#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jps s SER 2 N 0.00 -0.14 -0.73 6.12 0.01 -1.26 -5.09 113.70 112.61 2jps s SER 2 Ca 0.00 0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.61 2jps s SER 2 Cb 0.00 0.26 0.24 0.00 0.21 0.00 0.00 66.02 66.72 2jps s SER 2 CO 0.00 -0.10 0.78 0.00 0.41 0.00 0.00 173.24 174.33 2jps n GLN 3 N 3.63 2.61 -0.07 12.44 1.13 -1.26 -4.84 117.38 131.02 2jps n GLN 3 Ca -0.20 -4.61 -0.18 0.00 -1.94 0.00 0.00 57.00 50.08 2jps n GLN 3 Cb 0.55 -2.31 -0.13 0.00 0.11 0.00 0.00 30.24 28.46 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 1.28 0.69 -0.27 -1.09 2.13 -1.26 -3.49 120.64 118.63 2jps n GLU 4 Ca 0.27 0.18 0.11 0.00 0.66 0.00 0.00 57.16 58.37 2jps n GLU 4 Cb 0.38 -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 0.03 0.72 -0.06 5.31 3.07 -1.99 0.87 115.11 123.05 2jps h GLN 5 Ca -0.50 -0.04 -0.23 0.00 0.09 0.00 0.00 58.65 57.96 2jps h GLN 5 Cb 1.99 -0.16 0.01 0.00 0.08 0.00 0.00 27.48 29.40 2jps h GLN 5 CO -0.01 0.48 -0.90 1.88 0.09 0.00 0.00 178.83 180.37 2jps h TYR 6 N 0.74 0.90 -0.53 0.06 -1.99 -1.97 -2.36 116.97 111.82 2jps h TYR 6 Ca 0.44 -0.45 -0.10 0.00 2.00 0.00 0.00 58.73 60.62 2jps h TYR 6 Cb 0.64 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 2jps h TYR 6 CO -0.00 1.27 -0.05 1.15 -0.00 0.00 0.00 178.16 180.52 2jps h THR 7 N 0.39 1.27 -0.58 -2.88 2.02 -0.98 0.88 112.91 113.03 2jps h THR 7 Ca -0.08 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 65.81 2jps h THR 7 Cb 1.53 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2jps h THR 7 CO 0.17 0.42 -0.06 -0.08 0.37 0.00 0.00 175.52 176.34 2jps h GLU 8 N 0.85 1.06 0.09 6.66 4.81 0.64 0.81 114.58 129.50 2jps h GLU 8 Ca 0.14 -0.37 -0.27 0.00 -0.13 0.00 0.00 59.36 58.73 2jps h GLU 8 Cb 0.60 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.93 2jps h GLU 8 CO 0.04 1.07 -1.12 -0.91 -0.73 0.00 0.00 179.01 177.36 2jps h ASN 9 N 0.95 0.83 -0.22 1.04 4.21 -1.29 -3.15 115.58 117.97 2jps h ASN 9 Ca 0.16 -0.81 -0.10 0.00 1.21 0.00 0.00 56.30 56.76 2jps h ASN 9 Cb 0.63 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 2jps h ASN 9 CO 0.04 1.55 -0.19 0.25 -1.29 0.00 0.00 177.43 177.79 2jps h LEU 10 N 0.22 0.66 -1.59 1.61 5.85 0.88 -2.57 115.31 120.38 2jps h LEU 10 Ca -0.16 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jps h LEU 10 Cb 1.80 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 2jps h LEU 10 CO 0.22 0.85 0.32 0.50 -0.34 0.00 0.00 178.44 179.99 2jps h LYS 11 N 0.59 0.52 -0.06 1.25 3.11 0.64 0.38 116.57 123.00 2jps h LYS 11 Ca 0.09 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.74 2jps h LYS 11 Cb 0.66 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2jps h LYS 11 CO 0.05 0.34 -0.58 0.28 -2.81 0.00 0.00 179.45 176.73 2jps h VAL 12 N 0.53 1.38 -0.28 2.00 2.07 -1.43 -2.51 116.25 118.02 2jps h VAL 12 Ca 0.19 -1.95 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 2jps h VAL 12 Cb 0.11 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2jps h VAL 12 CO -0.05 0.58 -0.24 0.40 0.02 0.00 0.00 177.57 178.29 2jps h ILE 13 N 0.06 1.26 -0.60 4.57 2.04 -1.03 -2.43 117.51 121.39 2jps h ILE 13 Ca -0.06 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.46 2jps h ILE 13 Cb 1.25 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2jps h ILE 13 CO 0.12 0.41 0.04 0.58 0.00 0.00 0.00 178.15 179.29 2jps h VAL 14 N 0.47 1.26 -0.21 1.67 2.07 -0.26 -2.70 116.25 118.56 2jps h VAL 14 Ca 0.07 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 2jps h VAL 14 Cb 0.67 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2jps h VAL 14 CO 0.05 0.40 -0.16 0.00 0.02 0.00 0.00 177.57 177.88 2jps h ALA 15 N 0.99 1.35 -0.92 1.67 0.00 -1.22 -2.74 119.26 118.39 2jps h ALA 15 Ca 0.17 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2jps h ALA 15 Cb 0.51 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2jps h ALA 15 CO 0.02 0.44 0.59 1.49 0.00 0.00 0.00 179.25 181.80 2jps h GLU 16 N 0.33 0.57 0.19 0.00 4.81 -1.09 0.52 114.58 119.91 2jps h GLU 16 Ca 0.06 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 58.94 2jps h GLU 16 Cb 0.47 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.74 2jps h GLU 16 CO 0.03 0.37 -1.51 -0.22 -0.73 0.00 0.00 179.01 176.95 2jps h LYS 17 N 0.58 0.40 0.40 1.92 1.63 -1.55 -2.80 116.57 117.16 2jps h LYS 17 Ca 0.49 -0.69 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 2jps h LYS 17 Cb 0.96 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2jps h LYS 17 CO -0.23 1.33 -0.19 -0.07 -3.45 0.00 0.00 179.45 176.84 2jps h LEU 18 N -0.01 -0.46 -2.42 5.20 3.38 -1.12 -1.41 115.31 118.47 2jps h LEU 18 Ca -0.29 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2jps h LEU 18 Cb 2.01 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.88 2jps h LEU 18 CO 0.18 -0.11 0.05 0.00 0.09 0.00 0.00 178.44 178.65 2jps h ALA 19 N -0.40 1.58 0.10 1.53 0.00 -0.15 -2.18 119.26 119.75 2jps h ALA 19 Ca -0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jps h ALA 19 CO 0.09 -0.07 -1.18 0.78 0.00 0.00 0.00 179.25 178.88 2jps h GLY 20 N 0.00 0.33 -5.07 0.00 0.00 -1.22 -3.46 103.07 93.66 2jps h GLY 20 Ca 0.02 -0.78 -0.61 0.00 0.00 0.00 0.00 47.33 45.95 2jps h GLY 20 CO -0.00 0.69 0.65 1.39 0.00 0.00 0.00 176.54 179.26 2jps n ILE 21 N -3.57 0.16 0.23 2.60 5.41 -0.56 -4.87 119.36 118.77 2jps n ILE 21 Ca -0.08 -0.04 0.12 0.00 1.00 0.00 0.00 62.75 63.75 2jps n ILE 21 Cb 0.98 -1.29 0.45 0.00 -0.71 0.00 0.00 39.64 39.08 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 5.18 0.00 -0.84 0.38 0.13 -1.88 -3.17 132.00 131.81 2jps h PRO 22 Ca -0.46 0.00 -0.48 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 32.15 2jps h PRO 22 CO 0.83 0.14 0.45 0.09 -0.23 0.00 0.00 178.00 179.28 2jps n ASN 23 N -3.23 4.39 -3.77 1.44 3.02 -1.26 -4.77 115.26 111.08 2jps n ASN 23 Ca 0.01 -3.70 -0.28 0.00 -0.03 0.00 0.00 54.58 50.58 2jps n ASN 23 Cb 0.43 -0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2jps n PHE 24 N -1.07 2.61 -1.66 3.10 -0.00 -1.20 -4.92 117.46 114.32 2jps n PHE 24 Ca 0.54 -4.14 -0.25 0.00 -0.00 0.00 0.00 57.45 53.60 2jps n PHE 24 Cb 1.27 -0.48 0.07 0.00 -0.00 0.00 0.00 39.48 40.34 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2jps n ASN 25 N 1.98 5.55 -3.64 -2.13 4.13 -1.26 -4.89 115.26 115.00 2jps n ASN 25 Ca 0.22 -3.77 -0.08 0.00 1.68 0.00 0.00 54.58 52.63 2jps n ASN 25 Cb 0.38 -0.64 -0.07 0.00 -1.54 0.00 0.00 39.78 37.91 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2jps s GLU 26 N -3.62 0.66 -1.13 3.52 2.56 -1.26 -4.99 118.70 114.43 2jps s GLU 26 Ca 0.55 1.01 -0.18 0.00 0.00 0.00 0.00 54.97 56.35 2jps s GLU 26 Cb 0.45 0.21 -0.02 0.00 2.00 0.00 0.00 34.13 36.77 2jps s GLU 26 CO 0.02 -0.12 0.80 -0.25 -0.56 0.00 0.00 175.26 175.15 2jps n ASP 27 N 3.58 -5.31 -0.11 -1.70 9.92 -1.26 -4.93 116.55 116.74 2jps n ASP 27 Ca -0.17 -0.97 -0.12 0.00 -0.53 0.00 0.00 54.79 52.99 2jps n ASP 27 Cb 0.57 -3.62 -0.15 0.00 -0.64 0.00 0.00 41.12 37.29 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 -4.07 1.40 0.09 0.53 0.00 -1.26 -3.47 119.36 112.58 2jps n ILE 28 Ca -0.10 -0.76 -0.20 0.00 0.00 0.00 0.00 62.75 61.69 2jps n ILE 28 Cb 0.60 -0.76 -0.15 0.00 0.00 0.00 0.00 39.64 39.33 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 0.36 0.00 9.51 1.57 -1.99 -3.17 116.57 122.85 2jps h LYS 29 Ca -0.55 -0.61 -0.12 0.00 -1.87 0.00 0.00 60.65 57.49 2jps h LYS 29 Cb 2.12 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 34.64 2jps h LYS 29 CO -0.01 1.26 -0.59 1.88 -0.57 0.00 0.00 179.45 181.42 2jps h TYR 30 N 0.10 0.00 -0.18 -1.35 0.05 -1.98 -3.12 116.97 110.49 2jps h TYR 30 Ca -0.27 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.36 2jps h TYR 30 Cb 2.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.80 2jps h TYR 30 CO 0.09 0.59 -0.52 -0.24 -1.05 0.00 0.00 178.16 177.02 2jps h VAL 31 N 0.00 1.33 -0.59 -2.88 3.04 -1.65 -3.06 116.25 112.43 2jps h VAL 31 Ca -0.01 -1.76 -0.07 0.00 -1.01 0.00 0.00 66.70 63.85 2jps h VAL 31 Cb 1.09 1.76 -0.03 0.00 -2.01 0.00 0.00 31.29 32.10 2jps h VAL 31 CO 0.08 0.54 0.10 0.00 -1.01 0.00 0.00 177.57 177.28 2jps h ALA 32 N 1.05 1.06 -0.43 3.17 0.00 -1.51 -1.62 119.26 120.98 2jps h ALA 32 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jps h ALA 32 Cb 1.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2jps h ALA 32 CO 0.10 0.61 0.27 0.93 0.00 0.00 0.00 179.25 181.15 2jps h GLU 33 N 0.90 0.53 -0.68 0.00 5.08 -1.50 0.38 114.58 119.29 2jps h GLU 33 Ca 0.18 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2jps h GLU 33 Cb 0.39 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2jps h GLU 33 CO 0.01 0.35 0.23 -0.92 -1.00 0.00 0.00 179.01 177.68 2jps h TYR 34 N 0.54 1.08 -0.60 4.33 3.20 -1.43 0.19 116.97 124.28 2jps h TYR 34 Ca 0.16 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2jps h TYR 34 Cb -0.02 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 37.90 2jps h TYR 34 CO -0.06 0.86 0.38 0.82 -1.64 0.00 0.00 178.16 178.51 2jps h ILE 35 N 0.98 1.10 -0.63 1.81 2.04 -0.64 0.12 117.51 122.29 2jps h ILE 35 Ca 0.22 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2jps h ILE 35 Cb 0.27 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2jps h ILE 35 CO -0.01 0.14 0.15 0.58 0.00 0.00 0.00 178.15 179.01 2jps h VAL 36 N 0.75 1.25 -0.72 1.67 2.07 -0.53 0.12 116.25 120.87 2jps h VAL 36 Ca 0.23 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2jps h VAL 36 Cb -0.02 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2jps h VAL 36 CO -0.08 0.35 0.45 0.25 0.02 0.00 0.00 177.57 178.56 2jps h LEU 37 N 0.92 0.75 -0.50 2.57 6.46 -0.05 0.40 115.31 125.86 2jps h LEU 37 Ca 0.20 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 2jps h LEU 37 Cb 0.36 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2jps h LEU 37 CO 0.00 0.52 0.14 -0.07 -0.62 0.00 0.00 178.44 178.41 2jps h LEU 38 N 0.89 0.75 -0.63 2.25 3.38 -0.35 -1.23 115.31 120.37 2jps h LEU 38 Ca 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jps h LEU 38 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jps h LEU 38 CO -0.11 0.78 0.36 0.40 0.09 0.00 0.00 178.44 179.96 2jps h ILE 39 N 0.69 1.19 -0.36 1.22 1.08 -0.01 -2.02 117.51 119.30 2jps h ILE 39 Ca 0.16 -0.46 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 2jps h ILE 39 Cb 0.31 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2jps h ILE 39 CO -0.00 0.20 0.05 0.58 -0.69 0.00 0.00 178.15 178.29 2jps h VAL 40 N 0.85 1.18 -0.78 1.67 2.07 0.07 -2.54 116.25 118.77 2jps h VAL 40 Ca 0.22 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2jps h VAL 40 Cb 0.01 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2jps h VAL 40 CO -0.04 0.24 0.51 0.78 0.02 0.00 0.00 177.57 179.09 2jps h ASN 41 N 0.52 0.79 0.00 0.57 2.35 -0.47 -3.45 115.58 115.89 2jps h ASN 41 Ca 0.12 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2jps h ASN 41 Cb 0.26 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2jps h ASN 41 CO 0.00 0.53 0.00 0.61 -1.65 0.00 0.00 177.43 176.92 2jps n GLY 42 N -1.42 -1.48 0.00 2.83 0.00 -0.96 -5.07 105.19 99.08 2jps n GLY 42 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.17 0.67 3.07 -0.02 0.00 -1.21 -4.98 105.19 101.55 2jps n GLY 43 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.28 2.71 0.42 2.61 -4.23 -1.26 -4.98 115.64 110.63 2jps s THR 44 Ca 0.00 -2.16 0.21 0.00 -1.18 0.00 0.00 61.69 58.56 2jps s THR 44 Cb 0.00 -2.90 0.41 0.00 1.34 0.00 0.00 72.50 71.35 2jps s THR 44 CO 0.00 -0.59 1.77 0.58 -0.54 0.00 0.00 174.62 175.84 2jps h VAL 45 N 6.51 0.50 0.23 2.29 2.07 -1.96 0.96 116.25 126.86 2jps h VAL 45 Ca -0.09 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2jps h VAL 45 Cb 1.03 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jps h VAL 45 CO 0.59 0.06 -0.11 -0.08 0.02 0.00 0.00 177.57 178.05 2jps h GLU 46 N 0.34 -0.30 -0.04 1.57 4.81 -1.98 0.53 114.58 119.50 2jps h GLU 46 Ca 0.59 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.71 2jps h GLU 46 Cb 1.61 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 2jps h GLU 46 CO -0.26 0.05 -0.57 1.03 -0.73 0.00 0.00 179.01 178.53 2jps h SER 47 N -0.71 0.15 -0.10 1.04 0.87 -1.78 -2.01 113.55 111.00 2jps h SER 47 Ca -0.03 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.23 2jps h SER 47 Cb 0.49 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2jps h SER 47 CO 0.05 0.69 -0.76 0.58 -0.53 0.00 0.00 176.83 176.86 2jps h VAL 48 N 0.10 1.29 -0.33 2.23 2.07 0.96 -2.95 116.25 119.62 2jps h VAL 48 Ca -0.00 -1.97 -0.14 0.00 0.82 0.00 0.00 66.70 65.40 2jps h VAL 48 Cb 1.04 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2jps h VAL 48 CO 0.08 0.62 -0.36 0.58 0.02 0.00 0.00 177.57 178.51 2jps h VAL 49 N 0.52 1.28 -0.48 2.57 2.07 0.12 -2.82 116.25 119.51 2jps h VAL 49 Ca -0.05 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 65.97 2jps h VAL 49 Cb 1.38 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2jps h VAL 49 CO 0.15 0.50 0.32 -0.78 0.02 0.00 0.00 177.57 177.78 2jps h ASP 50 N 0.64 0.49 -0.55 0.57 1.82 -1.36 -0.80 116.42 117.24 2jps h ASP 50 Ca 0.06 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.60 2jps h ASP 50 Cb 0.91 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2jps h ASP 50 CO 0.08 0.35 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.71 2jps h GLU 51 N 0.58 1.00 -0.25 0.28 3.07 -1.32 -0.79 114.58 117.15 2jps h GLU 51 Ca 0.19 -0.33 -0.15 0.00 -0.50 0.00 0.00 59.36 58.57 2jps h GLU 51 Cb 0.05 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2jps h GLU 51 CO -0.05 1.01 -0.45 -0.07 -1.40 0.00 0.00 179.01 178.05 2jps h LEU 52 N 0.88 0.82 -1.19 1.33 -0.00 -1.33 -3.05 115.31 112.77 2jps h LEU 52 Ca 0.15 -0.53 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 2jps h LEU 52 Cb 0.57 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 2jps h LEU 52 CO 0.03 1.20 0.38 0.00 -0.00 0.00 0.00 178.44 180.06 2jps h ALA 53 N 0.64 1.38 -0.67 1.53 0.00 -1.05 1.15 119.26 122.25 2jps h ALA 53 Ca 0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jps h ALA 53 Cb 1.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2jps h ALA 53 CO 0.10 0.51 0.44 0.77 0.00 0.00 0.00 179.25 181.08 2jps h SER 54 N 0.95 0.64 0.01 0.00 0.02 -1.03 -2.78 113.55 111.37 2jps h SER 54 Ca 0.24 -0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.79 2jps h SER 54 Cb 0.01 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 2jps h SER 54 CO -0.04 0.43 -2.43 0.18 -1.14 0.00 0.00 176.83 173.83 2jps n LEU 55 N -4.47 2.76 -3.99 5.07 4.77 -0.80 -4.67 117.00 115.66 2jps n LEU 55 Ca 0.09 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 2jps n LEU 55 Cb 0.19 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 2jps n LEU 55 CO 0.34 0.86 0.61 0.49 -1.33 0.00 0.00 177.39 178.36 2jps n PHE 56 N -3.47 3.71 -1.18 -1.77 3.72 0.39 -4.84 117.46 114.02 2jps n PHE 56 Ca -0.46 -3.64 -0.17 0.00 -0.05 0.00 0.00 57.45 53.13 2jps n PHE 56 Cb 0.97 -1.16 0.23 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.80 4.09 -0.08 4.37 2.03 -1.05 -4.34 116.55 123.37 2jps n ASP 57 Ca 0.25 -3.48 -0.14 0.00 0.52 0.00 0.00 54.79 51.94 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 -0.80 1.10 -4.91 1.67 3.41 -1.26 -4.95 113.62 107.87 2jps n SER 58 Ca 0.52 0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.93 2jps n SER 58 Cb 1.55 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 65.55 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 5.09 0.43 -3.33 0.11 -1.26 -5.04 120.40 113.86 2jps s VAL 59 Ca -0.18 -0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.51 2jps s VAL 59 Cb 0.07 -3.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 2jps s VAL 59 CO 0.75 -0.29 1.01 -1.20 -3.33 0.00 0.00 175.10 172.04 2jps n SER 60 N -0.92 1.25 -0.10 3.54 7.64 -1.26 -4.83 113.62 118.94 2jps n SER 60 Ca -0.03 1.03 0.24 0.00 1.01 0.00 0.00 58.87 61.12 2jps n SER 60 Cb 0.54 -1.35 0.69 0.00 -1.01 0.00 0.00 64.21 63.08 2jps n SER 60 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2jps h ARG 61 N 1.51 0.03 -0.78 1.43 -0.00 -1.96 -0.73 114.38 113.88 2jps h ARG 61 Ca -0.45 -0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.59 2jps h ARG 61 Cb 1.34 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.97 31.25 2jps h ARG 61 CO 0.57 0.02 0.51 0.22 -0.00 0.00 0.00 179.97 181.29 2jps h ASP 62 N 0.03 0.76 -0.40 0.08 3.58 -1.98 0.25 116.42 118.74 2jps h ASP 62 Ca 0.35 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.70 2jps h ASP 62 Cb 1.36 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2jps h ASP 62 CO -0.02 0.50 -0.15 0.74 -2.88 0.00 0.00 179.24 177.43 2jps h THR 63 N 0.87 1.28 -0.29 2.25 2.02 -1.46 -0.74 112.91 116.84 2jps h THR 63 Ca 0.33 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.15 2jps h THR 63 Cb 0.20 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2jps h THR 63 CO -0.11 0.42 -0.20 -0.07 0.37 0.00 0.00 175.52 175.93 2jps h LEU 64 N 0.62 0.69 -1.34 2.58 4.07 -1.39 -2.93 115.31 117.61 2jps h LEU 64 Ca 0.10 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 2jps h LEU 64 Cb 0.69 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 2jps h LEU 64 CO 0.05 0.98 0.34 0.00 -1.08 0.00 0.00 178.44 178.73 2jps h ALA 65 N 0.73 1.51 -0.95 1.53 0.00 -0.46 -2.15 119.26 119.47 2jps h ALA 65 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jps h ALA 65 Cb 0.75 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2jps h ALA 65 CO 0.06 0.42 0.62 -0.97 0.00 0.00 0.00 179.25 179.38 2jps h ASN 66 N 0.80 1.05 0.07 0.00 -0.73 -0.94 0.84 115.58 116.66 2jps h ASN 66 Ca 0.21 -0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.20 2jps h ASN 66 Cb -0.02 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 2jps h ASN 66 CO -0.04 0.74 -0.56 0.58 -0.37 0.00 0.00 177.43 177.78 2jps h VAL 67 N 1.23 1.33 -0.12 2.57 2.07 -1.33 -2.70 116.25 119.30 2jps h VAL 67 Ca 0.37 -1.82 -0.14 0.00 0.82 0.00 0.00 66.70 65.92 2jps h VAL 67 Cb -0.05 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2jps h VAL 67 CO -0.10 0.56 -0.54 0.58 0.02 0.00 0.00 177.57 178.09 2jps h VAL 68 N 0.40 1.35 -0.62 2.57 2.07 -1.01 -3.03 116.25 117.97 2jps h VAL 68 Ca 0.01 -1.81 -0.08 0.00 0.82 0.00 0.00 66.70 65.63 2jps h VAL 68 Cb 1.10 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2jps h VAL 68 CO 0.10 0.55 0.06 1.56 0.02 0.00 0.00 177.57 179.86 2jps h GLN 69 N 0.27 1.06 0.00 1.57 4.20 -0.73 -2.50 115.11 118.99 2jps h GLN 69 Ca 0.01 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2jps h GLN 69 Cb 1.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2jps h GLN 69 CO 0.09 1.00 -0.25 0.00 -0.67 0.00 0.00 178.83 179.00 2jps h THR 70 N 0.96 0.99 -0.02 -0.54 1.03 -1.42 -2.38 112.91 111.53 2jps h THR 70 Ca 0.18 -0.93 -0.19 0.00 -0.01 0.00 0.00 66.41 65.47 2jps h THR 70 Cb 0.48 1.53 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 2jps h THR 70 CO 0.02 0.25 -0.81 0.00 -0.01 0.00 0.00 175.52 174.96 2jps h ALA 71 N 1.75 0.59 -0.26 0.00 0.00 -1.36 -2.06 119.26 117.92 2jps h ALA 71 Ca -0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 2jps h ALA 71 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jps h ALA 71 CO 0.03 0.87 -0.08 0.74 0.00 0.00 0.00 179.25 180.81 2jps h PHE 72 N 0.13 0.58 -0.80 0.00 -1.00 -1.03 -2.39 116.94 112.43 2jps h PHE 72 Ca -0.04 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 2jps h PHE 72 Cb 1.41 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.80 2jps h PHE 72 CO 0.03 0.74 0.35 0.74 -1.61 0.00 0.00 178.31 178.56 2jps h PHE 73 N 0.25 1.18 -0.84 -0.55 0.04 -1.45 -2.27 116.94 113.31 2jps h PHE 73 Ca 0.06 -0.07 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2jps h PHE 73 Cb 0.56 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 38.30 2jps h PHE 73 CO 0.05 0.88 0.55 0.00 -0.60 0.00 0.00 178.31 179.19 2jps h ALA 74 N 1.19 1.57 -0.93 2.45 0.00 -1.19 -1.50 119.26 120.86 2jps h ALA 74 Ca 0.27 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2jps h ALA 74 Cb 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2jps h ALA 74 CO -0.03 0.30 0.57 -0.07 0.00 0.00 0.00 179.25 180.03 2jps h LEU 75 N 0.94 0.86 -0.32 0.00 -0.00 -0.89 0.56 115.31 116.46 2jps h LEU 75 Ca 0.36 0.03 -0.14 0.00 -0.00 0.00 0.00 57.88 58.13 2jps h LEU 75 Cb 0.20 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2jps h LEU 75 CO -0.13 0.51 -0.34 -0.08 -0.00 0.00 0.00 178.44 178.41 2jps h GLU 76 N 0.97 0.79 -0.54 1.13 4.81 -1.30 -1.58 114.58 118.86 2jps h GLU 76 Ca 0.43 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2jps h GLU 76 Cb 0.32 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2jps h GLU 76 CO -0.22 1.05 -0.02 0.00 -0.73 0.00 0.00 179.01 179.09 2jps h ALA 77 N 0.72 0.94 -0.51 2.92 0.00 -0.69 -2.50 119.26 120.14 2jps h ALA 77 Ca 0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 77 Cb 0.92 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2jps h ALA 77 CO 0.08 0.63 -0.06 -0.07 0.00 0.00 0.00 179.25 179.83 2jps h LEU 78 N 0.87 0.95 -1.73 0.00 3.38 0.17 0.13 115.31 119.08 2jps h LEU 78 Ca 0.16 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2jps h LEU 78 Cb 0.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jps h LEU 78 CO 0.03 1.06 -0.16 1.56 0.09 0.00 0.00 178.44 181.01 2jps h GLN 79 N 0.81 0.00 0.11 1.13 4.20 -1.09 -3.14 115.11 117.14 2jps h GLN 79 Ca 0.14 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.49 2jps h GLN 79 Cb 0.61 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2jps h GLN 79 CO 0.04 0.16 -2.00 0.94 -0.67 0.00 0.00 178.83 177.30 2jps n GLN 80 N -4.16 0.75 0.00 1.46 7.27 -0.96 -5.04 117.38 116.70 2jps n GLN 80 Ca -0.02 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2jps n GLN 80 Cb 0.24 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.19 2jps n GLN 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jps n GLY 81 N 1.99 0.54 3.69 1.69 0.00 0.42 -5.11 105.19 108.40 2jps n GLY 81 Ca -0.33 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 2.09 -0.07 1.61 0.41 -0.91 -4.98 118.70 116.86 2jps s GLU 82 Ca 0.00 -2.30 0.04 0.00 -0.41 0.00 0.00 54.97 52.30 2jps s GLU 82 Cb 0.00 -1.37 -0.02 0.00 -1.78 0.00 0.00 34.13 30.96 2jps s GLU 82 CO 0.00 -0.32 -0.19 -1.12 -0.49 0.00 0.00 175.26 173.14 2jps s SER 83 N -3.79 3.62 -0.19 -0.19 0.01 -1.26 -4.92 113.70 106.97 2jps s SER 83 Ca 0.14 -0.35 0.14 0.00 1.31 0.00 0.00 55.95 57.19 2jps s SER 83 Cb 0.03 -0.97 -0.23 0.00 0.21 0.00 0.00 66.02 65.06 2jps s SER 83 CO 0.08 0.27 0.08 0.00 0.41 0.00 0.00 173.24 174.08 2jps n ALA 84 N 2.80 1.47 -0.33 1.44 0.00 -1.26 -4.41 120.51 120.22 2jps n ALA 84 Ca -0.17 -1.22 0.03 0.00 0.00 0.00 0.00 53.44 52.08 2jps n ALA 84 Cb 0.52 -0.25 0.21 0.00 0.00 0.00 0.00 19.45 19.93 2jps n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jps h GLU 85 N 0.00 1.08 -0.73 0.00 5.08 -1.95 -1.61 114.58 116.45 2jps h GLU 85 Ca -0.53 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 57.86 2jps h GLU 85 Cb 2.16 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 2jps h GLU 85 CO 0.01 0.71 0.48 -0.91 -1.00 0.00 0.00 179.01 178.31 2jps h ASN 86 N 1.11 0.58 -0.29 1.42 4.21 -2.02 -0.72 115.58 119.88 2jps h ASN 86 Ca 0.40 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.86 2jps h ASN 86 Cb 0.15 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2jps h ASN 86 CO -0.15 0.36 -0.01 0.40 -1.29 0.00 0.00 177.43 176.73 2jps h ILE 87 N 0.65 1.22 -0.80 2.81 1.08 -1.52 -2.64 117.51 118.31 2jps h ILE 87 Ca 0.33 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2jps h ILE 87 Cb 0.43 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 2jps h ILE 87 CO -0.11 0.31 0.52 0.58 -0.69 0.00 0.00 178.15 178.76 2jps h VAL 88 N 0.60 1.21 -0.88 1.67 2.07 -1.11 -1.95 116.25 117.86 2jps h VAL 88 Ca 0.12 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2jps h VAL 88 Cb 0.40 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 2jps h VAL 88 CO 0.02 0.21 0.52 0.77 0.02 0.00 0.00 177.57 179.11 2jps h SER 89 N 1.10 0.76 -0.03 0.57 4.64 -1.40 0.24 113.55 119.43 2jps h SER 89 Ca 0.29 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.54 2jps h SER 89 Cb -0.10 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2jps h SER 89 CO -0.06 0.43 -0.36 0.50 -0.87 0.00 0.00 176.83 176.46 2jps h LYS 90 N 0.86 0.52 -0.31 4.77 1.63 -1.42 -2.66 116.57 119.97 2jps h LYS 90 Ca 0.43 -0.24 -0.16 0.00 -0.85 0.00 0.00 60.65 59.83 2jps h LYS 90 Cb 0.39 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2jps h LYS 90 CO -0.25 0.81 -0.44 0.82 -3.45 0.00 0.00 179.45 176.93 2jps h ILE 91 N 0.44 1.29 -0.80 2.00 1.08 -0.53 -0.56 117.51 120.42 2jps h ILE 91 Ca 0.05 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 62.85 2jps h ILE 91 Cb 0.83 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 2jps h ILE 91 CO 0.07 0.53 0.37 0.03 -0.69 0.00 0.00 178.15 178.46 2jps h ARG 92 N 0.63 1.16 -0.14 2.37 2.47 -0.49 0.83 114.38 121.21 2jps h ARG 92 Ca 0.04 -0.18 -0.21 0.00 -1.26 0.00 0.00 59.98 58.38 2jps h ARG 92 Cb 1.01 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 29.14 2jps h ARG 92 CO 0.10 0.90 -0.72 1.98 0.56 0.00 0.00 179.97 182.79 2jps h MET 93 N 1.14 0.73 -0.38 0.04 4.05 -1.36 -2.02 114.93 117.13 2jps h MET 93 Ca 0.27 -0.60 -0.13 0.00 -0.28 0.00 0.00 59.70 58.96 2jps h MET 93 Cb 0.14 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2jps h MET 93 CO -0.03 1.21 -0.29 0.52 0.23 0.00 0.00 176.91 178.55 2jps h MET 94 N 0.44 0.81 -0.53 0.39 2.86 -0.77 -2.68 114.93 115.45 2jps h MET 94 Ca -0.05 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.13 2jps h MET 94 Cb 1.35 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 2jps h MET 94 CO 0.15 1.00 -0.02 -0.91 1.06 0.00 0.00 176.91 178.19 2jps h ASN 95 N 0.69 0.89 -0.76 1.22 2.35 0.70 -2.74 115.58 117.92 2jps h ASN 95 Ca 0.08 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2jps h ASN 95 Cb 0.83 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2jps h ASN 95 CO 0.07 0.96 0.36 0.00 -1.65 0.00 0.00 177.43 177.17 2jps h ALA 96 N 1.13 0.98 -0.92 -0.83 0.00 -1.20 -2.54 119.26 115.89 2jps h ALA 96 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jps h ALA 96 Cb 0.52 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2jps h ALA 96 CO 0.03 0.55 0.53 0.37 0.00 0.00 0.00 179.25 180.73 2jps h GLN 97 N 1.08 1.26 -0.56 0.00 4.15 -1.24 0.05 115.11 119.85 2jps h GLN 97 Ca 0.26 -0.13 0.08 0.00 0.77 0.00 0.00 58.65 59.63 2jps h GLN 97 Cb 0.13 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 2jps h GLN 97 CO -0.03 0.90 0.37 1.03 -1.93 0.00 0.00 178.83 179.17 2jps h SER 98 N 1.27 0.38 0.19 -0.69 0.87 -1.17 -2.71 113.55 111.69 2jps h SER 98 Ca 0.33 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.54 2jps h SER 98 Cb -0.02 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2jps h SER 98 CO -0.06 0.24 -1.85 -0.07 -0.53 0.00 0.00 176.83 174.56 2jps h LEU 99 N 0.43 0.49 0.00 2.23 3.38 -1.29 -3.49 115.31 117.06 2jps h LEU 99 Ca 0.25 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2jps h LEU 99 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jps h LEU 99 CO -0.07 1.77 0.00 0.61 0.09 0.00 0.00 178.44 180.84 2jps n GLY 100 N 1.90 4.28 3.97 0.83 0.00 -0.06 -4.92 105.19 111.19 2jps n GLY 100 Ca -0.27 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 2jps n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jps n GLN 101 N 0.00 -4.92 0.00 1.61 7.27 -1.19 -4.46 117.38 115.69 2jps n GLN 101 Ca 0.00 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.61 2jps n GLN 101 Cb 0.00 -5.35 0.00 0.00 2.41 0.00 0.00 30.24 27.30 2jps n GLN 101 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2jps n SER 102 N -2.82 0.00 -4.61 1.69 3.41 -1.26 -5.07 113.62 104.95 2jps n SER 102 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.24 2jps n SER 102 Cb 0.53 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.42 2jps n SER 102 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jps s ASP 103 N -1.94 6.29 0.10 4.04 1.11 -1.26 -4.93 116.67 120.07 2jps s ASP 103 Ca 0.00 0.33 0.00 0.00 0.18 0.00 0.00 52.55 53.06 2jps s ASP 103 Cb 0.00 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.77 2jps s ASP 103 CO 0.00 -0.18 0.00 -0.38 1.18 0.00 0.00 175.17 175.79 2jps n ILE 104 N 5.02 0.99 -0.09 0.77 5.41 -1.26 -4.88 119.36 125.32 2jps n ILE 104 Ca -0.08 0.33 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2jps n ILE 104 Cb 0.51 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55