#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 0.00 -3.94 7.83 2.88 -1.26 -5.12 113.62 114.01 2jps n SER 2 Ca 0.00 -0.84 -0.30 0.00 -1.33 0.00 0.00 58.87 56.40 2jps n SER 2 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2jps n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jps s GLN 3 N -1.52 1.98 -0.22 -1.46 -1.52 -1.26 -4.92 119.66 110.74 2jps s GLN 3 Ca 0.00 -2.65 -0.05 0.00 -1.95 0.00 0.00 55.36 50.71 2jps s GLN 3 Cb 0.00 -3.29 -0.19 0.00 -0.22 0.00 0.00 33.01 29.31 2jps s GLN 3 CO 0.00 -1.12 -0.07 0.39 -0.25 0.00 0.00 175.29 174.24 2jps n GLU 4 N 3.05 0.66 -0.26 2.91 1.02 -1.26 -3.43 120.64 123.33 2jps n GLU 4 Ca 0.06 0.23 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 2jps n GLU 4 Cb 0.32 -1.58 0.32 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.23 0.80 -0.20 3.49 3.07 -2.00 0.23 115.11 120.27 2jps h GLN 5 Ca -0.55 -0.05 -0.20 0.00 0.09 0.00 0.00 58.65 57.95 2jps h GLN 5 Cb 1.84 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 29.23 2jps h GLN 5 CO -0.11 0.53 -0.64 1.88 0.09 0.00 0.00 178.83 180.58 2jps h TYR 6 N 0.82 1.03 -0.97 0.06 -1.99 -1.98 -2.94 116.97 111.01 2jps h TYR 6 Ca 0.40 -0.42 0.07 0.00 2.00 0.00 0.00 58.73 60.77 2jps h TYR 6 Cb 0.43 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 38.92 2jps h TYR 6 CO -0.00 1.24 0.62 1.15 -0.00 0.00 0.00 178.16 181.17 2jps h THR 7 N 0.52 1.07 -0.55 -2.88 2.02 -1.11 0.93 112.91 112.91 2jps h THR 7 Ca -0.02 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 2jps h THR 7 Cb 1.26 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2jps h THR 7 CO 0.14 0.20 -0.01 -0.08 0.37 0.00 0.00 175.52 176.14 2jps h GLU 8 N 1.12 0.97 -0.01 6.66 4.81 -0.98 0.60 114.58 127.75 2jps h GLU 8 Ca 0.42 -0.31 -0.26 0.00 -0.13 0.00 0.00 59.36 59.07 2jps h GLU 8 Cb 0.18 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.49 2jps h GLU 8 CO -0.18 0.98 -1.02 -0.91 -0.73 0.00 0.00 179.01 177.16 2jps h ASN 9 N 0.85 0.90 -0.20 1.04 4.21 -1.19 -3.08 115.58 118.11 2jps h ASN 9 Ca 0.15 -0.71 -0.11 0.00 1.21 0.00 0.00 56.30 56.84 2jps h ASN 9 Cb 0.55 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 2jps h ASN 9 CO 0.03 1.51 -0.24 0.25 -1.29 0.00 0.00 177.43 177.69 2jps h LEU 10 N 0.40 0.68 -1.32 1.61 6.46 0.97 -2.79 115.31 121.32 2jps h LEU 10 Ca -0.12 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.41 2jps h LEU 10 Cb 1.67 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.38 2jps h LEU 10 CO 0.20 0.90 0.47 0.11 -0.62 0.00 0.00 178.44 179.50 2jps h LYS 11 N 0.58 0.89 -0.14 1.25 1.57 0.23 0.19 116.57 121.13 2jps h LYS 11 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2jps h LYS 11 Cb 0.72 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jps h LYS 11 CO 0.06 0.59 -0.10 0.28 -0.57 0.00 0.00 179.45 179.71 2jps h VAL 12 N 0.92 1.33 -0.50 0.50 2.07 -1.41 -1.71 116.25 117.45 2jps h VAL 12 Ca 0.27 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 2jps h VAL 12 Cb -0.06 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2jps h VAL 12 CO -0.06 0.35 0.02 0.40 0.02 0.00 0.00 177.57 178.30 2jps h ILE 13 N -0.03 1.24 -0.64 4.57 2.04 -1.22 -2.03 117.51 121.44 2jps h ILE 13 Ca 0.03 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 2jps h ILE 13 Cb 0.60 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2jps h ILE 13 CO 0.03 0.35 0.16 0.58 0.00 0.00 0.00 178.15 179.27 2jps h VAL 14 N 0.77 1.25 -0.40 1.67 2.07 -0.57 -2.56 116.25 118.48 2jps h VAL 14 Ca 0.15 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2jps h VAL 14 Cb 0.44 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jps h VAL 14 CO 0.02 0.35 0.01 0.00 0.02 0.00 0.00 177.57 177.96 2jps h ALA 15 N 1.06 1.27 -0.85 1.67 0.00 -0.97 -2.06 119.26 119.38 2jps h ALA 15 Ca 0.20 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2jps h ALA 15 Cb 0.35 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2jps h ALA 15 CO 0.00 0.49 0.55 1.49 0.00 0.00 0.00 179.25 181.79 2jps h GLU 16 N 0.60 0.76 0.19 0.00 4.81 -0.94 0.43 114.58 120.43 2jps h GLU 16 Ca 0.13 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 59.01 2jps h GLU 16 Cb 0.37 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.60 2jps h GLU 16 CO 0.01 0.50 -1.39 -0.22 -0.73 0.00 0.00 179.01 177.19 2jps h LYS 17 N 0.79 0.41 0.15 1.92 1.63 -1.43 -2.72 116.57 117.32 2jps h LYS 17 Ca 0.40 -0.70 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 2jps h LYS 17 Cb 0.49 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2jps h LYS 17 CO -0.17 1.34 -0.07 -0.07 -3.45 0.00 0.00 179.45 177.02 2jps h LEU 18 N -0.05 -0.18 -2.17 5.20 3.38 -0.92 -1.24 115.31 119.33 2jps h LEU 18 Ca -0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2jps h LEU 18 Cb 1.98 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 2jps h LEU 18 CO 0.19 0.10 -0.07 0.00 0.09 0.00 0.00 178.44 178.76 2jps h ALA 19 N 0.34 1.39 0.09 1.53 0.00 -0.31 -2.56 119.26 119.74 2jps h ALA 19 Ca -0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2jps h ALA 19 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jps h ALA 19 CO 0.03 0.08 -1.15 0.78 0.00 0.00 0.00 179.25 179.00 2jps h GLY 20 N 0.46 0.26 -5.64 0.00 0.00 -1.14 -3.45 103.07 93.57 2jps h GLY 20 Ca -0.00 -0.63 -0.64 0.00 0.00 0.00 0.00 47.33 46.06 2jps h GLY 20 CO 0.01 0.55 0.92 1.39 0.00 0.00 0.00 176.54 179.41 2jps n ILE 21 N -3.53 0.33 0.38 2.60 5.41 -0.50 -4.84 119.36 119.21 2jps n ILE 21 Ca -0.06 -0.06 0.14 0.00 1.00 0.00 0.00 62.75 63.76 2jps n ILE 21 Cb 0.98 -1.56 0.52 0.00 -0.71 0.00 0.00 39.64 38.86 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 7.55 0.00 -0.83 0.38 0.13 -1.88 -3.12 132.00 134.22 2jps h PRO 22 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 2jps h PRO 22 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 2jps h PRO 22 CO 0.92 0.00 0.43 0.09 -0.23 0.00 0.00 178.00 179.21 2jps n ASN 23 N -2.55 4.55 -4.29 1.44 4.13 -1.26 -4.92 115.26 112.35 2jps n ASN 23 Ca 0.02 -3.71 -0.36 0.00 1.68 0.00 0.00 54.58 52.21 2jps n ASN 23 Cb 0.30 -0.79 -0.14 0.00 -1.54 0.00 0.00 39.78 37.61 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 -3.45 3.06 -0.22 3.10 2.19 -1.18 -5.00 117.98 116.47 2jps s PHE 24 Ca 0.56 -1.14 -0.04 0.00 0.33 0.00 0.00 56.93 56.64 2jps s PHE 24 Cb 0.47 -2.14 -0.00 0.00 -1.31 0.00 0.00 43.02 40.03 2jps s PHE 24 CO 0.05 -0.61 -0.05 1.21 1.83 0.00 0.00 175.22 177.64 2jps s ASN 25 N 1.44 4.25 0.22 6.13 3.84 -1.26 -5.03 114.94 124.53 2jps s ASN 25 Ca 0.03 -0.44 0.00 0.00 0.21 0.00 0.00 52.86 52.66 2jps s ASN 25 Cb -0.16 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 2jps s ASN 25 CO -0.02 -0.03 0.00 -0.62 -2.79 0.00 0.00 177.10 173.64 2jps n GLU 26 N 4.78 -1.91 -3.66 0.43 4.71 -1.26 -4.79 120.64 118.95 2jps n GLU 26 Ca -0.18 1.26 -0.28 0.00 -0.01 0.00 0.00 57.16 57.95 2jps n GLU 26 Cb 0.51 -2.33 0.01 0.00 -1.01 0.00 0.00 31.44 28.61 2jps n GLU 26 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2jps n ASP 27 N -4.37 -4.40 -0.11 1.62 9.92 -1.26 -4.87 116.55 113.08 2jps n ASP 27 Ca 0.01 -0.61 -0.14 0.00 -0.53 0.00 0.00 54.79 53.51 2jps n ASP 27 Cb 0.61 -3.57 -0.14 0.00 -0.64 0.00 0.00 41.12 37.38 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 -4.36 1.44 0.10 0.53 0.00 -1.26 -3.51 119.36 112.29 2jps n ILE 28 Ca 0.01 -0.71 -0.19 0.00 0.00 0.00 0.00 62.75 61.86 2jps n ILE 28 Cb 0.54 -0.94 -0.15 0.00 0.00 0.00 0.00 39.64 39.09 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 0.34 0.00 9.51 3.64 -1.98 -3.20 116.57 124.89 2jps h LYS 29 Ca -0.56 -0.59 -0.12 0.00 -1.27 0.00 0.00 60.65 58.11 2jps h LYS 29 Cb 2.07 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 34.10 2jps h LYS 29 CO -0.03 1.25 -0.58 1.88 -2.27 0.00 0.00 179.45 179.70 2jps h TYR 30 N 0.09 0.00 0.00 1.91 0.05 -1.97 -3.10 116.97 113.96 2jps h TYR 30 Ca -0.22 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.45 2jps h TYR 30 Cb 2.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.77 2jps h TYR 30 CO 0.08 0.58 -0.54 -0.24 -1.05 0.00 0.00 178.16 177.00 2jps h VAL 31 N 0.00 1.30 -0.36 -2.88 3.04 -1.63 -3.08 116.25 112.63 2jps h VAL 31 Ca -0.01 -1.90 -0.13 0.00 -1.01 0.00 0.00 66.70 63.65 2jps h VAL 31 Cb 1.10 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.42 2jps h VAL 31 CO 0.08 0.53 -0.32 0.00 -1.01 0.00 0.00 177.57 176.85 2jps h ALA 32 N 1.46 0.77 -0.35 3.17 0.00 -1.53 -1.94 119.26 120.84 2jps h ALA 32 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jps h ALA 32 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jps h ALA 32 CO 0.07 0.65 0.22 0.93 0.00 0.00 0.00 179.25 181.12 2jps h GLU 33 N 0.66 0.44 -0.76 0.00 5.08 -1.56 0.14 114.58 118.58 2jps h GLU 33 Ca 0.07 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jps h GLU 33 Cb 0.86 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2jps h GLU 33 CO 0.07 0.29 0.29 -0.92 -1.00 0.00 0.00 179.01 177.75 2jps h TYR 34 N 0.45 1.17 -0.02 4.33 3.20 -1.51 0.21 116.97 124.79 2jps h TYR 34 Ca 0.13 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jps h TYR 34 Cb -0.03 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 2jps h TYR 34 CO -0.06 0.89 0.01 0.82 -1.64 0.00 0.00 178.16 178.18 2jps h ILE 35 N 1.11 1.06 -0.85 1.81 2.04 -0.62 -0.46 117.51 121.60 2jps h ILE 35 Ca 0.25 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 2jps h ILE 35 Cb 0.23 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2jps h ILE 35 CO -0.02 0.04 0.40 0.58 0.00 0.00 0.00 178.15 179.16 2jps h VAL 36 N -0.03 1.26 -0.63 1.67 2.07 -0.44 -0.79 116.25 119.36 2jps h VAL 36 Ca 0.01 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.85 2jps h VAL 36 Cb 0.06 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 2jps h VAL 36 CO -0.00 0.32 0.34 0.25 0.02 0.00 0.00 177.57 178.49 2jps h LEU 37 N 1.21 0.50 -0.70 2.57 5.85 -0.10 0.52 115.31 125.15 2jps h LEU 37 Ca 0.29 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 2jps h LEU 37 Cb 0.12 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2jps h LEU 37 CO -0.04 0.32 0.18 -0.07 -0.34 0.00 0.00 178.44 178.50 2jps h LEU 38 N 0.63 1.04 -0.27 2.25 3.38 -0.51 -0.90 115.31 120.94 2jps h LEU 38 Ca 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jps h LEU 38 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jps h LEU 38 CO -0.18 1.00 0.11 0.40 0.09 0.00 0.00 178.44 179.85 2jps h ILE 39 N 1.04 1.17 -0.69 1.22 1.08 0.32 -2.61 117.51 119.04 2jps h ILE 39 Ca 0.22 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 2jps h ILE 39 Cb 0.35 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 2jps h ILE 39 CO -0.00 0.18 0.35 0.58 -0.69 0.00 0.00 178.15 178.57 2jps h VAL 40 N 0.29 1.22 -0.79 1.67 2.07 0.19 -2.32 116.25 118.58 2jps h VAL 40 Ca 0.09 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.10 2jps h VAL 40 Cb 0.18 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 2jps h VAL 40 CO -0.01 0.25 0.52 0.78 0.02 0.00 0.00 177.57 179.13 2jps h ASN 41 N 0.97 0.75 0.00 0.57 2.35 -0.79 -3.45 115.58 115.98 2jps h ASN 41 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2jps h ASN 41 Cb 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2jps h ASN 41 CO -0.04 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 2jps n GLY 42 N -1.43 -1.02 0.00 2.83 0.00 -0.88 -5.07 105.19 99.61 2jps n GLY 42 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.21 0.70 3.13 -0.02 0.00 -1.15 -4.97 105.19 101.68 2jps n GLY 43 Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.85 2.99 0.45 2.61 -4.23 -1.26 -4.98 115.64 110.37 2jps s THR 44 Ca 0.00 -1.76 0.23 0.00 -1.18 0.00 0.00 61.69 58.98 2jps s THR 44 Cb 0.00 -2.91 0.42 0.00 1.34 0.00 0.00 72.50 71.36 2jps s THR 44 CO 0.00 -0.38 1.82 0.58 -0.54 0.00 0.00 174.62 176.10 2jps h VAL 45 N 6.45 0.57 0.35 2.29 2.07 -1.96 0.94 116.25 126.96 2jps h VAL 45 Ca -0.16 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2jps h VAL 45 Cb 1.05 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2jps h VAL 45 CO 0.59 0.05 -0.17 -0.08 0.02 0.00 0.00 177.57 177.99 2jps h GLU 46 N 0.28 -0.45 -0.16 1.57 4.81 -1.98 0.46 114.58 119.11 2jps h GLU 46 Ca 0.52 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.67 2jps h GLU 46 Cb 1.52 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 2jps h GLU 46 CO -0.17 -0.12 -0.36 1.03 -0.73 0.00 0.00 179.01 178.65 2jps h SER 47 N -0.88 0.36 -0.02 1.04 0.87 -1.81 -0.18 113.55 112.93 2jps h SER 47 Ca -0.05 -0.14 -0.17 0.00 -1.23 0.00 0.00 61.79 60.20 2jps h SER 47 Cb 0.53 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2jps h SER 47 CO 0.08 0.70 -0.56 0.58 -0.53 0.00 0.00 176.83 177.10 2jps h VAL 48 N 0.30 1.31 -0.05 2.23 2.07 0.91 0.40 116.25 123.42 2jps h VAL 48 Ca 0.03 -1.80 -0.25 0.00 0.82 0.00 0.00 66.70 65.50 2jps h VAL 48 Cb 0.78 1.76 0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2jps h VAL 48 CO 0.06 0.56 -0.95 0.58 0.02 0.00 0.00 177.57 177.85 2jps h VAL 49 N 0.46 1.29 -0.51 2.57 2.07 0.09 -1.98 116.25 120.24 2jps h VAL 49 Ca 0.01 -2.17 -0.10 0.00 0.82 0.00 0.00 66.70 65.25 2jps h VAL 49 Cb 1.12 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 2jps h VAL 49 CO 0.11 0.67 -0.09 0.44 0.02 0.00 0.00 177.57 178.72 2jps h ASP 50 N 0.43 0.93 -0.38 0.57 3.32 -1.00 0.30 116.42 120.59 2jps h ASP 50 Ca -0.10 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.58 2jps h ASP 50 Cb 1.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2jps h ASP 50 CO 0.19 1.04 -0.07 -0.33 -1.72 0.00 0.00 179.24 178.34 2jps h GLU 51 N 0.84 0.72 -0.34 3.56 3.07 -0.91 0.33 114.58 121.85 2jps h GLU 51 Ca 0.14 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.36 58.57 2jps h GLU 51 Cb 0.62 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2jps h GLU 51 CO 0.04 0.86 -0.41 -0.07 -1.40 0.00 0.00 179.01 178.03 2jps h LEU 52 N 0.53 0.95 -0.91 1.33 3.38 -1.22 -3.00 115.31 116.37 2jps h LEU 52 Ca 0.10 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2jps h LEU 52 Cb 0.58 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2jps h LEU 52 CO 0.03 1.25 0.34 0.00 0.09 0.00 0.00 178.44 180.15 2jps h ALA 53 N 0.74 1.14 -0.57 1.53 0.00 -0.28 0.95 119.26 122.76 2jps h ALA 53 Ca 0.05 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2jps h ALA 53 Cb 1.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2jps h ALA 53 CO 0.10 0.63 0.38 0.77 0.00 0.00 0.00 179.25 181.13 2jps h SER 54 N 1.11 0.42 0.04 0.00 0.02 -0.79 -2.52 113.55 111.83 2jps h SER 54 Ca 0.26 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.84 2jps h SER 54 Cb 0.16 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 2jps h SER 54 CO -0.03 0.27 -2.25 0.18 -1.14 0.00 0.00 176.83 173.87 2jps n LEU 55 N -4.47 2.67 -4.02 5.07 4.77 -0.84 -4.63 117.00 115.54 2jps n LEU 55 Ca 0.08 0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 2jps n LEU 55 Cb 0.28 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 2jps n LEU 55 CO 0.34 0.82 0.59 0.49 -1.33 0.00 0.00 177.39 178.31 2jps n PHE 56 N -3.53 3.84 -1.17 -1.77 3.72 0.32 -4.85 117.46 114.03 2jps n PHE 56 Ca -0.42 -3.70 -0.17 0.00 -0.05 0.00 0.00 57.45 53.11 2jps n PHE 56 Cb 0.97 -1.19 0.23 0.00 -0.94 0.00 0.00 39.48 38.55 2jps n PHE 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jps n ASP 57 N 1.90 4.13 -0.10 4.37 5.75 -0.96 -4.41 116.55 127.23 2jps n ASP 57 Ca 0.24 -3.48 -0.17 0.00 -0.01 0.00 0.00 54.79 51.37 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -1.03 0.00 0.00 41.12 39.53 2jps n ASP 57 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jps n SER 58 N -0.79 1.73 -4.91 -1.12 3.41 -1.26 -4.96 113.62 105.72 2jps n SER 58 Ca 0.53 -0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.82 2jps n SER 58 Cb 1.57 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 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 4.98 0.43 -3.33 0.11 -1.26 -5.03 120.40 113.77 2jps s VAL 59 Ca -0.28 0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 58.61 2jps s VAL 59 Cb 0.08 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 31.06 2jps s VAL 59 CO 0.67 -0.47 1.08 -1.20 -3.33 0.00 0.00 175.10 171.86 2jps n SER 60 N -1.32 1.61 -0.19 3.54 7.64 -1.26 -4.85 113.62 118.80 2jps n SER 60 Ca -0.01 1.05 0.19 0.00 1.01 0.00 0.00 58.87 61.10 2jps n SER 60 Cb 0.54 -1.40 0.54 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 1.65 0.33 -0.91 1.43 2.47 -1.95 -0.77 114.38 116.63 2jps h ARG 61 Ca -0.46 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.33 2jps h ARG 61 Cb 1.33 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.51 2jps h ARG 61 CO 0.57 0.22 0.59 0.22 0.56 0.00 0.00 179.97 182.13 2jps h ASP 62 N 0.34 0.87 -0.51 7.04 1.82 -1.99 0.51 116.42 124.51 2jps h ASP 62 Ca 0.41 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 57.03 2jps h ASP 62 Cb 1.08 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.90 2jps h ASP 62 CO -0.13 0.54 0.18 0.74 -1.61 0.00 0.00 179.24 178.96 2jps h THR 63 N 0.97 1.22 -0.25 2.25 2.02 -1.47 0.63 112.91 118.29 2jps h THR 63 Ca 0.41 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2jps h THR 63 Cb 0.30 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2jps h THR 63 CO -0.17 0.27 -0.06 -0.07 0.37 0.00 0.00 175.52 175.86 2jps h LEU 64 N 0.68 0.49 -1.46 2.58 4.07 -1.35 -2.80 115.31 117.52 2jps h LEU 64 Ca 0.17 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2jps h LEU 64 Cb 0.24 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 2jps h LEU 64 CO -0.01 0.74 0.33 0.00 -1.08 0.00 0.00 178.44 178.42 2jps h ALA 65 N 0.77 1.60 -0.69 1.53 0.00 -0.76 -1.78 119.26 119.94 2jps h ALA 65 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jps h ALA 65 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2jps h ALA 65 CO 0.02 0.36 0.45 -0.97 0.00 0.00 0.00 179.25 179.12 2jps h ASN 66 N 0.71 0.79 -0.05 0.00 -0.73 -0.61 0.50 115.58 116.19 2jps h ASN 66 Ca 0.19 -0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.18 2jps h ASN 66 Cb -0.06 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.33 2jps h ASN 66 CO -0.04 0.57 -0.53 0.58 -0.37 0.00 0.00 177.43 177.64 2jps h VAL 67 N 0.93 1.31 -0.25 2.57 2.07 -1.26 -2.61 116.25 119.01 2jps h VAL 67 Ca 0.25 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.89 2jps h VAL 67 Cb -0.11 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2jps h VAL 67 CO -0.06 0.55 -0.38 0.58 0.02 0.00 0.00 177.57 178.28 2jps h VAL 68 N 0.49 1.30 -0.36 2.57 2.07 -0.83 -2.45 116.25 119.04 2jps h VAL 68 Ca 0.02 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2jps h VAL 68 Cb 1.08 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2jps h VAL 68 CO 0.10 0.49 0.20 -0.61 0.02 0.00 0.00 177.57 177.77 2jps h GLN 69 N 0.47 0.49 -0.04 1.57 -0.00 0.16 -1.54 115.11 116.22 2jps h GLN 69 Ca 0.04 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.58 2jps h GLN 69 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.25 2jps h GLN 69 CO 0.08 0.39 -0.25 0.00 0.00 0.00 0.00 178.83 179.05 2jps h THR 70 N 0.45 1.20 -0.38 2.39 1.03 -1.38 -1.97 112.91 114.25 2jps h THR 70 Ca 0.13 -0.95 -0.13 0.00 -0.01 0.00 0.00 66.41 65.45 2jps h THR 70 Cb 0.04 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.56 2jps h THR 70 CO -0.02 0.28 -0.27 0.00 -0.01 0.00 0.00 175.52 175.50 2jps h ALA 71 N 1.68 0.82 0.07 0.00 0.00 -0.91 0.48 119.26 121.39 2jps h ALA 71 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jps h ALA 71 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jps h ALA 71 CO 0.03 0.64 -0.03 0.74 0.00 0.00 0.00 179.25 180.64 2jps h PHE 72 N 0.68 -0.08 -0.63 0.00 -1.00 -0.82 0.13 116.94 115.21 2jps h PHE 72 Ca 0.08 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 2jps h PHE 72 Cb 0.80 0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.35 2jps h PHE 72 CO 0.04 0.24 0.28 0.35 -1.61 0.00 0.00 178.31 177.61 2jps h PHE 73 N -0.41 0.94 -0.78 -0.55 3.57 -1.32 -2.40 116.94 116.00 2jps h PHE 73 Ca -0.01 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2jps h PHE 73 Cb 0.36 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2jps h PHE 73 CO 0.03 0.73 0.43 0.00 -2.23 0.00 0.00 178.31 177.27 2jps h ALA 74 N 1.12 1.28 -0.95 2.41 0.00 0.08 -2.25 119.26 120.95 2jps h ALA 74 Ca 0.21 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jps h ALA 74 Cb 0.17 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2jps h ALA 74 CO -0.02 0.59 0.63 1.25 0.00 0.00 0.00 179.25 181.69 2jps h LEU 75 N 1.10 1.08 -0.58 0.00 6.46 -0.25 -1.68 115.31 121.44 2jps h LEU 75 Ca 0.28 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.93 2jps h LEU 75 Cb 0.03 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 2jps h LEU 75 CO -0.04 0.77 0.05 -0.08 -0.62 0.00 0.00 178.44 178.52 2jps h GLU 76 N 1.27 0.99 -0.90 1.25 4.81 -1.13 -2.81 114.58 118.06 2jps h GLU 76 Ca 0.35 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2jps h GLU 76 Cb -0.12 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 2jps h GLU 76 CO -0.08 0.96 0.53 0.00 -0.73 0.00 0.00 179.01 179.69 2jps h ALA 77 N 0.99 1.24 -0.93 2.92 0.00 -0.89 -2.29 119.26 120.29 2jps h ALA 77 Ca 0.17 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jps h ALA 77 Cb 0.48 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2jps h ALA 77 CO 0.02 0.64 0.61 -0.07 0.00 0.00 0.00 179.25 180.45 2jps h LEU 78 N 1.25 0.99 -1.74 0.00 3.38 -1.07 -1.28 115.31 116.85 2jps h LEU 78 Ca 0.32 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.36 2jps h LEU 78 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2jps h LEU 78 CO -0.06 0.67 0.32 1.56 0.09 0.00 0.00 178.44 181.02 2jps h GLN 79 N 1.15 0.30 0.00 1.13 7.50 -1.29 -3.14 115.11 120.75 2jps h GLN 79 Ca 0.38 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.49 2jps h GLN 79 Cb 0.06 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.52 2jps h GLN 79 CO -0.12 0.20 -0.23 0.37 -1.50 0.00 0.00 178.83 177.54 2jps h GLN 80 N 0.31 0.00 0.00 1.46 5.75 -1.28 -3.50 115.11 117.85 2jps h GLN 80 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2jps h GLN 80 Cb 0.43 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2jps h GLN 80 CO -0.05 0.24 0.00 0.41 -2.65 0.00 0.00 178.83 176.78 2jps n GLY 81 N 1.68 -0.25 3.81 2.39 0.00 -0.76 -5.15 105.19 106.91 2jps n GLY 81 Ca -0.06 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 2.23 -0.07 1.61 2.12 -1.25 -5.03 118.70 118.32 2jps s GLU 82 Ca 0.00 -2.36 0.05 0.00 0.36 0.00 0.00 54.97 53.01 2jps s GLU 82 Cb 0.00 -1.63 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 2jps s GLU 82 CO 0.00 -0.45 -0.21 -1.54 -0.54 0.00 0.00 175.26 172.52 2jps s SER 83 N -3.98 3.43 -0.18 -1.70 1.04 -1.26 -4.97 113.70 106.07 2jps s SER 83 Ca 0.08 -0.41 0.13 0.00 0.48 0.00 0.00 55.95 56.23 2jps s SER 83 Cb -0.00 -0.97 -0.23 0.00 0.10 0.00 0.00 66.02 64.92 2jps s SER 83 CO 0.05 0.25 0.12 0.00 0.98 0.00 0.00 173.24 174.64 2jps n ALA 84 N 2.91 1.46 -0.26 5.32 0.00 -1.26 -4.38 120.51 124.29 2jps n ALA 84 Ca -0.17 -1.17 0.06 0.00 0.00 0.00 0.00 53.44 52.16 2jps n ALA 84 Cb 0.52 -0.30 0.30 0.00 0.00 0.00 0.00 19.45 19.97 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 0.86 -0.80 0.00 4.81 -1.95 -1.47 114.58 116.04 2jps h GLU 85 Ca -0.51 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 58.75 2jps h GLU 85 Cb 2.13 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 2jps h GLU 85 CO 0.02 0.57 0.52 -0.91 -0.73 0.00 0.00 179.01 178.48 2jps h ASN 86 N 0.89 0.73 -0.27 1.04 2.35 -2.02 -0.94 115.58 117.36 2jps h ASN 86 Ca 0.38 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 56.06 2jps h ASN 86 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2jps h ASN 86 CO -0.15 0.46 -0.07 0.40 -1.65 0.00 0.00 177.43 176.42 2jps h ILE 87 N 0.82 1.24 -0.86 2.81 2.04 -1.49 -2.70 117.51 119.36 2jps h ILE 87 Ca 0.35 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2jps h ILE 87 Cb 0.31 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2jps h ILE 87 CO -0.13 0.35 0.57 0.58 0.00 0.00 0.00 178.15 179.52 2jps h VAL 88 N 0.60 1.19 -0.90 1.67 2.07 -1.12 -1.78 116.25 117.99 2jps h VAL 88 Ca 0.11 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.34 2jps h VAL 88 Cb 0.49 -0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 2jps h VAL 88 CO 0.03 0.21 0.54 0.77 0.02 0.00 0.00 177.57 179.13 2jps h SER 89 N 1.13 0.80 -0.03 0.57 4.64 -1.35 0.36 113.55 119.67 2jps h SER 89 Ca 0.33 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.57 2jps h SER 89 Cb -0.07 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2jps h SER 89 CO -0.08 0.46 -0.37 0.11 -0.87 0.00 0.00 176.83 176.08 2jps h LYS 90 N 0.91 0.53 -0.29 4.77 1.57 -1.39 -2.09 116.57 120.58 2jps h LYS 90 Ca 0.43 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 2jps h LYS 90 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2jps h LYS 90 CO -0.24 0.82 -0.55 0.82 -0.57 0.00 0.00 179.45 179.73 2jps h ILE 91 N 0.45 1.27 -0.73 1.86 1.08 -0.52 -0.04 117.51 120.88 2jps h ILE 91 Ca 0.05 -1.73 -0.06 0.00 -0.39 0.00 0.00 64.86 62.73 2jps h ILE 91 Cb 0.84 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 2jps h ILE 91 CO 0.07 0.57 0.24 -0.09 -0.69 0.00 0.00 178.15 178.25 2jps h ARG 92 N 0.66 1.12 -0.14 2.37 9.65 -0.26 0.68 114.38 128.46 2jps h ARG 92 Ca 0.01 -0.23 -0.21 0.00 -1.10 0.00 0.00 59.98 58.45 2jps h ARG 92 Cb 1.16 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.58 2jps h ARG 92 CO 0.12 0.94 -0.76 1.98 2.80 0.00 0.00 179.97 185.06 2jps h MET 93 N 1.08 0.72 -0.20 0.20 4.05 -1.31 -0.66 114.93 118.81 2jps h MET 93 Ca 0.24 -0.58 -0.17 0.00 -0.28 0.00 0.00 59.70 58.91 2jps h MET 93 Cb 0.28 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2jps h MET 93 CO -0.01 1.19 -0.58 1.98 0.23 0.00 0.00 176.91 179.72 2jps h MET 94 N 0.49 0.64 -0.19 0.39 1.85 -0.70 -1.53 114.93 115.88 2jps h MET 94 Ca -0.04 -0.43 -0.18 0.00 -0.61 0.00 0.00 59.70 58.44 2jps h MET 94 Cb 1.37 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.46 2jps h MET 94 CO 0.15 1.04 -0.61 -0.91 -0.40 0.00 0.00 176.91 176.18 2jps h ASN 95 N 0.48 0.72 -0.40 1.39 2.35 0.38 -2.96 115.58 117.54 2jps h ASN 95 Ca 0.00 -0.41 -0.12 0.00 -0.55 0.00 0.00 56.30 55.22 2jps h ASN 95 Cb 1.16 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 2jps h ASN 95 CO 0.12 1.16 -0.20 0.00 -1.65 0.00 0.00 177.43 176.85 2jps h ALA 96 N 0.85 0.79 -0.83 -0.83 0.00 -1.07 -2.87 119.26 115.29 2jps h ALA 96 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 96 Cb 1.19 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2jps h ALA 96 CO 0.12 0.65 0.55 0.37 0.00 0.00 0.00 179.25 180.94 2jps h GLN 97 N 0.78 1.02 -0.62 0.00 4.15 -1.21 -0.53 115.11 118.70 2jps h GLN 97 Ca 0.11 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.60 2jps h GLN 97 Cb 0.75 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 2jps h GLN 97 CO 0.06 0.68 0.42 1.03 -1.93 0.00 0.00 178.83 179.09 2jps h SER 98 N 1.05 0.25 0.14 -0.69 0.87 -1.34 -2.70 113.55 111.13 2jps h SER 98 Ca 0.33 0.01 -0.36 0.00 -1.23 0.00 0.00 61.79 60.53 2jps h SER 98 Cb 0.00 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2jps h SER 98 CO -0.09 0.14 -2.06 0.18 -0.53 0.00 0.00 176.83 174.47 2jps n LEU 99 N -4.44 2.49 0.00 2.23 4.32 -0.60 -5.06 117.00 115.93 2jps n LEU 99 Ca 0.11 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 2jps n LEU 99 Cb 0.50 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.35 2jps n LEU 99 CO 0.34 0.82 0.00 0.61 -1.22 0.00 0.00 177.39 177.95 2jps n GLY 100 N 2.00 3.06 2.74 -0.72 0.00 -0.31 -5.12 105.19 106.84 2jps n GLY 100 Ca -0.33 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2jps n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jps s GLN 101 N -1.90 0.95 -1.35 1.61 0.74 -1.26 -4.87 119.66 113.59 2jps s GLN 101 Ca 0.00 -1.44 -0.01 0.00 0.05 0.00 0.00 55.36 53.96 2jps s GLN 101 Cb 0.00 -2.18 0.01 0.00 1.10 0.00 0.00 33.01 31.94 2jps s GLN 101 CO 0.00 -1.04 0.66 0.45 -0.55 0.00 0.00 175.29 174.81 2jps n SER 102 N 4.37 -1.23 -3.47 6.67 2.88 -1.26 -4.97 113.62 116.61 2jps n SER 102 Ca 0.02 -0.86 -0.27 0.00 -1.33 0.00 0.00 58.87 56.44 2jps n SER 102 Cb 0.39 -3.83 -0.12 0.00 -0.75 0.00 0.00 64.21 59.91 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jps s ASP 103 N -4.29 2.83 -0.37 -3.46 2.15 -1.26 -5.02 116.67 107.25 2jps s ASP 103 Ca 0.05 -1.75 0.12 0.00 0.43 0.00 0.00 52.55 51.40 2jps s ASP 103 Cb -0.03 -0.20 0.35 0.00 -0.30 0.00 0.00 42.92 42.74 2jps s ASP 103 CO 0.83 -0.35 0.74 0.00 -0.17 0.00 0.00 175.17 176.23 2jps n ILE 104 N 4.51 -0.17 -1.05 4.11 3.06 -1.26 -5.06 119.36 123.50 2jps n ILE 104 Ca 0.06 -4.43 0.00 0.00 -2.50 0.00 0.00 62.75 55.87 2jps n ILE 104 Cb 0.40 -0.21 0.00 0.00 0.54 0.00 0.00 39.64 40.37 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05