#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 0.89 -3.52 7.83 2.88 -1.26 -4.93 113.62 115.51 2jps n SER 2 Ca 0.00 0.11 -0.27 0.00 -1.33 0.00 0.00 58.87 57.38 2jps n SER 2 Cb 0.00 -0.27 -0.09 0.00 -0.75 0.00 0.00 64.21 63.10 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jps n GLN 3 N -3.41 1.99 -0.07 -1.46 1.13 -1.26 -4.88 117.38 109.42 2jps n GLN 3 Ca -0.00 -4.36 -0.18 0.00 -1.94 0.00 0.00 57.00 50.52 2jps n GLN 3 Cb 0.11 -2.11 -0.13 0.00 0.11 0.00 0.00 30.24 28.23 2jps n GLN 3 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jps n GLU 4 N 1.33 0.69 -0.28 -1.09 2.13 -1.26 -3.50 120.64 118.67 2jps n GLU 4 Ca 0.26 0.18 0.10 0.00 0.66 0.00 0.00 57.16 58.37 2jps n GLU 4 Cb 0.41 -1.60 0.35 0.00 0.27 0.00 0.00 31.44 30.87 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2jps h GLN 5 N 0.03 0.73 -0.12 5.31 3.07 -1.99 0.59 115.11 122.73 2jps h GLN 5 Ca -0.51 -0.04 -0.23 0.00 0.09 0.00 0.00 58.65 57.96 2jps h GLN 5 Cb 1.98 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 29.39 2jps h GLN 5 CO -0.01 0.49 -0.82 1.88 0.09 0.00 0.00 178.83 180.46 2jps h TYR 6 N 0.76 1.06 -0.71 0.06 -1.99 -1.97 -2.58 116.97 111.59 2jps h TYR 6 Ca 0.44 -0.49 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 2jps h TYR 6 Cb 0.62 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 2jps h TYR 6 CO -0.00 1.32 0.31 1.15 -0.00 0.00 0.00 178.16 180.94 2jps h THR 7 N 0.49 1.24 -0.55 -2.88 2.02 -1.03 0.84 112.91 113.05 2jps h THR 7 Ca -0.07 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 2jps h THR 7 Cb 1.46 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2jps h THR 7 CO 0.17 0.30 0.10 -0.33 0.37 0.00 0.00 175.52 176.13 2jps h GLU 8 N 1.01 0.91 -0.14 6.66 5.08 0.09 0.32 114.58 128.51 2jps h GLU 8 Ca 0.24 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 2jps h GLU 8 Cb 0.18 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jps h GLU 8 CO -0.02 0.87 -0.72 -0.91 -1.00 0.00 0.00 179.01 177.22 2jps h ASN 9 N 0.80 0.87 -0.74 1.42 4.21 -1.17 -3.14 115.58 117.83 2jps h ASN 9 Ca 0.17 -0.64 -0.03 0.00 1.21 0.00 0.00 56.30 57.02 2jps h ASN 9 Cb 0.39 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 2jps h ASN 9 CO 0.01 1.37 0.36 -0.07 -1.29 0.00 0.00 177.43 177.81 2jps h LEU 10 N 0.44 0.98 -2.08 1.61 3.38 0.90 -1.85 115.31 118.68 2jps h LEU 10 Ca -0.05 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2jps h LEU 10 Cb 1.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2jps h LEU 10 CO 0.15 0.83 0.21 0.50 0.09 0.00 0.00 178.44 180.21 2jps h LYS 11 N 1.07 0.00 0.06 1.13 3.64 -0.32 0.48 116.57 122.63 2jps h LYS 11 Ca 0.26 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 2jps h LYS 11 Cb 0.11 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2jps h LYS 11 CO -0.03 0.00 -0.51 0.28 -2.27 0.00 0.00 179.45 176.91 2jps h VAL 12 N 0.00 1.55 -0.24 2.00 2.07 -1.36 -2.27 116.25 118.00 2jps h VAL 12 Ca 0.12 -2.28 -0.10 0.00 0.82 0.00 0.00 66.70 65.26 2jps h VAL 12 Cb 0.53 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 2jps h VAL 12 CO -0.00 0.64 -0.27 0.40 0.02 0.00 0.00 177.57 178.36 2jps h ILE 13 N -0.44 1.27 -0.47 4.57 2.04 -1.12 -2.11 117.51 121.24 2jps h ILE 13 Ca -0.08 -1.29 -0.14 0.00 1.00 0.00 0.00 64.86 64.35 2jps h ILE 13 Cb 1.33 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2jps h ILE 13 CO 0.10 0.41 -0.24 0.58 0.00 0.00 0.00 178.15 178.99 2jps h VAL 14 N 0.41 1.27 -0.20 1.67 2.07 -0.13 -2.94 116.25 118.40 2jps h VAL 14 Ca 0.06 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 2jps h VAL 14 Cb 0.69 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2jps h VAL 14 CO 0.05 0.49 -0.24 0.00 0.02 0.00 0.00 177.57 177.89 2jps h ALA 15 N 0.86 1.23 -0.90 1.67 0.00 -1.18 -2.54 119.26 118.40 2jps h ALA 15 Ca 0.10 -0.31 0.18 0.00 0.00 0.00 0.00 54.91 54.88 2jps h ALA 15 Cb 0.83 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2jps h ALA 15 CO 0.07 0.50 0.58 1.49 0.00 0.00 0.00 179.25 181.90 2jps h GLU 16 N 0.32 0.49 0.11 0.00 4.81 -1.19 0.76 114.58 119.88 2jps h GLU 16 Ca 0.05 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 2jps h GLU 16 Cb 0.60 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2jps h GLU 16 CO 0.04 0.33 -1.46 0.87 -0.73 0.00 0.00 179.01 178.06 2jps h LYS 17 N 0.51 0.22 0.05 1.92 1.79 -1.58 -2.71 116.57 116.78 2jps h LYS 17 Ca 0.47 -0.38 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2jps h LYS 17 Cb 1.01 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2jps h LYS 17 CO -0.20 1.18 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.26 2jps h LEU 18 N -0.32 -0.06 -1.70 2.94 3.38 -1.02 0.30 115.31 118.83 2jps h LEU 18 Ca -0.32 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2jps h LEU 18 Cb 1.75 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 2jps h LEU 18 CO 0.04 0.11 -0.18 0.00 0.09 0.00 0.00 178.44 178.50 2jps h ALA 19 N 0.70 1.47 0.02 1.53 0.00 0.35 -2.78 119.26 120.56 2jps h ALA 19 Ca -0.01 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 2jps h ALA 19 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jps h ALA 19 CO 0.01 0.23 -0.99 0.78 0.00 0.00 0.00 179.25 179.28 2jps h GLY 20 N 0.77 0.42 -5.00 0.00 0.00 -1.09 -3.45 103.07 94.72 2jps h GLY 20 Ca -0.00 -0.79 -0.61 0.00 0.00 0.00 0.00 47.33 45.93 2jps h GLY 20 CO 0.02 0.70 0.64 1.39 0.00 0.00 0.00 176.54 179.29 2jps n ILE 21 N -3.71 0.30 0.25 2.60 5.41 0.05 -4.86 119.36 119.41 2jps n ILE 21 Ca -0.07 -0.08 0.13 0.00 1.00 0.00 0.00 62.75 63.74 2jps n ILE 21 Cb 0.86 -1.32 0.63 0.00 -0.71 0.00 0.00 39.64 39.10 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 5.02 0.00 -0.86 0.38 0.13 -1.88 -2.97 132.00 131.83 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 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 2jps h PRO 22 CO 0.82 0.14 0.48 0.09 -0.23 0.00 0.00 178.00 179.30 2jps n ASN 23 N -3.38 4.42 -3.36 1.44 4.13 -1.26 -4.71 115.26 112.54 2jps n ASN 23 Ca -0.01 -3.70 -0.26 0.00 1.68 0.00 0.00 54.58 52.30 2jps n ASN 23 Cb 0.33 -0.81 -0.09 0.00 -1.54 0.00 0.00 39.78 37.68 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2jps n PHE 24 N -1.07 0.54 -0.08 3.10 -0.00 -1.12 -4.93 117.46 113.89 2jps n PHE 24 Ca 0.54 -3.67 -0.17 0.00 -0.00 0.00 0.00 57.45 54.15 2jps n PHE 24 Cb 1.29 -0.24 -0.13 0.00 -0.00 0.00 0.00 39.48 40.39 2jps n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2jps n ASN 25 N 1.76 1.72 -4.88 -2.13 2.85 -1.26 -4.68 115.26 108.64 2jps n ASN 25 Ca 0.25 0.01 -0.21 0.00 -0.11 0.00 0.00 54.58 54.52 2jps n ASN 25 Cb 0.48 -0.35 -0.03 0.00 1.24 0.00 0.00 39.78 41.11 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 -2.53 3.07 -1.49 1.20 2.12 -1.26 -4.53 118.70 115.28 2jps s GLU 26 Ca -0.27 -0.99 -0.11 0.00 0.36 0.00 0.00 54.97 53.97 2jps s GLU 26 Cb 0.08 -2.67 0.07 0.00 0.26 0.00 0.00 34.13 31.87 2jps s GLU 26 CO 0.69 0.35 0.89 -0.25 -0.54 0.00 0.00 175.26 176.40 2jps n ASP 27 N -1.31 -3.77 -0.12 -1.70 8.00 -1.26 -4.89 116.55 111.51 2jps n ASP 27 Ca -0.07 -0.81 -0.17 0.00 0.71 0.00 0.00 54.79 54.45 2jps n ASP 27 Cb 0.58 -3.82 -0.13 0.00 -0.02 0.00 0.00 41.12 37.73 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 -4.58 1.49 0.08 0.53 0.00 -1.26 -3.49 119.36 112.13 2jps n ILE 28 Ca -0.04 -0.63 -0.19 0.00 0.00 0.00 0.00 62.75 61.89 2jps n ILE 28 Cb 0.56 -1.26 -0.10 0.00 0.00 0.00 0.00 39.64 38.84 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 0.00 0.53 0.00 9.51 1.57 -1.93 -3.05 116.57 123.20 2jps h LYS 29 Ca -0.56 -0.67 -0.13 0.00 -1.87 0.00 0.00 60.65 57.42 2jps h LYS 29 Cb 1.97 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 34.48 2jps h LYS 29 CO -0.06 1.28 -0.61 1.88 -0.57 0.00 0.00 179.45 181.37 2jps h TYR 30 N 0.25 0.00 0.00 -1.35 0.05 -1.98 -3.06 116.97 110.88 2jps h TYR 30 Ca -0.15 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.53 2jps h TYR 30 Cb 1.81 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.54 2jps h TYR 30 CO 0.09 0.61 -0.50 -0.24 -1.05 0.00 0.00 178.16 177.07 2jps h VAL 31 N 0.00 1.15 -0.22 -2.88 3.04 -1.59 -3.09 116.25 112.66 2jps h VAL 31 Ca -0.01 -1.83 -0.15 0.00 -1.01 0.00 0.00 66.70 63.70 2jps h VAL 31 Cb 1.09 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.41 2jps h VAL 31 CO 0.08 0.49 -0.49 0.00 -1.01 0.00 0.00 177.57 176.63 2jps h ALA 32 N 1.50 0.72 -0.48 3.17 0.00 -1.43 -2.30 119.26 120.45 2jps h ALA 32 Ca -0.00 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2jps h ALA 32 Cb 1.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2jps h ALA 32 CO 0.06 0.67 0.29 0.93 0.00 0.00 0.00 179.25 181.21 2jps h GLU 33 N 0.48 0.56 -0.74 0.00 5.08 -1.52 0.24 114.58 118.68 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 1.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2jps h GLU 33 CO 0.10 0.37 0.21 -0.92 -1.00 0.00 0.00 179.01 177.77 2jps h TYR 34 N 0.58 1.20 -0.18 4.33 3.20 -1.54 0.26 116.97 124.82 2jps h TYR 34 Ca 0.19 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2jps h TYR 34 Cb 0.00 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2jps h TYR 34 CO -0.06 0.96 0.11 0.82 -1.64 0.00 0.00 178.16 178.34 2jps h ILE 35 N 1.10 1.09 -0.80 1.81 2.04 -0.75 -0.51 117.51 121.49 2jps h ILE 35 Ca 0.23 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 2jps h ILE 35 Cb 0.33 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2jps h ILE 35 CO -0.00 0.08 0.33 0.58 0.00 0.00 0.00 178.15 179.14 2jps h VAL 36 N 0.20 1.26 -0.67 1.67 2.07 -0.23 -0.96 116.25 119.59 2jps h VAL 36 Ca 0.06 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.84 2jps h VAL 36 Cb 0.04 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 2jps h VAL 36 CO -0.01 0.33 0.38 0.25 0.02 0.00 0.00 177.57 178.54 2jps h LEU 37 N 1.15 0.57 -0.61 2.57 5.85 0.13 0.41 115.31 125.37 2jps h LEU 37 Ca 0.27 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 2jps h LEU 37 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2jps h LEU 37 CO -0.02 0.37 0.13 -0.07 -0.34 0.00 0.00 178.44 178.50 2jps h LEU 38 N 0.70 0.95 -0.38 2.25 3.38 -0.57 -1.31 115.31 120.34 2jps h LEU 38 Ca 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2jps h LEU 38 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2jps h LEU 38 CO -0.18 0.95 0.21 0.40 0.09 0.00 0.00 178.44 179.92 2jps h ILE 39 N 0.91 1.14 -0.73 1.22 1.08 0.18 -2.37 117.51 118.95 2jps h ILE 39 Ca 0.19 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2jps h ILE 39 Cb 0.39 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 2jps h ILE 39 CO 0.01 0.15 0.39 0.58 -0.69 0.00 0.00 178.15 178.59 2jps h VAL 40 N 0.48 1.22 -0.79 1.67 2.07 -0.00 -2.25 116.25 118.64 2jps h VAL 40 Ca 0.13 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2jps h VAL 40 Cb 0.06 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 2jps h VAL 40 CO -0.02 0.25 0.52 0.78 0.02 0.00 0.00 177.57 179.11 2jps h ASN 41 N 1.02 0.73 0.00 0.57 2.35 -0.71 -3.45 115.58 116.09 2jps h ASN 41 Ca 0.26 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2jps h ASN 41 Cb 0.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2jps h ASN 41 CO -0.04 0.46 0.00 0.61 -1.65 0.00 0.00 177.43 176.81 2jps n GLY 42 N -1.43 -0.48 0.00 2.83 0.00 -0.86 -5.06 105.19 100.19 2jps n GLY 42 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.14 0.68 3.17 -0.02 0.00 -1.14 -4.97 105.19 101.77 2jps n GLY 43 Ca 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.88 3.33 0.38 2.61 -4.23 -1.26 -4.98 115.64 110.61 2jps s THR 44 Ca 0.00 -1.64 0.16 0.00 -1.18 0.00 0.00 61.69 59.03 2jps s THR 44 Cb 0.00 -3.08 0.37 0.00 1.34 0.00 0.00 72.50 71.13 2jps s THR 44 CO 0.00 -0.40 1.78 0.58 -0.54 0.00 0.00 174.62 176.04 2jps h VAL 45 N 6.35 0.57 0.22 2.29 2.07 -1.96 0.93 116.25 126.72 2jps h VAL 45 Ca -0.18 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2jps h VAL 45 Cb 1.06 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2jps h VAL 45 CO 0.63 0.08 -0.11 -0.33 0.02 0.00 0.00 177.57 177.87 2jps h GLU 46 N 0.46 -0.29 -0.22 1.57 5.08 -1.98 0.81 114.58 120.02 2jps h GLU 46 Ca 0.58 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.84 2jps h GLU 46 Cb 1.36 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2jps h GLU 46 CO -0.31 -0.00 -0.40 1.03 -1.00 0.00 0.00 179.01 178.32 2jps h SER 47 N -0.58 0.53 0.08 1.42 0.87 -1.71 0.59 113.55 114.76 2jps h SER 47 Ca -0.03 -0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 60.12 2jps h SER 47 Cb 0.42 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2jps h SER 47 CO 0.05 0.88 -0.62 0.58 -0.53 0.00 0.00 176.83 177.19 2jps h VAL 48 N 0.42 1.33 0.03 2.23 2.07 0.94 -0.93 116.25 122.34 2jps h VAL 48 Ca 0.04 -1.91 -0.25 0.00 0.82 0.00 0.00 66.70 65.40 2jps h VAL 48 Cb 0.89 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2jps h VAL 48 CO 0.08 0.59 -1.05 0.58 0.02 0.00 0.00 177.57 177.79 2jps h VAL 49 N 0.39 1.36 -0.26 2.57 2.07 0.77 -2.15 116.25 121.00 2jps h VAL 49 Ca -0.01 -2.46 -0.11 0.00 0.82 0.00 0.00 66.70 64.94 2jps h VAL 49 Cb 1.18 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 2jps h VAL 49 CO 0.11 0.74 -0.29 -0.78 0.02 0.00 0.00 177.57 177.37 2jps h ASP 50 N 0.26 0.53 -0.11 0.57 1.82 -0.85 0.18 116.42 118.82 2jps h ASP 50 Ca -0.11 -0.20 -0.18 0.00 -0.39 0.00 0.00 57.03 56.15 2jps h ASP 50 Cb 1.70 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 41.57 2jps h ASP 50 CO 0.19 0.80 -0.63 -0.33 -1.61 0.00 0.00 179.24 177.66 2jps h GLU 51 N 0.45 0.62 -0.14 0.28 5.08 -1.18 -1.64 114.58 118.05 2jps h GLU 51 Ca 0.06 -0.52 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 2jps h GLU 51 Cb 0.74 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2jps h GLU 51 CO 0.06 1.14 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.65 2jps h LEU 52 N 0.26 0.39 -0.38 1.33 3.38 -1.30 -2.87 115.31 116.12 2jps h LEU 52 Ca -0.05 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 2jps h LEU 52 Cb 1.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jps h LEU 52 CO 0.13 0.82 -0.43 0.00 0.09 0.00 0.00 178.44 179.05 2jps h ALA 53 N 1.19 0.56 -0.41 1.53 0.00 -0.64 0.93 119.26 122.42 2jps h ALA 53 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2jps h ALA 53 Cb 0.97 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2jps h ALA 53 CO 0.08 0.68 0.22 1.03 0.00 0.00 0.00 179.25 181.26 2jps h SER 54 N 0.74 0.49 0.09 0.00 0.87 -1.20 -2.17 113.55 112.37 2jps h SER 54 Ca 0.05 -0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.22 2jps h SER 54 Cb 1.02 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 2jps h SER 54 CO 0.10 0.40 -1.99 -0.11 -0.53 0.00 0.00 176.83 174.70 2jps n LEU 55 N -4.43 2.56 -3.92 2.23 7.94 -1.09 -4.57 117.00 115.73 2jps n LEU 55 Ca 0.03 0.19 -0.36 0.00 -1.11 0.00 0.00 56.01 54.76 2jps n LEU 55 Cb 0.10 -1.06 -0.05 0.00 0.53 0.00 0.00 43.42 42.94 2jps n LEU 55 CO 0.36 0.78 0.48 0.49 -1.11 0.00 0.00 177.39 178.39 2jps n PHE 56 N -3.61 3.64 -1.15 1.96 3.72 0.32 -4.86 117.46 117.49 2jps n PHE 56 Ca -0.35 -3.77 -0.16 0.00 -0.05 0.00 0.00 57.45 53.12 2jps n PHE 56 Cb 0.98 -1.03 0.24 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.71 4.28 -0.07 4.37 2.03 -0.82 -4.39 116.55 123.65 2jps n ASP 57 Ca 0.25 -3.43 -0.14 0.00 0.52 0.00 0.00 54.79 51.99 2jps n ASP 57 Cb 0.37 -0.80 -0.14 0.00 -0.72 0.00 0.00 41.12 39.83 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 -0.68 1.10 -4.92 1.67 3.41 -1.26 -4.95 113.62 107.98 2jps n SER 58 Ca 0.51 0.09 -0.26 0.00 -0.26 0.00 0.00 58.87 58.95 2jps n SER 58 Cb 1.55 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 65.54 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 -2.53 5.10 0.30 -3.33 0.11 -1.26 -5.03 120.40 113.75 2jps s VAL 59 Ca -0.18 -0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 2jps s VAL 59 Cb 0.07 -3.78 -0.13 0.00 -1.53 0.00 0.00 36.38 31.01 2jps s VAL 59 CO 0.76 -0.37 1.14 -1.20 -3.33 0.00 0.00 175.10 172.10 2jps n SER 60 N -1.18 1.91 -0.21 3.54 7.64 -1.26 -4.84 113.62 119.21 2jps n SER 60 Ca -0.04 1.18 0.18 0.00 1.01 0.00 0.00 58.87 61.21 2jps n SER 60 Cb 0.55 -1.36 0.52 0.00 -1.01 0.00 0.00 64.21 62.91 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 2.44 0.38 -0.90 1.43 -0.00 -1.96 -0.68 114.38 115.09 2jps h ARG 61 Ca -0.42 -0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.10 2jps h ARG 61 Cb 1.32 -0.08 -0.06 0.00 0.00 0.00 0.00 29.97 31.14 2jps h ARG 61 CO 0.63 0.25 0.58 -0.44 0.00 0.00 0.00 179.97 180.99 2jps h ASP 62 N 0.39 0.90 -0.59 7.04 5.19 -1.99 -0.33 116.42 127.03 2jps h ASP 62 Ca 0.44 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.79 2jps h ASP 62 Cb 1.10 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2jps h ASP 62 CO -0.15 0.57 0.13 0.74 -3.12 0.00 0.00 179.24 177.42 2jps h THR 63 N 1.02 1.25 -0.27 0.35 2.02 -1.46 -0.84 112.91 114.98 2jps h THR 63 Ca 0.39 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2jps h THR 63 Cb 0.21 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jps h THR 63 CO -0.15 0.34 -0.02 -0.07 0.37 0.00 0.00 175.52 175.99 2jps h LEU 64 N 0.86 0.49 -1.33 2.58 4.07 -1.34 -2.81 115.31 117.82 2jps h LEU 64 Ca 0.18 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.84 2jps h LEU 64 Cb 0.36 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 2jps h LEU 64 CO 0.00 0.70 0.47 0.00 -1.08 0.00 0.00 178.44 178.54 2jps h ALA 65 N 0.80 1.56 -0.94 1.53 0.00 -0.92 -1.98 119.26 119.32 2jps h ALA 65 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jps h ALA 65 Cb 0.47 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2jps h ALA 65 CO 0.02 0.38 0.62 -0.91 0.00 0.00 0.00 179.25 179.36 2jps h ASN 66 N 0.89 1.07 -0.21 0.00 4.21 -0.90 0.87 115.58 121.52 2jps h ASN 66 Ca 0.28 -0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.60 2jps h ASN 66 Cb 0.01 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 36.94 2jps h ASN 66 CO -0.07 0.77 -0.47 0.58 -1.29 0.00 0.00 177.43 176.94 2jps h VAL 67 N 1.26 1.29 -0.23 2.81 2.07 -1.24 -2.66 116.25 119.54 2jps h VAL 67 Ca 0.35 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 2jps h VAL 67 Cb -0.12 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2jps h VAL 67 CO -0.08 0.54 -0.27 0.58 0.02 0.00 0.00 177.57 178.36 2jps h VAL 68 N 0.61 1.27 -0.40 2.57 2.07 -0.90 -2.79 116.25 118.68 2jps h VAL 68 Ca 0.03 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 2jps h VAL 68 Cb 1.04 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2jps h VAL 68 CO 0.10 0.40 0.07 1.56 0.02 0.00 0.00 177.57 179.73 2jps h GLN 69 N 0.40 0.67 0.00 1.57 4.20 -0.67 -1.98 115.11 119.28 2jps h GLN 69 Ca 0.06 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 2jps h GLN 69 Cb 0.68 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2jps h GLN 69 CO 0.05 0.71 -0.22 0.00 -0.67 0.00 0.00 178.83 178.69 2jps h THR 70 N 0.52 1.14 -0.06 -0.54 1.03 -1.36 -2.25 112.91 111.40 2jps h THR 70 Ca 0.12 -0.78 -0.19 0.00 -0.01 0.00 0.00 66.41 65.56 2jps h THR 70 Cb 0.36 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 68.85 2jps h THR 70 CO 0.01 0.22 -0.76 0.00 -0.01 0.00 0.00 175.52 174.98 2jps h ALA 71 N 1.78 0.57 -0.35 0.00 0.00 -1.21 -2.35 119.26 117.70 2jps h ALA 71 Ca -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2jps h ALA 71 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jps h ALA 71 CO 0.03 0.78 0.08 0.74 0.00 0.00 0.00 179.25 180.88 2jps h PHE 72 N 0.25 0.58 -0.85 0.00 -1.00 -0.81 -2.43 116.94 112.69 2jps h PHE 72 Ca -0.04 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 2jps h PHE 72 Cb 1.34 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.70 2jps h PHE 72 CO 0.04 0.59 0.43 0.74 -1.61 0.00 0.00 178.31 178.51 2jps h PHE 73 N 0.40 1.19 -0.77 -0.55 0.04 -1.42 -2.10 116.94 113.74 2jps h PHE 73 Ca 0.11 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.90 2jps h PHE 73 Cb 0.31 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 38.03 2jps h PHE 73 CO 0.02 0.85 0.50 0.00 -0.60 0.00 0.00 178.31 179.08 2jps h ALA 74 N 1.23 1.69 -1.00 2.45 0.00 -1.10 -1.38 119.26 121.15 2jps h ALA 74 Ca 0.29 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2jps h ALA 74 Cb 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 2jps h ALA 74 CO -0.04 0.18 0.63 -0.07 0.00 0.00 0.00 179.25 179.96 2jps h LEU 75 N 0.79 0.96 -0.31 0.00 -0.00 -0.90 0.73 115.31 116.57 2jps h LEU 75 Ca 0.34 0.04 -0.14 0.00 -0.00 0.00 0.00 57.88 58.11 2jps h LEU 75 Cb 0.29 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2jps h LEU 75 CO -0.12 0.54 -0.36 -0.08 -0.00 0.00 0.00 178.44 178.43 2jps h GLU 76 N 1.05 0.79 -0.49 1.13 4.81 -1.29 -1.36 114.58 119.20 2jps h GLU 76 Ca 0.48 -0.43 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2jps h GLU 76 Cb 0.39 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jps h GLU 76 CO -0.24 1.06 -0.21 0.00 -0.73 0.00 0.00 179.01 178.90 2jps h ALA 77 N 0.71 0.70 -0.73 2.92 0.00 -0.89 -2.94 119.26 119.03 2jps h ALA 77 Ca 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2jps h ALA 77 Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 77 CO 0.09 0.68 0.20 -0.07 0.00 0.00 0.00 179.25 180.14 2jps h LEU 78 N 0.87 1.09 -1.78 0.00 -0.00 0.48 0.13 115.31 116.09 2jps h LEU 78 Ca 0.11 -0.22 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2jps h LEU 78 Cb 0.79 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2jps h LEU 78 CO 0.07 1.02 0.22 1.56 -0.00 0.00 0.00 178.44 181.31 2jps h GLN 79 N 1.09 0.27 0.12 1.13 4.20 -1.08 -2.95 115.11 117.90 2jps h GLN 79 Ca 0.23 -0.02 -0.37 0.00 0.06 0.00 0.00 58.65 58.56 2jps h GLN 79 Cb 0.35 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2jps h GLN 79 CO -0.00 0.18 -2.02 1.04 -0.67 0.00 0.00 178.83 177.36 2jps n GLN 80 N -4.49 0.76 0.00 1.46 1.13 -0.94 -5.04 117.38 110.26 2jps n GLN 80 Ca 0.03 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2jps n GLN 80 Cb 0.19 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.83 2jps n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jps n GLY 81 N 2.00 0.67 3.85 1.08 0.00 0.40 -5.13 105.19 108.06 2jps n GLY 81 Ca -0.32 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 2jps n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jps s GLU 82 N 0.00 2.23 -0.10 1.61 0.41 -1.07 -4.98 118.70 116.80 2jps s GLU 82 Ca 0.00 -2.27 0.01 0.00 -0.41 0.00 0.00 54.97 52.30 2jps s GLU 82 Cb 0.00 -1.78 -0.02 0.00 -1.78 0.00 0.00 34.13 30.55 2jps s GLU 82 CO 0.00 -0.54 -0.14 -1.12 -0.49 0.00 0.00 175.26 172.97 2jps s SER 83 N -4.10 3.96 -0.16 -0.19 0.01 -1.26 -4.95 113.70 107.02 2jps s SER 83 Ca 0.16 -0.30 0.12 0.00 1.31 0.00 0.00 55.95 57.24 2jps s SER 83 Cb -0.01 -1.37 -0.23 0.00 0.21 0.00 0.00 66.02 64.61 2jps s SER 83 CO 0.10 0.22 0.22 0.00 0.41 0.00 0.00 173.24 174.19 2jps n ALA 84 N 3.17 1.44 -0.27 1.44 0.00 -1.26 -4.32 120.51 120.71 2jps n ALA 84 Ca -0.18 -1.08 0.12 0.00 0.00 0.00 0.00 53.44 52.30 2jps n ALA 84 Cb 0.53 -0.40 0.38 0.00 0.00 0.00 0.00 19.45 19.96 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 0.66 -0.83 0.00 4.22 -1.95 -0.31 114.58 116.38 2jps h GLU 85 Ca -0.47 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 58.99 2jps h GLU 85 Cb 2.12 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.17 2jps h GLU 85 CO 0.03 0.44 0.54 -0.91 -2.18 0.00 0.00 179.01 176.93 2jps h ASN 86 N 0.68 0.83 -0.55 1.04 2.35 -2.02 -1.49 115.58 116.42 2jps h ASN 86 Ca 0.46 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.15 2jps h ASN 86 Cb 0.76 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2jps h ASN 86 CO -0.22 0.54 0.14 0.40 -1.65 0.00 0.00 177.43 176.65 2jps h ILE 87 N 0.95 1.24 -0.74 2.81 2.04 -1.28 -2.60 117.51 119.93 2jps h ILE 87 Ca 0.35 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.34 2jps h ILE 87 Cb 0.17 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2jps h ILE 87 CO -0.12 0.33 0.49 0.58 0.00 0.00 0.00 178.15 179.43 2jps h VAL 88 N 0.89 1.18 -0.90 1.67 2.07 -1.20 -2.00 116.25 117.96 2jps h VAL 88 Ca 0.19 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2jps h VAL 88 Cb 0.33 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 2jps h VAL 88 CO 0.00 0.18 0.55 0.28 0.02 0.00 0.00 177.57 178.60 2jps h SER 89 N 0.99 0.82 0.04 0.57 0.02 -1.31 0.28 113.55 114.96 2jps h SER 89 Ca 0.27 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2jps h SER 89 Cb -0.10 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jps h SER 89 CO -0.06 0.48 -0.36 0.50 -1.14 0.00 0.00 176.83 176.25 2jps h LYS 90 N 0.93 0.44 -0.20 3.45 3.64 -1.41 -1.24 116.57 122.18 2jps h LYS 90 Ca 0.42 -0.20 -0.21 0.00 -1.27 0.00 0.00 60.65 59.40 2jps h LYS 90 Cb 0.33 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jps h LYS 90 CO -0.23 0.74 -0.71 0.82 -2.27 0.00 0.00 179.45 177.80 2jps h ILE 91 N 0.37 1.28 -0.35 2.00 1.08 -0.73 -0.39 117.51 120.77 2jps h ILE 91 Ca 0.04 -1.90 -0.12 0.00 -0.39 0.00 0.00 64.86 62.49 2jps h ILE 91 Cb 0.80 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 2jps h ILE 91 CO 0.06 0.61 -0.28 -0.09 -0.69 0.00 0.00 178.15 177.76 2jps h ARG 92 N 0.58 0.73 -0.11 2.37 9.65 -0.41 0.69 114.38 127.88 2jps h ARG 92 Ca -0.03 -0.32 -0.23 0.00 -1.10 0.00 0.00 59.98 58.30 2jps h ARG 92 Cb 1.33 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.90 2jps h ARG 92 CO 0.15 0.92 -0.85 0.52 2.80 0.00 0.00 179.97 183.51 2jps h MET 93 N 0.62 0.76 -0.05 0.20 2.86 -1.21 0.12 114.93 118.24 2jps h MET 93 Ca 0.08 -0.67 -0.22 0.00 -2.06 0.00 0.00 59.70 56.83 2jps h MET 93 Cb 0.79 0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.61 2jps h MET 93 CO 0.07 1.26 -0.88 1.98 1.06 0.00 0.00 176.91 180.40 2jps h MET 94 N 0.49 0.54 -0.07 1.72 1.85 -0.97 -2.14 114.93 116.35 2jps h MET 94 Ca -0.07 -0.51 -0.18 0.00 -0.61 0.00 0.00 59.70 58.32 2jps h MET 94 Cb 1.48 0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.64 2jps h MET 94 CO 0.17 1.14 -0.73 -0.91 -0.40 0.00 0.00 176.91 176.18 2jps h ASN 95 N 0.33 0.45 -0.27 1.39 4.21 0.38 -3.00 115.58 119.07 2jps h ASN 95 Ca -0.07 -0.30 -0.14 0.00 1.21 0.00 0.00 56.30 57.01 2jps h ASN 95 Cb 1.50 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.56 2jps h ASN 95 CO 0.16 1.03 -0.33 0.00 -1.29 0.00 0.00 177.43 177.01 2jps h ALA 96 N 0.96 0.76 -0.81 -0.83 0.00 -0.75 -2.98 119.26 115.61 2jps h ALA 96 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2jps h ALA 96 Cb 1.30 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2jps h ALA 96 CO 0.12 0.66 0.45 0.37 0.00 0.00 0.00 179.25 180.85 2jps h GLN 97 N 0.66 1.11 -0.74 0.00 5.75 -1.34 0.85 115.11 121.40 2jps h GLN 97 Ca 0.07 -0.12 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 2jps h GLN 97 Cb 0.87 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 29.15 2jps h GLN 97 CO 0.08 0.81 0.49 1.03 -2.65 0.00 0.00 178.83 178.58 2jps h SER 98 N 1.12 0.66 0.03 -0.69 0.87 -1.38 -3.16 113.55 111.01 2jps h SER 98 Ca 0.29 0.01 -0.39 0.00 -1.23 0.00 0.00 61.79 60.47 2jps h SER 98 Cb 0.01 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 2jps h SER 98 CO -0.05 0.42 -2.31 -0.11 -0.53 0.00 0.00 176.83 174.25 2jps n LEU 99 N -4.48 2.74 -2.11 2.23 7.94 -0.87 -5.09 117.00 117.36 2jps n LEU 99 Ca 0.11 0.02 -0.03 0.00 -1.11 0.00 0.00 56.01 55.01 2jps n LEU 99 Cb 0.25 -0.96 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 2jps n LEU 99 CO 0.33 0.86 -0.35 0.61 -1.11 0.00 0.00 177.39 177.72 2jps n GLY 100 N 2.06 -4.13 3.10 -3.96 0.00 0.29 -5.02 105.19 97.53 2jps n GLY 100 Ca -0.43 0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.84 2.40 -1.14 1.61 0.74 -1.26 -4.79 119.66 116.37 2jps s GLN 101 Ca -0.13 -1.25 -0.15 0.00 0.05 0.00 0.00 55.36 53.88 2jps s GLN 101 Cb 0.01 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.20 2jps s GLN 101 CO 0.44 -0.52 0.80 0.43 -0.55 0.00 0.00 175.29 175.89 2jps n SER 102 N 4.49 -5.08 -3.47 6.67 7.64 -1.26 -4.94 113.62 117.68 2jps n SER 102 Ca -0.15 -0.93 -0.29 0.00 1.01 0.00 0.00 58.87 58.51 2jps n SER 102 Cb 0.43 -3.85 -0.07 0.00 -1.01 0.00 0.00 64.21 59.72 2jps n SER 102 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jps n ASP 103 N -2.84 4.17 -3.08 6.43 8.00 -1.26 -4.93 116.55 123.04 2jps n ASP 103 Ca -0.11 -3.46 -0.18 0.00 0.71 0.00 0.00 54.79 51.74 2jps n ASP 103 Cb 0.61 -0.74 0.02 0.00 -0.02 0.00 0.00 41.12 40.99 2jps n ASP 103 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jps n ILE 104 N 0.83 -8.68 -1.07 0.53 5.41 -1.26 -5.18 119.36 109.94 2jps n ILE 104 Ca 0.30 0.61 0.00 0.00 1.00 0.00 0.00 62.75 64.65 2jps n ILE 104 Cb 0.40 -6.03 0.00 0.00 -0.71 0.00 0.00 39.64 33.29 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55