#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 0.94 -3.47 7.83 7.64 -1.26 -4.96 113.62 120.35 2jps n SER 2 Ca 0.00 0.13 -0.27 0.00 1.01 0.00 0.00 58.87 59.74 2jps n SER 2 Cb 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.48 0.85 -0.07 1.43 1.13 -1.26 -4.93 117.38 111.05 2jps n GLN 3 Ca -0.03 -3.60 -0.20 0.00 -1.94 0.00 0.00 57.00 51.24 2jps n GLN 3 Cb 0.18 -1.77 -0.13 0.00 0.11 0.00 0.00 30.24 28.64 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 2.20 0.70 -0.27 -1.09 2.13 -1.26 -3.48 120.64 119.56 2jps n GLU 4 Ca 0.26 0.20 0.11 0.00 0.66 0.00 0.00 57.16 58.39 2jps n GLU 4 Cb 0.46 -1.60 0.36 0.00 0.27 0.00 0.00 31.44 30.92 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 0.00 0.72 -0.05 5.31 3.07 -1.99 0.47 115.11 122.64 2jps h GLN 5 Ca -0.51 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 57.98 2jps h GLN 5 Cb 1.95 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 29.34 2jps h GLN 5 CO -0.02 0.48 -0.82 1.88 0.09 0.00 0.00 178.83 180.43 2jps h TYR 6 N 0.74 0.60 -0.46 0.06 -1.99 -1.98 -2.37 116.97 111.58 2jps h TYR 6 Ca 0.43 -0.29 -0.11 0.00 2.00 0.00 0.00 58.73 60.76 2jps h TYR 6 Cb 0.62 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 2jps h TYR 6 CO -0.00 1.08 -0.16 1.15 -0.00 0.00 0.00 178.16 180.23 2jps h THR 7 N 0.27 1.27 -0.54 -2.88 2.02 -0.91 0.89 112.91 113.03 2jps h THR 7 Ca -0.05 -1.30 -0.12 0.00 0.77 0.00 0.00 66.41 65.71 2jps h THR 7 Cb 1.43 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 2jps h THR 7 CO 0.14 0.45 -0.13 -0.33 0.37 0.00 0.00 175.52 176.02 2jps h GLU 8 N 0.76 1.03 0.09 6.66 5.08 -0.19 0.66 114.58 128.67 2jps h GLU 8 Ca 0.11 -0.39 -0.29 0.00 -1.00 0.00 0.00 59.36 57.79 2jps h GLU 8 Cb 0.72 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.94 2jps h GLU 8 CO 0.05 1.08 -1.18 -0.91 -1.00 0.00 0.00 179.01 177.06 2jps h ASN 9 N 0.91 0.88 -0.15 1.42 4.21 -1.32 -3.16 115.58 118.37 2jps h ASN 9 Ca 0.14 -0.80 -0.10 0.00 1.21 0.00 0.00 56.30 56.74 2jps h ASN 9 Cb 0.70 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2jps h ASN 9 CO 0.05 1.59 -0.24 0.25 -1.29 0.00 0.00 177.43 177.78 2jps h LEU 10 N 0.29 0.61 -1.54 1.61 5.85 0.89 -2.69 115.31 120.32 2jps h LEU 10 Ca -0.17 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jps h LEU 10 Cb 1.85 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 2jps h LEU 10 CO 0.23 0.84 0.35 0.50 -0.34 0.00 0.00 178.44 180.02 2jps h LYS 11 N 0.53 0.59 -0.07 1.25 3.64 0.33 0.23 116.57 123.06 2jps h LYS 11 Ca 0.07 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2jps h LYS 11 Cb 0.70 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2jps h LYS 11 CO 0.05 0.39 -0.07 0.28 -2.27 0.00 0.00 179.45 177.83 2jps h VAL 12 N 0.60 1.37 -0.55 2.00 2.07 -1.45 -1.54 116.25 118.75 2jps h VAL 12 Ca 0.21 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 2jps h VAL 12 Cb 0.10 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2jps h VAL 12 CO -0.06 0.34 0.11 0.40 0.02 0.00 0.00 177.57 178.38 2jps h ILE 13 N -0.27 1.24 -0.66 4.57 2.04 -1.28 -1.99 117.51 121.16 2jps h ILE 13 Ca 0.01 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2jps h ILE 13 Cb 0.58 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2jps h ILE 13 CO 0.02 0.33 0.18 0.58 0.00 0.00 0.00 178.15 179.26 2jps h VAL 14 N 0.83 1.25 -0.18 1.67 2.07 -0.52 -2.50 116.25 118.88 2jps h VAL 14 Ca 0.18 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2jps h VAL 14 Cb 0.35 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2jps h VAL 14 CO 0.00 0.35 -0.16 0.00 0.02 0.00 0.00 177.57 177.78 2jps h ALA 15 N 1.07 1.39 -0.87 1.67 0.00 -0.88 -2.59 119.26 119.06 2jps h ALA 15 Ca 0.21 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.04 2jps h ALA 15 Cb 0.33 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2jps h ALA 15 CO -0.00 0.42 0.57 1.49 0.00 0.00 0.00 179.25 181.73 2jps h GLU 16 N 0.28 0.53 0.13 0.00 4.81 -0.89 0.61 114.58 120.06 2jps h GLU 16 Ca 0.05 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.95 2jps h GLU 16 Cb 0.46 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2jps h GLU 16 CO 0.03 0.35 -1.53 0.87 -0.73 0.00 0.00 179.01 178.00 2jps h LYS 17 N 0.55 0.28 -0.16 1.92 1.79 -1.54 -2.84 116.57 116.56 2jps h LYS 17 Ca 0.44 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2jps h LYS 17 Cb 0.90 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 2jps h LYS 17 CO -0.19 1.23 0.06 -0.07 -1.08 0.00 0.00 179.45 179.40 2jps h LEU 18 N -0.20 0.23 -1.52 2.94 3.38 -1.06 -0.57 115.31 118.52 2jps h LEU 18 Ca -0.32 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2jps h LEU 18 Cb 1.85 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2jps h LEU 18 CO 0.08 0.34 -0.25 0.00 0.09 0.00 0.00 178.44 178.70 2jps h ALA 19 N 0.90 1.55 -0.01 1.53 0.00 0.06 -2.83 119.26 120.46 2jps h ALA 19 Ca 0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2jps h ALA 19 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jps h ALA 19 CO -0.00 0.31 -0.89 0.78 0.00 0.00 0.00 179.25 179.44 2jps h GLY 20 N 0.78 0.42 -5.01 0.00 0.00 -1.19 -3.45 103.07 94.62 2jps h GLY 20 Ca -0.00 -0.71 -0.61 0.00 0.00 0.00 0.00 47.33 46.00 2jps h GLY 20 CO 0.03 0.63 0.60 1.39 0.00 0.00 0.00 176.54 179.19 2jps n ILE 21 N -3.75 0.35 0.26 2.60 5.41 -0.26 -4.86 119.36 119.11 2jps n ILE 21 Ca -0.06 -0.09 0.14 0.00 1.00 0.00 0.00 62.75 63.74 2jps n ILE 21 Cb 0.81 -1.26 0.63 0.00 -0.71 0.00 0.00 39.64 39.11 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 4.84 0.00 -0.86 0.38 0.13 -1.88 -3.00 132.00 131.61 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 1.29 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 2jps h PRO 22 CO 0.80 0.11 0.49 0.09 -0.23 0.00 0.00 178.00 179.27 2jps n ASN 23 N -3.32 4.34 -3.62 1.44 3.02 -1.26 -4.75 115.26 111.11 2jps n ASN 23 Ca -0.00 -3.69 -0.28 0.00 -0.03 0.00 0.00 54.58 50.58 2jps n ASN 23 Cb 0.33 -0.81 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 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 -3.41 2.17 -0.26 3.10 2.19 -1.13 -4.93 117.98 115.70 2jps s PHE 24 Ca 0.56 -2.75 -0.00 0.00 0.33 0.00 0.00 56.93 55.07 2jps s PHE 24 Cb 0.47 -1.72 -0.16 0.00 -1.31 0.00 0.00 43.02 40.30 2jps s PHE 24 CO 0.06 -0.71 -0.25 0.09 1.83 0.00 0.00 175.22 176.25 2jps n ASN 25 N 2.53 1.98 -4.84 6.13 3.02 -1.26 -4.75 115.26 118.07 2jps n ASN 25 Ca 0.24 -0.07 -0.22 0.00 -0.03 0.00 0.00 54.58 54.50 2jps n ASN 25 Cb 0.42 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2jps s GLU 26 N -2.52 2.92 -1.44 3.52 2.12 -1.26 -4.58 118.70 117.46 2jps s GLU 26 Ca -0.35 -1.08 -0.08 0.00 0.36 0.00 0.00 54.97 53.81 2jps s GLU 26 Cb 0.10 -2.57 0.05 0.00 0.26 0.00 0.00 34.13 31.97 2jps s GLU 26 CO 0.58 0.34 0.85 -0.25 -0.54 0.00 0.00 175.26 176.24 2jps n ASP 27 N -1.23 -3.20 -0.12 -1.70 9.92 -1.26 -4.90 116.55 114.06 2jps n ASP 27 Ca -0.07 -0.80 -0.18 0.00 -0.53 0.00 0.00 54.79 53.21 2jps n ASP 27 Cb 0.58 -3.93 -0.12 0.00 -0.64 0.00 0.00 41.12 37.01 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 -4.52 1.51 0.08 0.53 0.00 -1.26 -3.52 119.36 112.18 2jps n ILE 28 Ca -0.11 -0.59 -0.18 0.00 0.00 0.00 0.00 62.75 61.87 2jps n ILE 28 Cb 0.59 -1.40 -0.10 0.00 0.00 0.00 0.00 39.64 38.73 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 0.51 0.00 9.51 1.57 -1.94 -3.12 116.57 123.10 2jps h LYS 29 Ca -0.57 -0.64 -0.12 0.00 -1.87 0.00 0.00 60.65 57.46 2jps h LYS 29 Cb 1.93 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 34.42 2jps h LYS 29 CO -0.07 1.26 -0.55 1.88 -0.57 0.00 0.00 179.45 181.40 2jps h TYR 30 N 0.25 0.00 0.00 -1.35 0.05 -1.98 -3.02 116.97 110.93 2jps h TYR 30 Ca -0.14 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 2jps h TYR 30 Cb 1.78 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.51 2jps h TYR 30 CO 0.09 0.55 -0.42 -0.24 -1.05 0.00 0.00 178.16 177.08 2jps h VAL 31 N 0.00 1.02 -0.21 -2.88 3.04 -1.60 -3.05 116.25 112.58 2jps h VAL 31 Ca -0.01 -1.62 -0.15 0.00 -1.01 0.00 0.00 66.70 63.92 2jps h VAL 31 Cb 1.00 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 2jps h VAL 31 CO 0.07 0.42 -0.48 0.00 -1.01 0.00 0.00 177.57 176.57 2jps h ALA 32 N 1.58 0.78 -0.40 3.17 0.00 -1.46 -2.48 119.26 120.44 2jps h ALA 32 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2jps h ALA 32 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jps h ALA 32 CO 0.06 0.67 0.25 0.93 0.00 0.00 0.00 179.25 181.15 2jps h GLU 33 N 0.43 0.49 -0.72 0.00 5.08 -1.55 0.65 114.58 118.94 2jps h GLU 33 Ca 0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jps h GLU 33 Cb 1.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2jps h GLU 33 CO 0.09 0.32 0.23 -0.92 -1.00 0.00 0.00 179.01 177.73 2jps h TYR 34 N 0.50 1.16 -0.24 4.33 3.20 -1.57 0.52 116.97 124.87 2jps h TYR 34 Ca 0.16 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jps h TYR 34 Cb -0.02 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 2jps h TYR 34 CO -0.06 0.92 0.15 0.82 -1.64 0.00 0.00 178.16 178.35 2jps h ILE 35 N 1.08 1.07 -0.78 1.81 2.04 -0.89 -0.62 117.51 121.22 2jps h ILE 35 Ca 0.23 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 2jps h ILE 35 Cb 0.30 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2jps h ILE 35 CO -0.01 0.07 0.32 0.58 0.00 0.00 0.00 178.15 179.12 2jps h VAL 36 N 0.31 1.26 -0.75 1.67 2.07 -0.58 -0.59 116.25 119.65 2jps h VAL 36 Ca 0.09 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.88 2jps h VAL 36 Cb -0.02 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 2jps h VAL 36 CO -0.02 0.33 0.43 0.25 0.02 0.00 0.00 177.57 178.58 2jps h LEU 37 N 1.13 0.63 -0.54 2.57 5.85 -0.25 0.71 115.31 125.41 2jps h LEU 37 Ca 0.26 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 2jps h LEU 37 Cb 0.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2jps h LEU 37 CO -0.02 0.39 0.01 -0.07 -0.34 0.00 0.00 178.44 178.41 2jps h LEU 38 N 0.77 0.93 -0.36 2.25 3.38 -0.57 -1.21 115.31 120.50 2jps h LEU 38 Ca 0.34 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jps h LEU 38 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jps h LEU 38 CO -0.20 1.00 0.15 0.40 0.09 0.00 0.00 178.44 179.88 2jps h ILE 39 N 0.83 1.18 -0.71 1.22 1.08 0.45 -2.54 117.51 119.02 2jps h ILE 39 Ca 0.16 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 2jps h ILE 39 Cb 0.52 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2jps h ILE 39 CO 0.03 0.20 0.38 0.58 -0.69 0.00 0.00 178.15 178.64 2jps h VAL 40 N 0.44 1.22 -0.83 1.67 2.07 0.54 -2.28 116.25 119.07 2jps h VAL 40 Ca 0.12 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2jps h VAL 40 Cb 0.17 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2jps h VAL 40 CO -0.01 0.24 0.54 0.78 0.02 0.00 0.00 177.57 179.14 2jps h ASN 41 N 0.99 0.79 0.00 0.57 2.35 -0.80 -3.45 115.58 116.04 2jps h ASN 41 Ca 0.25 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2jps h ASN 41 Cb 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2jps h ASN 41 CO -0.04 0.51 0.00 0.61 -1.65 0.00 0.00 177.43 176.86 2jps n GLY 42 N -1.42 -0.61 0.00 2.83 0.00 -0.87 -5.07 105.19 100.05 2jps n GLY 42 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.18 0.68 3.17 -0.02 0.00 -1.13 -4.97 105.19 101.74 2jps n GLY 43 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.90 3.33 0.39 2.61 -4.23 -1.26 -4.98 115.64 110.60 2jps s THR 44 Ca 0.00 -1.66 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 2jps s THR 44 Cb 0.00 -3.09 0.38 0.00 1.34 0.00 0.00 72.50 71.13 2jps s THR 44 CO 0.00 -0.42 1.79 0.58 -0.54 0.00 0.00 174.62 176.03 2jps h VAL 45 N 6.35 0.58 0.31 2.29 2.07 -1.96 0.93 116.25 126.81 2jps h VAL 45 Ca -0.18 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2jps h VAL 45 Cb 1.06 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jps h VAL 45 CO 0.64 0.08 -0.15 -0.33 0.02 0.00 0.00 177.57 177.83 2jps h GLU 46 N 0.43 -0.40 -0.20 1.57 4.39 -1.98 0.47 114.58 118.86 2jps h GLU 46 Ca 0.56 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.19 2jps h GLU 46 Cb 1.38 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 2jps h GLU 46 CO -0.27 -0.08 -0.33 0.77 -1.16 0.00 0.00 179.01 177.93 2jps h SER 47 N -0.75 0.42 0.08 1.42 0.02 -1.76 -0.56 113.55 112.43 2jps h SER 47 Ca -0.04 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.58 2jps h SER 47 Cb 0.50 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2jps h SER 47 CO 0.07 0.73 -0.59 0.58 -1.14 0.00 0.00 176.83 176.48 2jps h VAL 48 N 0.35 1.33 -0.02 2.27 2.07 0.92 -0.96 116.25 122.21 2jps h VAL 48 Ca 0.04 -1.86 -0.24 0.00 0.82 0.00 0.00 66.70 65.46 2jps h VAL 48 Cb 0.75 1.84 0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2jps h VAL 48 CO 0.06 0.57 -0.95 0.58 0.02 0.00 0.00 177.57 177.85 2jps h VAL 49 N 0.39 1.34 -0.31 2.57 2.07 0.12 -2.12 116.25 120.30 2jps h VAL 49 Ca -0.00 -2.29 -0.12 0.00 0.82 0.00 0.00 66.70 65.11 2jps h VAL 49 Cb 1.13 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 2jps h VAL 49 CO 0.11 0.70 -0.29 0.44 0.02 0.00 0.00 177.57 178.55 2jps h ASP 50 N 0.33 0.65 -0.24 0.57 3.32 -1.07 0.18 116.42 120.16 2jps h ASP 50 Ca -0.09 -0.25 -0.17 0.00 0.02 0.00 0.00 57.03 56.54 2jps h ASP 50 Cb 1.59 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2jps h ASP 50 CO 0.18 0.90 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.76 2jps h GLU 51 N 0.54 0.78 -0.26 3.56 5.08 -1.18 -1.30 114.58 121.80 2jps h GLU 51 Ca 0.07 -0.51 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 2jps h GLU 51 Cb 0.77 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jps h GLU 51 CO 0.06 1.14 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.63 2jps h LEU 52 N 0.52 0.81 -0.78 1.33 3.38 -1.29 -3.04 115.31 116.24 2jps h LEU 52 Ca 0.00 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 2jps h LEU 52 Cb 1.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2jps h LEU 52 CO 0.11 1.17 0.06 0.00 0.09 0.00 0.00 178.44 179.87 2jps h ALA 53 N 0.85 0.99 -0.67 1.53 0.00 -0.61 0.97 119.26 122.32 2jps h ALA 53 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2jps h ALA 53 Cb 1.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2jps h ALA 53 CO 0.11 0.63 0.44 0.66 0.00 0.00 0.00 179.25 181.09 2jps h SER 54 N 0.91 0.63 0.06 0.00 4.64 -1.12 -2.16 113.55 116.51 2jps h SER 54 Ca 0.18 -0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.13 2jps h SER 54 Cb 0.46 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 2jps h SER 54 CO 0.02 0.42 -2.14 0.18 -0.87 0.00 0.00 176.83 174.43 2jps n LEU 55 N -4.47 2.63 -3.94 5.97 4.77 -1.00 -4.60 117.00 116.36 2jps n LEU 55 Ca 0.09 0.12 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 2jps n LEU 55 Cb 0.19 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 2jps n LEU 55 CO 0.34 0.81 0.54 0.49 -1.33 0.00 0.00 177.39 178.24 2jps n PHE 56 N -3.56 3.64 -1.22 -1.77 3.72 0.33 -4.85 117.46 113.76 2jps n PHE 56 Ca -0.39 -3.69 -0.18 0.00 -0.05 0.00 0.00 57.45 53.14 2jps n PHE 56 Cb 0.98 -1.09 0.21 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.72 3.82 -0.09 4.37 2.03 -0.82 -4.38 116.55 123.21 2jps n ASP 57 Ca 0.25 -3.55 -0.18 0.00 0.52 0.00 0.00 54.79 51.83 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 -0.95 1.79 -4.90 1.67 3.41 -1.26 -4.95 113.62 108.43 2jps n SER 58 Ca 0.53 -0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.84 2jps n SER 58 Cb 1.55 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 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 4.94 0.36 -3.33 0.11 -1.26 -5.02 120.40 113.67 2jps s VAL 59 Ca -0.28 0.20 -0.26 0.00 -2.93 0.00 0.00 61.98 58.71 2jps s VAL 59 Cb 0.08 -3.77 -0.12 0.00 -1.53 0.00 0.00 36.38 31.04 2jps s VAL 59 CO 0.67 -0.49 1.03 -1.20 -3.33 0.00 0.00 175.10 171.79 2jps n SER 60 N -1.35 1.41 -0.22 3.54 7.64 -1.26 -4.84 113.62 118.54 2jps n SER 60 Ca -0.00 1.10 0.17 0.00 1.01 0.00 0.00 58.87 61.15 2jps n SER 60 Cb 0.54 -1.34 0.49 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.81 0.43 -0.86 1.43 -0.00 -1.95 -0.53 114.38 114.71 2jps h ARG 61 Ca -0.43 -0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.11 2jps h ARG 61 Cb 1.33 -0.10 -0.06 0.00 0.00 0.00 0.00 29.97 31.15 2jps h ARG 61 CO 0.59 0.29 0.56 -0.44 0.00 0.00 0.00 179.97 180.96 2jps h ASP 62 N 0.44 0.79 -0.48 7.04 3.32 -1.99 -0.01 116.42 125.54 2jps h ASP 62 Ca 0.44 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 2jps h ASP 62 Cb 1.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 2jps h ASP 62 CO -0.16 0.49 0.17 0.74 -1.72 0.00 0.00 179.24 178.75 2jps h THR 63 N 0.89 1.22 -0.24 0.35 2.02 -1.42 0.15 112.91 115.87 2jps h THR 63 Ca 0.39 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 2jps h THR 63 Cb 0.33 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2jps h THR 63 CO -0.15 0.26 -0.02 -0.07 0.37 0.00 0.00 175.52 175.91 2jps h LEU 64 N 0.64 0.44 -1.54 2.58 4.07 -1.34 -2.75 115.31 117.41 2jps h LEU 64 Ca 0.16 -0.33 0.02 0.00 0.08 0.00 0.00 57.88 57.81 2jps h LEU 64 Cb 0.24 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 2jps h LEU 64 CO -0.01 0.66 0.33 0.00 -1.08 0.00 0.00 178.44 178.35 2jps h ALA 65 N 0.79 1.70 -0.67 1.53 0.00 -0.86 -2.05 119.26 119.70 2jps h ALA 65 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jps h ALA 65 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2jps h ALA 65 CO 0.02 0.26 0.42 -0.91 0.00 0.00 0.00 179.25 179.04 2jps h ASN 66 N 0.63 0.79 -0.20 0.00 -0.26 -0.67 0.21 115.58 116.08 2jps h ASN 66 Ca 0.19 -0.05 -0.16 0.00 -0.56 0.00 0.00 56.30 55.73 2jps h ASN 66 Cb 0.01 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 2jps h ASN 66 CO -0.05 0.61 -0.45 0.58 -1.06 0.00 0.00 177.43 177.05 2jps h VAL 67 N 0.91 1.29 -0.31 2.81 2.07 -1.27 -2.73 116.25 119.03 2jps h VAL 67 Ca 0.24 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 2jps h VAL 67 Cb -0.06 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2jps h VAL 67 CO -0.05 0.53 -0.19 0.58 0.02 0.00 0.00 177.57 178.46 2jps h VAL 68 N 0.61 1.26 -0.44 2.57 2.07 -0.97 -2.53 116.25 118.81 2jps h VAL 68 Ca 0.04 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2jps h VAL 68 Cb 1.02 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2jps h VAL 68 CO 0.10 0.39 0.20 -0.61 0.02 0.00 0.00 177.57 177.67 2jps h GLN 69 N 0.50 0.64 -0.00 1.57 5.75 -0.41 -1.84 115.11 121.33 2jps h GLN 69 Ca 0.08 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 2jps h GLN 69 Cb 0.62 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 2jps h GLN 69 CO 0.04 0.56 -0.32 0.00 -2.65 0.00 0.00 178.83 176.46 2jps h THR 70 N 0.57 1.23 -0.19 2.39 1.03 -1.33 -2.45 112.91 114.17 2jps h THR 70 Ca 0.15 -1.12 -0.15 0.00 -0.01 0.00 0.00 66.41 65.28 2jps h THR 70 Cb 0.14 1.60 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 2jps h THR 70 CO -0.02 0.32 -0.51 0.00 -0.01 0.00 0.00 175.52 175.30 2jps h ALA 71 N 1.67 0.76 0.02 0.00 0.00 -1.01 -0.39 119.26 120.31 2jps h ALA 71 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jps h ALA 71 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jps h ALA 71 CO 0.04 0.68 -0.01 0.74 0.00 0.00 0.00 179.25 180.70 2jps h PHE 72 N 0.41 -0.02 -0.87 0.00 -1.00 -0.94 -1.52 116.94 112.99 2jps h PHE 72 Ca 0.02 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 2jps h PHE 72 Cb 1.03 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 2jps h PHE 72 CO 0.04 0.23 0.46 0.74 -1.61 0.00 0.00 178.31 178.17 2jps h PHE 73 N -0.28 1.22 -0.89 -0.55 0.04 -1.43 -2.27 116.94 112.78 2jps h PHE 73 Ca -0.00 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.75 2jps h PHE 73 Cb 0.27 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 2jps h PHE 73 CO 0.01 0.85 0.59 0.00 -0.60 0.00 0.00 178.31 179.16 2jps h ALA 74 N 1.27 1.40 -0.94 2.45 0.00 -0.85 -1.26 119.26 121.33 2jps h ALA 74 Ca 0.31 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2jps h ALA 74 Cb 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2jps h ALA 74 CO -0.05 0.53 0.61 -0.07 0.00 0.00 0.00 179.25 180.28 2jps h LEU 75 N 1.16 1.02 -0.26 0.00 3.38 -0.67 0.61 115.31 120.55 2jps h LEU 75 Ca 0.34 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 2jps h LEU 75 Cb -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2jps h LEU 75 CO -0.09 0.70 -0.54 -0.08 0.09 0.00 0.00 178.44 178.52 2jps h GLU 76 N 1.19 0.83 -0.33 1.13 4.81 -1.30 -1.82 114.58 119.09 2jps h GLU 76 Ca 0.38 -0.54 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 2jps h GLU 76 Cb 0.01 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2jps h GLU 76 CO -0.12 1.17 -0.31 0.00 -0.73 0.00 0.00 179.01 179.02 2jps h ALA 77 N 0.65 0.84 -0.44 2.92 0.00 -0.65 -2.87 119.26 119.70 2jps h ALA 77 Ca 0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2jps h ALA 77 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2jps h ALA 77 CO 0.12 0.64 -0.23 1.25 0.00 0.00 0.00 179.25 181.03 2jps h LEU 78 N 0.60 0.92 -1.67 0.00 5.85 0.25 -1.15 115.31 120.11 2jps h LEU 78 Ca 0.07 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2jps h LEU 78 Cb 0.83 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2jps h LEU 78 CO 0.07 1.11 0.01 1.56 -0.34 0.00 0.00 178.44 180.85 2jps h GLN 79 N 0.78 0.22 0.19 1.25 4.20 -1.19 -2.97 115.11 117.59 2jps h GLN 79 Ca 0.10 -0.03 -0.35 0.00 0.06 0.00 0.00 58.65 58.44 2jps h GLN 79 Cb 0.78 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.53 2jps h GLN 79 CO 0.06 0.23 -1.72 0.37 -0.67 0.00 0.00 178.83 177.11 2jps h GLN 80 N 0.22 0.41 0.00 1.46 4.15 -1.29 -3.49 115.11 116.57 2jps h GLN 80 Ca 0.05 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.77 2jps h GLN 80 Cb 0.13 0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2jps h GLN 80 CO 0.00 1.33 0.00 0.41 -1.93 0.00 0.00 178.83 178.64 2jps n GLY 81 N 1.84 0.20 3.51 2.39 0.00 -0.46 -5.13 105.19 107.54 2jps n GLY 81 Ca -0.24 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 1.74 -0.08 1.61 -6.30 -1.06 -4.95 118.70 109.65 2jps s GLU 82 Ca 0.00 -1.91 0.01 0.00 -2.50 0.00 0.00 54.97 50.57 2jps s GLU 82 Cb 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 34.13 32.64 2jps s GLU 82 CO 0.00 0.06 -0.09 -1.12 0.02 0.00 0.00 175.26 174.13 2jps s SER 83 N -3.56 4.48 -0.21 -1.70 0.01 -1.26 -4.89 113.70 106.56 2jps s SER 83 Ca 0.32 -0.10 0.13 0.00 1.31 0.00 0.00 55.95 57.61 2jps s SER 83 Cb 0.04 -1.22 -0.23 0.00 0.21 0.00 0.00 66.02 64.83 2jps s SER 83 CO 0.15 0.32 0.02 0.00 0.41 0.00 0.00 173.24 174.14 2jps n ALA 84 N 2.52 1.47 -0.30 1.44 0.00 -1.26 -4.42 120.51 119.96 2jps n ALA 84 Ca -0.18 -1.23 0.05 0.00 0.00 0.00 0.00 53.44 52.08 2jps n ALA 84 Cb 0.53 -0.20 0.26 0.00 0.00 0.00 0.00 19.45 20.03 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 0.96 -0.84 0.00 4.22 -1.95 -1.58 114.58 115.39 2jps h GLU 85 Ca -0.54 -0.06 0.05 0.00 0.08 0.00 0.00 59.36 58.89 2jps h GLU 85 Cb 2.13 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 2jps h GLU 85 CO -0.00 0.63 0.55 -0.91 -2.18 0.00 0.00 179.01 177.10 2jps h ASN 86 N 0.99 0.85 -0.44 1.04 2.35 -2.02 -1.41 115.58 116.94 2jps h ASN 86 Ca 0.40 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 2jps h ASN 86 Cb 0.28 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2jps h ASN 86 CO -0.16 0.56 0.11 0.40 -1.65 0.00 0.00 177.43 176.69 2jps h ILE 87 N 0.98 1.22 -0.80 2.81 2.04 -1.51 -2.53 117.51 119.71 2jps h ILE 87 Ca 0.35 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.42 2jps h ILE 87 Cb 0.15 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2jps h ILE 87 CO -0.12 0.30 0.53 0.58 0.00 0.00 0.00 178.15 179.44 2jps h VAL 88 N 0.75 1.16 -0.87 1.67 2.07 -1.18 -1.84 116.25 118.02 2jps h VAL 88 Ca 0.16 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2jps h VAL 88 Cb 0.30 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 2jps h VAL 88 CO 0.00 0.19 0.53 0.28 0.02 0.00 0.00 177.57 178.59 2jps h SER 89 N 1.04 0.80 0.03 0.57 0.02 -1.35 0.34 113.55 114.99 2jps h SER 89 Ca 0.31 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.16 2jps h SER 89 Cb -0.04 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2jps h SER 89 CO -0.08 0.48 -0.41 0.50 -1.14 0.00 0.00 176.83 176.18 2jps h LYS 90 N 0.92 0.48 -0.27 3.45 3.11 -1.39 -2.57 116.57 120.30 2jps h LYS 90 Ca 0.40 -0.24 -0.18 0.00 -2.81 0.00 0.00 60.65 57.82 2jps h LYS 90 Cb 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2jps h LYS 90 CO -0.21 0.81 -0.55 0.82 -2.81 0.00 0.00 179.45 177.51 2jps h ILE 91 N 0.40 1.28 -0.73 2.00 1.08 -0.56 -1.41 117.51 119.57 2jps h ILE 91 Ca 0.03 -1.75 -0.03 0.00 -0.39 0.00 0.00 64.86 62.73 2jps h ILE 91 Cb 0.89 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 2jps h ILE 91 CO 0.08 0.56 0.35 0.03 -0.69 0.00 0.00 178.15 178.48 2jps h ARG 92 N 0.62 1.05 -0.17 2.37 3.08 -0.28 0.84 114.38 121.87 2jps h ARG 92 Ca 0.01 -0.14 -0.20 0.00 0.07 0.00 0.00 59.98 59.72 2jps h ARG 92 Cb 1.14 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 31.00 2jps h ARG 92 CO 0.12 0.80 -0.68 1.98 -1.07 0.00 0.00 179.97 181.12 2jps h MET 93 N 1.04 0.77 -0.25 0.04 4.05 -1.37 -1.37 114.93 117.84 2jps h MET 93 Ca 0.25 -0.60 -0.17 0.00 -0.28 0.00 0.00 59.70 58.91 2jps h MET 93 Cb 0.10 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2jps h MET 93 CO -0.03 1.21 -0.51 1.98 0.23 0.00 0.00 176.91 179.78 2jps h MET 94 N 0.50 0.72 -0.36 0.39 1.85 -0.89 -2.68 114.93 114.47 2jps h MET 94 Ca -0.04 -0.44 -0.11 0.00 -0.61 0.00 0.00 59.70 58.50 2jps h MET 94 Cb 1.31 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.37 2jps h MET 94 CO 0.14 1.06 -0.23 -0.91 -0.40 0.00 0.00 176.91 176.57 2jps h ASN 95 N 0.56 0.73 -0.68 1.39 2.35 0.70 -2.90 115.58 117.72 2jps h ASN 95 Ca 0.02 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 2jps h ASN 95 Cb 1.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 2jps h ASN 95 CO 0.11 0.94 0.17 0.00 -1.65 0.00 0.00 177.43 177.00 2jps h ALA 96 N 1.12 0.99 -0.87 -0.83 0.00 -1.15 -2.76 119.26 115.75 2jps h ALA 96 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jps h ALA 96 Cb 0.73 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2jps h ALA 96 CO 0.06 0.66 0.52 0.37 0.00 0.00 0.00 179.25 180.85 2jps h GLN 97 N 1.05 1.19 -0.80 0.00 5.75 -1.30 0.17 115.11 121.18 2jps h GLN 97 Ca 0.22 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 2jps h GLN 97 Cb 0.36 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 28.62 2jps h GLN 97 CO 0.00 0.84 0.52 1.03 -2.65 0.00 0.00 178.83 178.58 2jps h SER 98 N 1.20 0.79 -0.65 -0.69 0.87 -1.30 -2.59 113.55 111.18 2jps h SER 98 Ca 0.31 -0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.41 2jps h SER 98 Cb -0.03 -0.17 -0.32 0.00 -0.44 0.00 0.00 62.40 61.44 2jps h SER 98 CO -0.06 0.52 -0.45 0.18 -0.53 0.00 0.00 176.83 176.50 2jps n LEU 99 N -4.47 4.97 -3.55 2.23 4.77 -0.84 -4.84 117.00 115.27 2jps n LEU 99 Ca 0.11 -4.47 -0.32 0.00 -0.03 0.00 0.00 56.01 51.30 2jps n LEU 99 Cb 0.18 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2jps n LEU 99 CO 0.34 1.83 0.46 0.61 -1.33 0.00 0.00 177.39 179.30 2jps n GLY 100 N -0.84 5.09 3.93 -0.72 0.00 0.55 -4.99 105.19 108.21 2jps n GLY 100 Ca 0.42 -2.74 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -2.79 2.98 -1.50 1.61 -0.21 -1.26 -4.50 119.66 113.99 2jps s GLN 101 Ca 0.38 -1.11 -0.12 0.00 0.02 0.00 0.00 55.36 54.53 2jps s GLN 101 Cb 0.14 -2.68 0.08 0.00 1.00 0.00 0.00 33.01 31.54 2jps s GLN 101 CO 0.00 0.10 0.85 0.45 -2.12 0.00 0.00 175.29 174.57 2jps n SER 102 N -1.51 -4.72 -2.58 5.90 2.88 -1.26 -4.87 113.62 107.45 2jps n SER 102 Ca -0.01 -0.66 -0.08 0.00 -1.33 0.00 0.00 58.87 56.78 2jps n SER 102 Cb 0.59 -3.79 0.04 0.00 -0.75 0.00 0.00 64.21 60.29 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jps n ASP 103 N -2.69 2.64 -4.20 -3.46 -0.08 -1.26 -5.09 116.55 102.41 2jps n ASP 103 Ca 0.02 -2.61 -0.19 0.00 -1.51 0.00 0.00 54.79 50.50 2jps n ASP 103 Cb 0.54 -0.44 -0.10 0.00 2.34 0.00 0.00 41.12 43.46 2jps n ASP 103 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2jps s ILE 104 N -4.05 0.57 0.00 5.18 -4.36 -1.26 -5.18 121.20 112.10 2jps s ILE 104 Ca 0.35 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2jps s ILE 104 Cb 0.36 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.48 2jps s ILE 104 CO -0.02 0.00 0.09 0.00 0.24 0.00 0.00 174.94 175.25