#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 0.90 -3.84 7.83 3.41 -1.26 -4.91 113.62 115.75 2jps n SER 2 Ca 0.00 0.12 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 2jps n SER 2 Cb 0.00 -0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jps n GLN 3 N -3.44 2.43 -0.08 4.33 1.13 -1.26 -4.85 117.38 115.64 2jps n GLN 3 Ca -0.02 -4.55 -0.20 0.00 -1.94 0.00 0.00 57.00 50.30 2jps n GLN 3 Cb 0.17 -2.33 -0.13 0.00 0.11 0.00 0.00 30.24 28.06 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 1.70 0.69 -0.28 -1.09 2.13 -1.26 -3.46 120.64 119.08 2jps n GLU 4 Ca 0.24 0.20 0.11 0.00 0.66 0.00 0.00 57.16 58.37 2jps n GLU 4 Cb 0.37 -1.60 0.36 0.00 0.27 0.00 0.00 31.44 30.85 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 -0.02 0.70 -0.05 5.31 3.07 -1.99 0.52 115.11 122.65 2jps h GLN 5 Ca -0.52 -0.04 -0.21 0.00 0.09 0.00 0.00 58.65 57.97 2jps h GLN 5 Cb 1.93 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 29.34 2jps h GLN 5 CO -0.03 0.46 -0.84 1.88 0.09 0.00 0.00 178.83 180.40 2jps h TYR 6 N 0.72 0.64 -0.49 0.06 -1.99 -1.97 -2.18 116.97 111.77 2jps h TYR 6 Ca 0.45 -0.31 -0.11 0.00 2.00 0.00 0.00 58.73 60.76 2jps h TYR 6 Cb 0.68 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 2jps h TYR 6 CO -0.00 1.11 -0.12 1.15 -0.00 0.00 0.00 178.16 180.29 2jps h THR 7 N 0.28 1.27 -0.41 -2.88 2.02 -0.82 0.89 112.91 113.26 2jps h THR 7 Ca -0.06 -1.26 -0.14 0.00 0.77 0.00 0.00 66.41 65.72 2jps h THR 7 Cb 1.45 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2jps h THR 7 CO 0.15 0.44 -0.31 -0.33 0.37 0.00 0.00 175.52 175.84 2jps h GLU 8 N 0.80 0.94 -0.01 6.66 5.08 -0.11 0.16 114.58 128.09 2jps h GLU 8 Ca 0.12 -0.46 -0.25 0.00 -1.00 0.00 0.00 59.36 57.78 2jps h GLU 8 Cb 0.68 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 2jps h GLU 8 CO 0.05 1.12 -0.99 -0.91 -1.00 0.00 0.00 179.01 177.28 2jps h ASN 9 N 0.76 0.79 -0.35 1.42 4.21 -1.30 -3.18 115.58 117.93 2jps h ASN 9 Ca 0.08 -0.62 -0.09 0.00 1.21 0.00 0.00 56.30 56.88 2jps h ASN 9 Cb 0.90 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.84 2jps h ASN 9 CO 0.08 1.42 -0.09 0.25 -1.29 0.00 0.00 177.43 177.81 2jps h LEU 10 N 0.35 0.76 -1.69 1.61 5.85 0.88 -2.56 115.31 120.51 2jps h LEU 10 Ca -0.11 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2jps h LEU 10 Cb 1.63 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2jps h LEU 10 CO 0.19 0.88 0.24 0.50 -0.34 0.00 0.00 178.44 179.91 2jps h LYS 11 N 0.70 0.40 -0.04 1.25 3.11 -0.67 0.35 116.57 121.68 2jps h LYS 11 Ca 0.12 -0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.78 2jps h LYS 11 Cb 0.56 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.70 2jps h LYS 11 CO 0.03 0.27 -0.59 0.28 -2.81 0.00 0.00 179.45 176.64 2jps h VAL 12 N 0.42 1.39 -0.28 2.00 2.07 -1.45 -2.29 116.25 118.10 2jps h VAL 12 Ca 0.14 -1.98 -0.11 0.00 0.82 0.00 0.00 66.70 65.57 2jps h VAL 12 Cb 0.07 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2jps h VAL 12 CO -0.03 0.59 -0.28 0.40 0.02 0.00 0.00 177.57 178.26 2jps h ILE 13 N 0.02 1.28 -0.58 4.57 2.04 -1.09 -2.44 117.51 121.31 2jps h ILE 13 Ca -0.06 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 2jps h ILE 13 Cb 1.26 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 2jps h ILE 13 CO 0.12 0.44 0.06 0.58 0.00 0.00 0.00 178.15 179.35 2jps h VAL 14 N 0.49 1.26 -0.34 1.67 2.07 -0.33 -2.63 116.25 118.44 2jps h VAL 14 Ca 0.06 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2jps h VAL 14 Cb 0.75 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2jps h VAL 14 CO 0.06 0.38 0.03 0.00 0.02 0.00 0.00 177.57 178.06 2jps h ALA 15 N 0.99 1.43 -0.89 1.67 0.00 -1.20 -2.50 119.26 118.76 2jps h ALA 15 Ca 0.17 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2jps h ALA 15 Cb 0.47 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2jps h ALA 15 CO 0.02 0.41 0.58 1.49 0.00 0.00 0.00 179.25 181.75 2jps h GLU 16 N 0.50 0.55 0.18 0.00 4.81 -1.05 0.56 114.58 120.12 2jps h GLU 16 Ca 0.11 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 16 Cb 0.27 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.55 2jps h GLU 16 CO 0.00 0.36 -1.41 -0.22 -0.73 0.00 0.00 179.01 177.02 2jps h LYS 17 N 0.56 0.38 0.28 1.92 1.63 -1.51 -2.84 116.57 116.99 2jps h LYS 17 Ca 0.46 -0.64 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2jps h LYS 17 Cb 0.92 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2jps h LYS 17 CO -0.21 1.31 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.90 2jps h LEU 18 N -0.09 -0.32 -2.32 5.20 3.38 -1.06 -1.36 115.31 118.74 2jps h LEU 18 Ca -0.27 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jps h LEU 18 Cb 1.94 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 2jps h LEU 18 CO 0.17 0.02 0.05 0.00 0.09 0.00 0.00 178.44 178.77 2jps h ALA 19 N -0.08 1.69 0.12 1.53 0.00 -0.07 -2.23 119.26 120.23 2jps h ALA 19 Ca -0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jps h ALA 19 CO 0.06 -0.08 -1.21 0.78 0.00 0.00 0.00 179.25 178.81 2jps h GLY 20 N 0.00 0.43 -6.64 0.00 0.00 -1.24 -3.45 103.07 92.18 2jps h GLY 20 Ca 0.02 -0.98 -0.64 0.00 0.00 0.00 0.00 47.33 45.73 2jps h GLY 20 CO -0.00 0.86 1.33 1.39 0.00 0.00 0.00 176.54 180.12 2jps n ILE 21 N -3.63 0.33 0.37 2.60 5.41 -0.54 -4.82 119.36 119.08 2jps n ILE 21 Ca -0.10 -0.25 0.13 0.00 1.00 0.00 0.00 62.75 63.53 2jps n ILE 21 Cb 0.99 -1.88 0.54 0.00 -0.71 0.00 0.00 39.64 38.58 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 11.87 0.00 -0.82 0.38 0.13 -1.87 -3.06 132.00 138.63 2jps h PRO 22 Ca -0.37 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.25 2jps h PRO 22 Cb 1.29 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.14 2jps h PRO 22 CO 0.99 0.00 0.36 0.09 -0.23 0.00 0.00 178.00 179.21 2jps n ASN 23 N -2.47 5.10 -4.25 1.44 4.13 -1.26 -4.89 115.26 113.05 2jps n ASN 23 Ca 0.02 -3.74 -0.43 0.00 1.68 0.00 0.00 54.58 52.11 2jps n ASN 23 Cb 0.26 -0.77 -0.06 0.00 -1.54 0.00 0.00 39.78 37.66 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2jps s PHE 24 N -3.53 3.41 -0.69 3.10 5.36 -1.16 -4.94 117.98 119.53 2jps s PHE 24 Ca 0.56 -1.74 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 2jps s PHE 24 Cb 0.47 -3.63 0.39 0.00 -0.34 0.00 0.00 43.02 39.90 2jps s PHE 24 CO 0.03 -0.99 1.76 -1.71 -1.46 0.00 0.00 175.22 172.84 2jps n ASN 25 N 4.81 6.72 -1.41 6.13 5.15 -1.26 -4.98 115.26 130.42 2jps n ASN 25 Ca -0.06 -3.80 -0.03 0.00 -0.60 0.00 0.00 54.58 50.09 2jps n ASN 25 Cb 0.41 -0.87 -0.01 0.00 -0.53 0.00 0.00 39.78 38.79 2jps n ASN 25 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2jps n GLU 26 N -0.59 0.12 -1.66 1.20 0.28 -1.26 -5.09 120.64 113.64 2jps n GLU 26 Ca 0.51 -0.59 -0.47 0.00 -0.16 0.00 0.00 57.16 56.44 2jps n GLU 26 Cb 0.44 0.54 -0.05 0.00 1.43 0.00 0.00 31.44 33.80 2jps n GLU 26 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2jps n ASP 27 N -2.26 3.46 -0.11 -1.84 8.00 -1.26 -4.85 116.55 117.68 2jps n ASP 27 Ca 0.01 0.88 -0.13 0.00 0.71 0.00 0.00 54.79 56.26 2jps n ASP 27 Cb 0.12 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 39.69 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 5.50 1.33 0.09 0.53 0.00 -1.26 -3.47 119.36 122.07 2jps n ILE 28 Ca 0.24 -0.67 -0.20 0.00 0.00 0.00 0.00 62.75 62.12 2jps n ILE 28 Cb 0.31 -0.90 -0.15 0.00 0.00 0.00 0.00 39.64 38.91 2jps n ILE 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2jps h LYS 29 N 0.00 0.35 0.00 9.51 3.64 -1.99 -3.12 116.57 124.96 2jps h LYS 29 Ca -0.52 -0.60 -0.13 0.00 -1.27 0.00 0.00 60.65 58.13 2jps h LYS 29 Cb 2.00 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 34.03 2jps h LYS 29 CO -0.02 1.25 -0.61 -0.92 -2.27 0.00 0.00 179.45 176.88 2jps h TYR 30 N 0.10 0.00 -0.13 1.91 3.20 -1.97 -3.05 116.97 117.02 2jps h TYR 30 Ca -0.26 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.44 2jps h TYR 30 Cb 2.07 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.33 2jps h TYR 30 CO 0.09 0.61 -0.62 -0.24 -1.64 0.00 0.00 178.16 176.36 2jps h VAL 31 N 0.00 1.35 -0.54 1.81 3.04 -1.64 -3.05 116.25 117.21 2jps h VAL 31 Ca -0.01 -1.93 -0.10 0.00 -1.01 0.00 0.00 66.70 63.66 2jps h VAL 31 Cb 1.12 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 32.29 2jps h VAL 31 CO 0.08 0.59 -0.05 0.00 -1.01 0.00 0.00 177.57 177.18 2jps h ALA 32 N 0.98 0.88 -0.67 3.17 0.00 -1.50 -1.55 119.26 120.58 2jps h ALA 32 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 32 Cb 1.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2jps h ALA 32 CO 0.11 0.65 0.43 0.93 0.00 0.00 0.00 179.25 181.37 2jps h GLU 33 N 0.88 0.84 -0.59 0.00 5.08 -1.48 0.22 114.58 119.52 2jps h GLU 33 Ca 0.15 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2jps h GLU 33 Cb 0.59 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2jps h GLU 33 CO 0.04 0.55 0.03 -0.92 -1.00 0.00 0.00 179.01 177.71 2jps h TYR 34 N 0.86 1.11 -0.62 4.33 3.20 -1.40 -0.71 116.97 123.74 2jps h TYR 34 Ca 0.26 -0.18 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2jps h TYR 34 Cb -0.04 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.90 2jps h TYR 34 CO -0.04 0.98 0.40 0.82 -1.64 0.00 0.00 178.16 178.68 2jps h ILE 35 N 0.92 1.12 -0.65 1.81 2.04 -0.52 0.13 117.51 122.37 2jps h ILE 35 Ca 0.17 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2jps h ILE 35 Cb 0.51 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2jps h ILE 35 CO 0.02 0.15 0.18 0.58 0.00 0.00 0.00 178.15 179.08 2jps h VAL 36 N 0.80 1.25 -0.79 1.67 2.07 -0.69 -0.26 116.25 120.30 2jps h VAL 36 Ca 0.24 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2jps h VAL 36 Cb -0.04 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2jps h VAL 36 CO -0.07 0.34 0.51 0.25 0.02 0.00 0.00 177.57 178.62 2jps h LEU 37 N 0.95 0.86 -0.29 2.57 5.85 -0.26 0.91 115.31 125.90 2jps h LEU 37 Ca 0.21 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jps h LEU 37 Cb 0.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2jps h LEU 37 CO -0.00 0.60 0.08 -0.07 -0.34 0.00 0.00 178.44 178.71 2jps h LEU 38 N 1.01 0.43 -0.69 2.25 3.38 -0.57 -0.40 115.31 120.72 2jps h LEU 38 Ca 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2jps h LEU 38 Cb -0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jps h LEU 38 CO -0.09 0.54 0.35 0.40 0.09 0.00 0.00 178.44 179.72 2jps h ILE 39 N 0.30 1.23 0.00 1.22 1.08 -0.27 0.71 117.51 121.78 2jps h ILE 39 Ca 0.09 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2jps h ILE 39 Cb 0.27 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 2jps h ILE 39 CO -0.00 0.26 0.00 0.58 -0.69 0.00 0.00 178.15 178.30 2jps h VAL 40 N 0.96 0.00 0.00 1.67 2.07 0.11 -3.24 116.25 117.83 2jps h VAL 40 Ca 0.24 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2jps h VAL 40 Cb 0.10 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2jps h VAL 40 CO -0.03 0.00 -0.37 0.59 0.02 0.00 0.00 177.57 177.78 2jps n ASN 41 N -2.90 1.35 0.00 0.57 3.02 -0.18 -4.95 115.26 112.17 2jps n ASN 41 Ca 0.01 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 2jps n ASN 41 Cb 0.29 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.70 -1.78 3.16 7.41 0.00 0.24 -4.97 105.19 108.55 2jps n GLY 42 Ca 0.10 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.44 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 2.28 2.91 -0.02 0.00 -1.24 -4.37 105.19 104.74 2jps n GLY 43 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 5.43 1.63 0.44 2.61 -4.23 -1.26 -5.00 115.64 115.26 2jps s THR 44 Ca 0.59 -1.71 0.24 0.00 -1.18 0.00 0.00 61.69 59.63 2jps s THR 44 Cb 0.14 -2.11 0.44 0.00 1.34 0.00 0.00 72.50 72.31 2jps s THR 44 CO 0.15 -0.47 1.77 0.58 -0.54 0.00 0.00 174.62 176.12 2jps h VAL 45 N 6.59 0.47 0.27 2.29 2.07 -1.95 0.87 116.25 126.87 2jps h VAL 45 Ca -0.11 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2jps h VAL 45 Cb 1.03 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jps h VAL 45 CO 0.47 0.05 -0.13 -0.33 0.02 0.00 0.00 177.57 177.65 2jps h GLU 46 N 0.27 -0.35 -0.50 1.57 4.39 -1.97 -0.17 114.58 117.81 2jps h GLU 46 Ca 0.59 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.27 2jps h GLU 46 Cb 1.76 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.47 2jps h GLU 46 CO -0.22 -0.04 0.12 1.03 -1.16 0.00 0.00 179.01 178.74 2jps h SER 47 N -0.96 0.71 -0.27 1.42 0.87 -1.76 -1.33 113.55 112.23 2jps h SER 47 Ca -0.04 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2jps h SER 47 Cb 0.48 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2jps h SER 47 CO 0.06 0.71 0.06 0.58 -0.53 0.00 0.00 176.83 177.71 2jps h VAL 48 N 0.74 1.22 -0.66 2.23 2.07 0.71 -2.12 116.25 120.44 2jps h VAL 48 Ca 0.17 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2jps h VAL 48 Cb 0.28 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2jps h VAL 48 CO -0.00 0.24 0.22 0.58 0.02 0.00 0.00 177.57 178.63 2jps h VAL 49 N 0.27 1.25 -0.55 2.57 2.07 -0.75 -2.24 116.25 118.87 2jps h VAL 49 Ca 0.09 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2jps h VAL 49 Cb 0.30 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2jps h VAL 49 CO 0.00 0.32 0.37 0.44 0.02 0.00 0.00 177.57 178.72 2jps h ASP 50 N 0.95 0.51 -0.38 0.57 3.32 -1.07 0.90 116.42 121.22 2jps h ASP 50 Ca 0.21 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 2jps h ASP 50 Cb 0.27 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2jps h ASP 50 CO -0.01 0.34 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.31 2jps h GLU 51 N 0.59 0.82 -0.30 3.56 3.07 -0.79 -0.45 114.58 121.07 2jps h GLU 51 Ca 0.23 -0.37 -0.16 0.00 -0.50 0.00 0.00 59.36 58.55 2jps h GLU 51 Cb 0.17 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2jps h GLU 51 CO -0.06 1.01 -0.45 -0.07 -1.40 0.00 0.00 179.01 178.03 2jps h LEU 52 N 0.63 0.92 -1.00 1.33 -0.00 -1.06 -3.03 115.31 113.10 2jps h LEU 52 Ca 0.08 -0.51 -0.04 0.00 -0.00 0.00 0.00 57.88 57.41 2jps h LEU 52 Cb 0.78 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2jps h LEU 52 CO 0.06 1.25 0.20 0.00 -0.00 0.00 0.00 178.44 179.96 2jps h ALA 53 N 0.69 1.20 -0.77 1.53 0.00 -0.78 1.01 119.26 122.14 2jps h ALA 53 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jps h ALA 53 Cb 1.05 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2jps h ALA 53 CO 0.10 0.57 0.51 1.03 0.00 0.00 0.00 179.25 181.46 2jps h SER 54 N 0.90 0.83 0.07 0.00 0.87 -0.96 -2.61 113.55 112.65 2jps h SER 54 Ca 0.20 -0.01 -0.38 0.00 -1.23 0.00 0.00 61.79 60.38 2jps h SER 54 Cb 0.24 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 2jps h SER 54 CO -0.01 0.58 -2.21 0.18 -0.53 0.00 0.00 176.83 174.84 2jps n LEU 55 N -4.44 2.75 -3.93 2.23 4.77 -0.96 -4.57 117.00 112.85 2jps n LEU 55 Ca 0.10 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.75 2jps n LEU 55 Cb 0.10 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 2jps n LEU 55 CO 0.35 0.88 0.78 0.49 -1.33 0.00 0.00 177.39 178.57 2jps n PHE 56 N -3.38 3.12 1.77 -1.77 3.72 0.34 -4.82 117.46 116.45 2jps n PHE 56 Ca -0.38 -3.25 0.14 0.00 -0.05 0.00 0.00 57.45 53.91 2jps n PHE 56 Cb 1.02 -1.14 0.69 0.00 -0.94 0.00 0.00 39.48 39.11 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 1.48 0.60 -1.82 4.37 2.03 -0.99 -3.76 116.55 118.46 2jps n ASP 57 Ca 0.26 -1.30 0.06 0.00 0.52 0.00 0.00 54.79 54.33 2jps n ASP 57 Cb 0.36 -0.01 0.37 0.00 -0.72 0.00 0.00 41.12 41.12 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jps n SER 58 N -0.49 5.40 -4.19 1.67 7.64 -1.26 -4.93 113.62 117.46 2jps n SER 58 Ca 0.20 -2.90 -0.20 0.00 1.01 0.00 0.00 58.87 56.98 2jps n SER 58 Cb 0.19 -0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jps s VAL 59 N -2.67 1.24 0.39 0.44 0.11 -1.25 -5.06 120.40 113.60 2jps s VAL 59 Ca 0.51 -1.30 -0.27 0.00 -2.93 0.00 0.00 61.98 57.99 2jps s VAL 59 Cb 0.39 -1.16 -0.11 0.00 -1.53 0.00 0.00 36.38 33.97 2jps s VAL 59 CO 0.15 -0.15 1.40 -1.54 -3.33 0.00 0.00 175.10 171.63 2jps n SER 60 N 1.35 3.30 -0.25 3.54 3.41 -1.26 -4.87 113.62 118.83 2jps n SER 60 Ca -0.20 1.19 0.12 0.00 -0.26 0.00 0.00 58.87 59.71 2jps n SER 60 Cb 0.54 -1.57 0.39 0.00 -0.26 0.00 0.00 64.21 63.31 2jps n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jps h ARG 61 N 2.61 0.65 -0.76 4.33 -0.00 -1.98 -0.70 114.38 118.54 2jps h ARG 61 Ca -0.49 -0.04 0.05 0.00 -0.50 0.00 0.00 59.98 59.00 2jps h ARG 61 Cb 1.26 -0.15 -0.05 0.00 0.00 0.00 0.00 29.97 31.04 2jps h ARG 61 CO 0.62 0.43 0.50 0.22 0.00 0.00 0.00 179.97 181.74 2jps h ASP 62 N 0.67 0.74 -0.62 7.04 3.58 -1.98 0.40 116.42 126.25 2jps h ASP 62 Ca 0.43 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.79 2jps h ASP 62 Cb 0.71 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2jps h ASP 62 CO -0.19 0.49 0.04 0.74 -2.88 0.00 0.00 179.24 177.44 2jps h THR 63 N 0.85 1.26 -0.16 2.25 2.02 -1.47 0.13 112.91 117.80 2jps h THR 63 Ca 0.32 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 2jps h THR 63 Cb 0.16 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2jps h THR 63 CO -0.10 0.41 -0.23 -0.07 0.37 0.00 0.00 175.52 175.90 2jps h LEU 64 N 0.98 0.47 -1.23 2.58 3.38 -1.29 -3.02 115.31 117.18 2jps h LEU 64 Ca 0.18 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2jps h LEU 64 Cb 0.51 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jps h LEU 64 CO 0.02 0.90 0.32 0.00 0.09 0.00 0.00 178.44 179.77 2jps h ALA 65 N 0.58 1.41 -0.79 1.53 0.00 -0.84 -2.20 119.26 118.95 2jps h ALA 65 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 65 Cb 0.79 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2jps h ALA 65 CO 0.05 0.48 0.52 -0.91 0.00 0.00 0.00 179.25 179.40 2jps h ASN 66 N 0.85 0.89 0.26 0.00 2.35 -0.65 0.85 115.58 120.14 2jps h ASN 66 Ca 0.22 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.74 2jps h ASN 66 Cb 0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2jps h ASN 66 CO -0.03 0.64 -0.81 0.58 -1.65 0.00 0.00 177.43 176.15 2jps h VAL 67 N 1.05 1.38 -0.15 2.81 2.07 -1.29 -2.97 116.25 119.15 2jps h VAL 67 Ca 0.30 -2.25 -0.12 0.00 0.82 0.00 0.00 66.70 65.44 2jps h VAL 67 Cb -0.08 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2jps h VAL 67 CO -0.07 0.68 -0.44 0.58 0.02 0.00 0.00 177.57 178.33 2jps h VAL 68 N 0.27 1.32 -0.48 2.57 2.07 -0.92 -2.87 116.25 118.21 2jps h VAL 68 Ca -0.05 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 2jps h VAL 68 Cb 1.42 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2jps h VAL 68 CO 0.14 0.49 0.24 -0.61 0.02 0.00 0.00 177.57 177.85 2jps h GLN 69 N 0.30 0.69 0.00 1.57 4.15 -0.78 -1.47 115.11 119.57 2jps h GLN 69 Ca 0.02 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 2jps h GLN 69 Cb 0.90 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2jps h GLN 69 CO 0.08 0.57 -0.27 0.00 -1.93 0.00 0.00 178.83 177.28 2jps h THR 70 N 0.63 1.13 -0.19 2.39 1.03 -1.43 -1.30 112.91 115.17 2jps h THR 70 Ca 0.17 -0.93 -0.20 0.00 -0.01 0.00 0.00 66.41 65.44 2jps h THR 70 Cb 0.10 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 2jps h THR 70 CO -0.02 0.26 -0.66 0.00 -0.01 0.00 0.00 175.52 175.09 2jps h ALA 71 N 1.73 0.46 0.15 0.00 0.00 -1.20 0.18 119.26 120.59 2jps h ALA 71 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2jps h ALA 71 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jps h ALA 71 CO 0.03 0.70 -0.07 0.74 0.00 0.00 0.00 179.25 180.65 2jps h PHE 72 N 0.53 -0.19 -0.89 0.00 -1.00 -0.84 -1.04 116.94 113.50 2jps h PHE 72 Ca -0.02 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 2jps h PHE 72 Cb 1.26 0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.84 2jps h PHE 72 CO 0.07 0.07 0.54 0.35 -1.61 0.00 0.00 178.31 177.72 2jps h PHE 73 N -0.43 1.16 -0.89 -0.55 3.57 -1.26 -1.95 116.94 116.59 2jps h PHE 73 Ca -0.02 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2jps h PHE 73 Cb 0.34 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 2jps h PHE 73 CO 0.00 0.77 0.59 0.00 -2.23 0.00 0.00 178.31 177.44 2jps h ALA 74 N 1.37 1.41 -0.91 2.41 0.00 -0.36 -1.97 119.26 121.22 2jps h ALA 74 Ca 0.32 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2jps h ALA 74 Cb -0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.33 2jps h ALA 74 CO -0.06 0.52 0.57 -0.07 0.00 0.00 0.00 179.25 180.21 2jps h LEU 75 N 1.15 0.88 -0.50 0.00 -0.00 -0.38 0.15 115.31 116.61 2jps h LEU 75 Ca 0.34 0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 58.13 2jps h LEU 75 Cb -0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 2jps h LEU 75 CO -0.09 0.55 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.45 2jps h GLU 76 N 1.01 0.96 -0.58 1.13 4.39 -1.32 -2.15 114.58 118.01 2jps h GLU 76 Ca 0.40 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 2jps h GLU 76 Cb 0.21 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2jps h GLU 76 CO -0.19 1.04 -0.03 0.00 -1.16 0.00 0.00 179.01 178.67 2jps h ALA 77 N 0.90 0.84 -0.81 3.43 0.00 -0.87 -2.86 119.26 119.89 2jps h ALA 77 Ca 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2jps h ALA 77 Cb 0.68 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jps h ALA 77 CO 0.05 0.67 0.35 -0.07 0.00 0.00 0.00 179.25 180.25 2jps h LEU 78 N 0.95 1.09 -1.74 0.00 3.38 -0.59 -0.76 115.31 117.64 2jps h LEU 78 Ca 0.16 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2jps h LEU 78 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2jps h LEU 78 CO 0.04 0.95 0.28 1.56 0.09 0.00 0.00 178.44 181.35 2jps h GLN 79 N 1.17 0.31 0.18 1.13 7.50 -1.16 -2.76 115.11 121.48 2jps h GLN 79 Ca 0.27 -0.02 -0.35 0.00 0.50 0.00 0.00 58.65 59.06 2jps h GLN 79 Cb 0.17 -0.07 0.01 0.00 0.05 0.00 0.00 27.48 27.64 2jps h GLN 79 CO -0.03 0.21 -1.74 0.37 -1.50 0.00 0.00 178.83 176.13 2jps h GLN 80 N 0.32 0.38 0.00 1.46 4.15 -1.32 -3.49 115.11 116.60 2jps h GLN 80 Ca 0.18 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2jps h GLN 80 Cb 0.31 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2jps h GLN 80 CO -0.04 1.31 0.00 0.41 -1.93 0.00 0.00 178.83 178.58 2jps n GLY 81 N 1.86 0.60 3.76 2.39 0.00 -0.35 -5.14 105.19 108.32 2jps n GLY 81 Ca -0.25 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 2.17 -0.08 1.61 2.12 -1.18 -4.99 118.70 118.35 2jps s GLU 82 Ca 0.00 -2.18 0.02 0.00 0.36 0.00 0.00 54.97 53.17 2jps s GLU 82 Cb 0.00 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.63 2jps s GLU 82 CO 0.00 -0.31 -0.13 -1.12 -0.54 0.00 0.00 175.26 173.16 2jps s SER 83 N -3.93 4.08 -0.20 -1.70 0.01 -1.26 -4.95 113.70 105.76 2jps s SER 83 Ca 0.22 -0.22 0.13 0.00 1.31 0.00 0.00 55.95 57.39 2jps s SER 83 Cb 0.03 -1.13 -0.23 0.00 0.21 0.00 0.00 66.02 64.89 2jps s SER 83 CO 0.12 0.29 0.05 0.00 0.41 0.00 0.00 173.24 174.11 2jps n ALA 84 N 2.71 1.47 -0.27 1.44 0.00 -1.26 -4.41 120.51 120.20 2jps n ALA 84 Ca -0.18 -1.22 0.06 0.00 0.00 0.00 0.00 53.44 52.11 2jps n ALA 84 Cb 0.52 -0.23 0.29 0.00 0.00 0.00 0.00 19.45 20.04 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 0.88 -0.80 0.00 4.81 -1.95 -1.55 114.58 115.96 2jps h GLU 85 Ca -0.53 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2jps h GLU 85 Cb 2.14 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 2jps h GLU 85 CO 0.01 0.58 0.52 -0.91 -0.73 0.00 0.00 179.01 178.48 2jps h ASN 86 N 0.90 0.81 -0.40 1.04 4.21 -2.02 -1.54 115.58 118.59 2jps h ASN 86 Ca 0.38 -0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.83 2jps h ASN 86 Cb 0.30 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 2jps h ASN 86 CO -0.15 0.54 0.05 0.40 -1.29 0.00 0.00 177.43 176.98 2jps h ILE 87 N 0.93 1.23 -0.80 2.81 2.04 -1.51 -2.64 117.51 119.56 2jps h ILE 87 Ca 0.33 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2jps h ILE 87 Cb 0.14 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2jps h ILE 87 CO -0.11 0.32 0.53 0.58 0.00 0.00 0.00 178.15 179.46 2jps h VAL 88 N 0.71 1.18 -0.86 1.67 2.07 -1.23 -1.98 116.25 117.82 2jps h VAL 88 Ca 0.15 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jps h VAL 88 Cb 0.36 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 2jps h VAL 88 CO 0.01 0.19 0.53 0.77 0.02 0.00 0.00 177.57 179.09 2jps h SER 89 N 1.05 0.83 0.16 0.57 4.64 -1.38 0.15 113.55 119.58 2jps h SER 89 Ca 0.30 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.52 2jps h SER 89 Cb -0.08 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2jps h SER 89 CO -0.07 0.53 -0.41 0.50 -0.87 0.00 0.00 176.83 176.51 2jps h LYS 90 N 0.97 0.33 -0.21 4.77 3.64 -1.41 -2.20 116.57 122.45 2jps h LYS 90 Ca 0.38 -0.16 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 2jps h LYS 90 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2jps h LYS 90 CO -0.18 0.69 -0.64 0.82 -2.27 0.00 0.00 179.45 177.87 2jps h ILE 91 N 0.27 1.29 -0.48 2.00 1.08 -0.64 -1.29 117.51 119.75 2jps h ILE 91 Ca 0.02 -1.85 -0.10 0.00 -0.39 0.00 0.00 64.86 62.54 2jps h ILE 91 Cb 0.85 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 2jps h ILE 91 CO 0.07 0.59 -0.09 -0.09 -0.69 0.00 0.00 178.15 177.94 2jps h ARG 92 N 0.57 0.86 -0.18 2.37 2.43 -0.64 0.16 114.38 119.94 2jps h ARG 92 Ca -0.01 -0.29 -0.20 0.00 -0.81 0.00 0.00 59.98 58.67 2jps h ARG 92 Cb 1.25 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2jps h ARG 92 CO 0.13 0.91 -0.67 0.52 -1.51 0.00 0.00 179.97 179.36 2jps h MET 93 N 0.77 0.71 -0.20 0.20 2.86 -1.36 -0.75 114.93 117.16 2jps h MET 93 Ca 0.13 -0.52 -0.17 0.00 -2.06 0.00 0.00 59.70 57.08 2jps h MET 93 Cb 0.60 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 2jps h MET 93 CO 0.04 1.14 -0.58 0.52 1.06 0.00 0.00 176.91 179.09 2jps h MET 94 N 0.51 0.65 -0.14 1.72 2.86 -1.06 -0.75 114.93 118.72 2jps h MET 94 Ca -0.02 -0.43 -0.18 0.00 -2.06 0.00 0.00 59.70 57.01 2jps h MET 94 Cb 1.27 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 2jps h MET 94 CO 0.13 1.05 -0.65 -0.91 1.06 0.00 0.00 176.91 177.59 2jps h ASN 95 N 0.49 0.63 -0.12 1.22 2.35 -0.66 -0.91 115.58 118.59 2jps h ASN 95 Ca 0.00 -0.37 -0.18 0.00 -0.55 0.00 0.00 56.30 55.20 2jps h ASN 95 Cb 1.15 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2jps h ASN 95 CO 0.11 1.11 -0.60 0.00 -1.65 0.00 0.00 177.43 176.41 2jps h ALA 96 N 0.89 0.53 -0.37 -0.83 0.00 -1.09 -1.93 119.26 116.47 2jps h ALA 96 Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2jps h ALA 96 Cb 1.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jps h ALA 96 CO 0.12 0.69 -0.41 0.37 0.00 0.00 0.00 179.25 180.02 2jps h GLN 97 N 0.54 0.93 -0.56 0.00 -0.00 -1.10 0.77 115.11 115.69 2jps h GLN 97 Ca -0.00 -0.51 -0.06 0.00 -0.00 0.00 0.00 58.65 58.08 2jps h GLN 97 Cb 1.19 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.67 2jps h GLN 97 CO 0.12 1.16 0.11 0.77 0.00 0.00 0.00 178.83 180.99 2jps h SER 98 N 0.74 0.83 -0.55 -0.69 0.02 -1.13 -3.07 113.55 109.70 2jps h SER 98 Ca 0.05 -0.16 -0.38 0.00 -0.84 0.00 0.00 61.79 60.46 2jps h SER 98 Cb 1.01 -0.22 -0.27 0.00 0.14 0.00 0.00 62.40 63.07 2jps h SER 98 CO 0.10 0.83 -0.44 -0.11 -1.14 0.00 0.00 176.83 176.06 2jps n LEU 99 N -4.25 4.61 0.06 5.07 7.94 -0.73 -4.84 117.00 124.86 2jps n LEU 99 Ca 0.04 -4.35 -0.02 0.00 -1.11 0.00 0.00 56.01 50.56 2jps n LEU 99 Cb 0.25 -0.50 -0.01 0.00 0.53 0.00 0.00 43.42 43.69 2jps n LEU 99 CO 0.41 1.74 0.37 1.23 -1.11 0.00 0.00 177.39 180.03 2jps h GLY 100 N 1.70 -0.16 -5.55 -3.96 0.00 0.67 -3.47 103.07 92.29 2jps h GLY 100 Ca 0.29 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2jps h GLY 100 CO 0.62 -0.06 -1.01 -1.06 0.00 0.00 0.00 176.54 175.04 2jps n GLN 101 N -2.53 -2.65 -3.05 4.80 1.13 -1.26 -4.42 117.38 109.40 2jps n GLN 101 Ca -0.02 2.24 -0.15 0.00 -1.94 0.00 0.00 57.00 57.13 2jps n GLN 101 Cb 0.06 -3.67 0.02 0.00 0.11 0.00 0.00 30.24 26.75 2jps n GLN 101 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2jps n SER 102 N 1.27 -7.16 -2.46 1.08 2.88 -1.26 -4.96 113.62 103.01 2jps n SER 102 Ca -0.08 0.47 -0.22 0.00 -1.33 0.00 0.00 58.87 57.71 2jps n SER 102 Cb 0.26 -4.00 0.01 0.00 -0.75 0.00 0.00 64.21 59.73 2jps n SER 102 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jps n ASP 103 N 0.03 3.96 -3.15 -3.46 9.92 -1.26 -5.00 116.55 117.60 2jps n ASP 103 Ca 0.03 -3.45 -0.15 0.00 -0.53 0.00 0.00 54.79 50.70 2jps n ASP 103 Cb 0.46 -0.46 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2jps n ASP 103 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2jps n ILE 104 N -0.44 -8.46 -0.54 0.53 -0.00 -1.26 -5.19 119.36 104.00 2jps n ILE 104 Ca 0.32 0.35 0.00 0.00 -0.00 0.00 0.00 62.75 63.43 2jps n ILE 104 Cb 0.75 -5.91 0.00 0.00 -0.00 0.00 0.00 39.64 34.48 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55