37.87 2jps h PHE 73 CO -0.03 0.86 0.63 0.00 -0.60 0.00 0.00 178.31 179.17 2jps h ALA 74 N 1.23 1.34 -0.94 2.45 0.00 -0.21 -1.66 119.26 121.48 2jps h ALA 74 Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2jps h ALA 74 Cb 0.18 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2jps h ALA 74 CO -0.02 0.59 0.60 -0.07 0.00 0.00 0.00 179.25 180.35 2jps h LEU 75 N 1.26 0.96 -0.36 0.00 -0.00 -0.60 0.39 115.31 116.97 2jps h LEU 75 Ca 0.36 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 58.09 2jps h LEU 75 Cb -0.09 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.37 2jps h LEU 75 CO -0.09 0.63 -0.38 -0.33 -0.00 0.00 0.00 178.44 178.26 2jps h GLU 76 N 1.11 0.89 -0.52 1.13 3.07 -1.30 -2.30 114.58 116.65 2jps h GLU 76 Ca 0.40 -0.48 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 2jps h GLU 76 Cb 0.13 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2jps h GLU 76 CO -0.16 1.13 -0.10 0.00 -1.40 0.00 0.00 179.01 178.48 2jps h ALA 77 N 0.75 0.83 -0.77 3.43 0.00 -0.55 -2.87 119.26 120.07 2jps h ALA 77 Ca 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2jps h ALA 77 Cb 0.98 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2jps h ALA 77 CO 0.09 0.66 0.31 -0.07 0.00 0.00 0.00 179.25 180.24 2jps h LEU 78 N 0.87 1.06 -1.84 0.00 3.38 -0.17 -1.24 115.31 117.36 2jps h LEU 78 Ca 0.14 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2jps h LEU 78 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jps h LEU 78 CO 0.04 0.94 0.22 1.56 0.09 0.00 0.00 178.44 181.29 2jps h GLN 79 N 1.12 0.20 0.18 1.13 4.20 -1.19 -2.76 115.11 117.99 2jps h GLN 79 Ca 0.26 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.61 2jps h GLN 79 Cb 0.21 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.95 2jps h GLN 79 CO -0.02 0.13 -1.74 0.37 -0.67 0.00 0.00 178.83 176.89 2jps h GLN 80 N 0.20 0.37 0.00 1.46 4.15 -1.34 -3.49 115.11 116.46 2jps h GLN 80 Ca 0.14 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2jps h GLN 80 Cb 0.30 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2jps h GLN 80 CO -0.02 1.31 0.00 0.41 -1.93 0.00 0.00 178.83 178.59 2jps n GLY 81 N 1.87 0.53 3.66 2.39 0.00 -0.53 -5.14 105.19 107.96 2jps n GLY 81 Ca -0.25 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.10 1.61 2.12 -1.20 -4.99 118.70 118.17 2jps s GLU 82 Ca 0.00 -2.10 -0.01 0.00 0.36 0.00 0.00 54.97 53.22 2jps s GLU 82 Cb 0.00 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.68 2jps s GLU 82 CO 0.00 -0.10 -0.07 -1.54 -0.54 0.00 0.00 175.26 173.01 2jps s SER 83 N -3.76 4.62 -0.19 -1.70 1.04 -1.26 -4.94 113.70 107.51 2jps s SER 83 Ca 0.33 -0.09 0.13 0.00 0.48 0.00 0.00 55.95 56.79 2jps s SER 83 Cb 0.08 -1.40 -0.23 0.00 0.10 0.00 0.00 66.02 64.57 2jps s SER 83 CO 0.17 0.28 0.11 0.00 0.98 0.00 0.00 173.24 174.78 2jps n ALA 84 N 2.76 1.45 -0.26 5.32 0.00 -1.26 -4.37 120.51 124.15 2jps n ALA 84 Ca -0.18 -1.17 0.08 0.00 0.00 0.00 0.00 53.44 52.17 2jps n ALA 84 Cb 0.53 -0.28 0.33 0.00 0.00 0.00 0.00 19.45 20.02 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 0.79 -0.74 0.00 4.39 -1.95 -1.08 114.58 116.00 2jps h GLU 85 Ca -0.51 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.20 2jps h GLU 85 Cb 2.13 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 30.56 2jps h GLU 85 CO 0.01 0.52 0.49 -0.91 -1.16 0.00 0.00 179.01 177.96 2jps h ASN 86 N 0.81 0.68 -0.45 1.42 2.35 -2.02 -1.37 115.58 117.01 2jps h ASN 86 Ca 0.41 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.09 2jps h ASN 86 Cb 0.46 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2jps h ASN 86 CO -0.17 0.44 0.04 0.40 -1.65 0.00 0.00 177.43 176.49 2jps h ILE 87 N 0.78 1.24 -0.76 2.81 1.08 -1.42 -2.71 117.51 118.53 2jps h ILE 87 Ca 0.32 -0.97 0.02 0.00 -0.39 0.00 0.00 64.86 63.83 2jps h ILE 87 Cb 0.26 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 2jps h ILE 87 CO -0.11 0.35 0.50 0.58 -0.69 0.00 0.00 178.15 178.78 2jps h VAL 88 N 0.79 1.17 -0.87 1.67 2.07 -1.21 -1.96 116.25 117.91 2jps h VAL 88 Ca 0.16 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.40 2jps h VAL 88 Cb 0.42 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 2jps h VAL 88 CO 0.01 0.18 0.54 0.28 0.02 0.00 0.00 177.57 178.61 2jps h SER 89 N 0.99 0.86 0.14 0.57 0.02 -1.37 0.20 113.55 114.96 2jps h SER 89 Ca 0.29 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2jps h SER 89 Cb -0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jps h SER 89 CO -0.07 0.55 -0.43 0.50 -1.14 0.00 0.00 176.83 176.24 2jps h LYS 90 N 0.99 0.36 -0.24 3.45 1.63 -1.41 -2.32 116.57 119.04 2jps h LYS 90 Ca 0.38 -0.19 -0.19 0.00 -0.85 0.00 0.00 60.65 59.80 2jps h LYS 90 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2jps h LYS 90 CO -0.17 0.73 -0.60 0.82 -3.45 0.00 0.00 179.45 176.78 2jps h ILE 91 N 0.30 1.29 -0.60 2.00 1.08 -0.65 -0.67 117.51 120.26 2jps h ILE 91 Ca 0.02 -1.81 -0.08 0.00 -0.39 0.00 0.00 64.86 62.61 2jps h ILE 91 Cb 0.89 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 2jps h ILE 91 CO 0.07 0.58 0.06 -0.09 -0.69 0.00 0.00 178.15 178.09 2jps h ARG 92 N 0.59 0.99 -0.16 2.37 1.12 -0.57 0.45 114.38 119.17 2jps h ARG 92 Ca -0.00 -0.27 -0.21 0.00 -1.11 0.00 0.00 59.98 58.39 2jps h ARG 92 Cb 1.20 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 31.06 2jps h ARG 92 CO 0.13 0.93 -0.73 1.98 -3.11 0.00 0.00 179.97 179.17 2jps h MET 93 N 0.92 0.73 -0.23 0.20 4.05 -1.37 -0.42 114.93 118.83 2jps h MET 93 Ca 0.18 -0.57 -0.17 0.00 -0.28 0.00 0.00 59.70 58.85 2jps h MET 93 Cb 0.45 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 2jps h MET 93 CO 0.02 1.19 -0.56 1.98 0.23 0.00 0.00 176.91 179.77 2jps h MET 94 N 0.51 0.69 -0.19 0.39 4.05 -0.89 -0.93 114.93 118.55 2jps h MET 94 Ca -0.04 -0.44 -0.18 0.00 -0.28 0.00 0.00 59.70 58.76 2jps h MET 94 Cb 1.35 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.20 2jps h MET 94 CO 0.15 1.06 -0.62 -0.91 0.23 0.00 0.00 176.91 176.82 2jps h ASN 95 N 0.53 0.76 -0.34 1.39 2.35 -0.10 -2.68 115.58 117.49 2jps h ASN 95 Ca 0.01 -0.44 -0.14 0.00 -0.55 0.00 0.00 56.30 55.18 2jps h ASN 95 Cb 1.13 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 2jps h ASN 95 CO 0.11 1.20 -0.30 0.00 -1.65 0.00 0.00 177.43 176.79 2jps h ALA 96 N 0.80 0.72 -0.87 -0.83 0.00 -1.02 -2.97 119.26 115.10 2jps h ALA 96 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2jps h ALA 96 Cb 1.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2jps h ALA 96 CO 0.12 0.66 0.47 1.96 0.00 0.00 0.00 179.25 182.47 2jps h GLN 97 N 0.73 1.21 -0.80 0.00 4.20 -1.11 0.46 115.11 119.79 2jps h GLN 97 Ca 0.08 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2jps h GLN 97 Cb 0.86 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2jps h GLN 97 CO 0.08 0.89 0.51 1.03 -0.67 0.00 0.00 178.83 180.66 2jps h SER 98 N 1.21 0.94 -0.59 1.46 0.87 -1.32 -2.92 113.55 113.20 2jps h SER 98 Ca 0.31 -0.04 -0.42 0.00 -1.23 0.00 0.00 61.79 60.41 2jps h SER 98 Cb 0.03 -0.23 -0.30 0.00 -0.44 0.00 0.00 62.40 61.45 2jps h SER 98 CO -0.05 0.70 -0.51 0.18 -0.53 0.00 0.00 176.83 176.62 2jps n LEU 99 N -4.40 4.71 -2.68 2.23 4.77 -0.87 -4.70 117.00 116.07 2jps n LEU 99 Ca 0.09 -4.45 -0.02 0.00 -0.03 0.00 0.00 56.01 51.60 2jps n LEU 99 Cb 0.05 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.79 2jps n LEU 99 CO 0.37 1.83 0.58 0.61 -1.33 0.00 0.00 177.39 179.45 2jps n GLY 100 N -0.85 1.97 3.00 -0.72 0.00 0.16 -4.98 105.19 103.76 2jps n GLY 100 Ca 0.40 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.14 1.82 -1.30 1.61 0.74 -1.23 -4.76 119.66 116.39 2jps s GLN 101 Ca 0.12 -1.33 -0.02 0.00 0.05 0.00 0.00 55.36 54.18 2jps s GLN 101 Cb 0.44 -2.81 -0.00 0.00 1.10 0.00 0.00 33.01 31.73 2jps s GLN 101 CO -0.12 -0.67 0.65 0.45 -0.55 0.00 0.00 175.29 175.05 2jps n SER 102 N 4.49 -1.52 -4.41 6.67 2.88 -1.26 -4.99 113.62 115.47 2jps n SER 102 Ca -0.09 -0.88 -0.23 0.00 -1.33 0.00 0.00 58.87 56.34 2jps n SER 102 Cb 0.43 -3.81 -0.11 0.00 -0.75 0.00 0.00 64.21 59.97 2jps n SER 102 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jps s ASP 103 N -4.25 3.20 -0.34 -3.46 1.01 -1.26 -5.07 116.67 106.49 2jps s ASP 103 Ca 0.06 -0.96 0.15 0.00 0.71 0.00 0.00 52.55 52.51 2jps s ASP 103 Cb -0.02 -0.23 0.46 0.00 1.01 0.00 0.00 42.92 44.14 2jps s ASP 103 CO 0.83 0.00 1.03 2.30 0.21 0.00 0.00 175.17 179.54 2jps n ILE 104 N -0.21 1.47 -0.02 0.77 -5.35 -1.26 -5.11 119.36 109.65 2jps n ILE 104 Ca -0.09 -3.58 0.00 0.00 -0.27 0.00 0.00 62.75 58.81 2jps n ILE 104 Cb 0.59 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79