#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 -0.33 -2.27 6.12 3.41 -1.26 -4.96 113.62 114.33 2jps n SER 2 Ca 0.00 0.38 -0.17 0.00 -0.26 0.00 0.00 58.87 58.82 2jps n SER 2 Cb 0.00 0.48 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -3.22 3.06 -0.18 4.33 1.13 -1.26 -4.85 117.38 116.40 2jps n GLN 3 Ca 0.00 -3.99 0.05 0.00 -1.94 0.00 0.00 57.00 51.13 2jps n GLN 3 Cb 0.00 -2.08 0.34 0.00 0.11 0.00 0.00 30.24 28.61 2jps n GLN 3 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2jps h GLU 4 N 2.32 0.76 -0.88 -1.09 4.11 -1.99 -1.42 114.58 116.40 2jps h GLU 4 Ca 0.22 -0.05 0.10 0.00 0.07 0.00 0.00 59.36 59.71 2jps h GLU 4 Cb 1.44 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 2jps h GLU 4 CO 0.60 0.51 0.57 -0.56 0.07 0.00 0.00 179.01 180.19 2jps h GLN 5 N 0.79 0.82 -0.13 1.06 3.07 -2.00 0.30 115.11 119.02 2jps h GLN 5 Ca 0.30 -0.05 -0.23 0.00 0.09 0.00 0.00 58.65 58.76 2jps h GLN 5 Cb 0.18 -0.18 0.01 0.00 0.08 0.00 0.00 27.48 27.57 2jps h GLN 5 CO -0.09 0.54 -0.81 1.88 0.09 0.00 0.00 178.83 180.44 2jps h TYR 6 N 0.84 1.04 -0.79 0.06 -1.99 -1.68 -2.61 116.97 111.84 2jps h TYR 6 Ca 0.41 -0.47 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 2jps h TYR 6 Cb 0.45 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 2jps h TYR 6 CO -0.00 1.30 0.45 1.15 -0.00 0.00 0.00 178.16 181.06 2jps h THR 7 N 0.51 1.23 -0.55 -2.88 2.02 -0.47 0.83 112.91 113.60 2jps h THR 7 Ca -0.06 -0.54 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 2jps h THR 7 Cb 1.44 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2jps h THR 7 CO 0.16 0.25 -0.02 -0.08 0.37 0.00 0.00 175.52 176.20 2jps h GLU 8 N 1.08 0.98 -0.09 6.66 4.81 -0.47 0.28 114.58 127.84 2jps h GLU 8 Ca 0.28 -0.32 -0.24 0.00 -0.13 0.00 0.00 59.36 58.94 2jps h GLU 8 Cb 0.00 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.31 2jps h GLU 8 CO -0.05 0.99 -0.90 -0.91 -0.73 0.00 0.00 179.01 177.42 2jps h ASN 9 N 0.86 0.94 -0.31 1.04 4.21 -1.10 -3.15 115.58 118.07 2jps h ASN 9 Ca 0.15 -0.67 -0.08 0.00 1.21 0.00 0.00 56.30 56.91 2jps h ASN 9 Cb 0.56 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 2jps h ASN 9 CO 0.03 1.48 -0.07 0.25 -1.29 0.00 0.00 177.43 177.83 2jps h LEU 10 N 0.48 0.69 -1.50 1.61 5.85 0.80 -2.60 115.31 120.64 2jps h LEU 10 Ca -0.09 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2jps h LEU 10 Cb 1.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2jps h LEU 10 CO 0.18 0.80 0.38 0.50 -0.34 0.00 0.00 178.44 179.96 2jps h LYS 11 N 0.65 0.63 -0.05 1.25 3.64 -0.41 0.12 116.57 122.41 2jps h LYS 11 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2jps h LYS 11 Cb 0.51 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2jps h LYS 11 CO 0.03 0.42 -0.04 0.28 -2.27 0.00 0.00 179.45 177.87 2jps h VAL 12 N 0.65 1.35 -0.56 2.00 2.07 -1.43 -1.97 116.25 118.36 2jps h VAL 12 Ca 0.23 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 2jps h VAL 12 Cb 0.10 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2jps h VAL 12 CO -0.06 0.31 0.15 0.40 0.02 0.00 0.00 177.57 178.38 2jps h ILE 13 N -0.30 1.22 -0.77 4.57 2.04 -1.31 -2.10 117.51 120.86 2jps h ILE 13 Ca 0.01 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2jps h ILE 13 Cb 0.51 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2jps h ILE 13 CO 0.01 0.30 0.33 0.58 0.00 0.00 0.00 178.15 179.37 2jps h VAL 14 N 0.82 1.26 -0.13 1.67 2.07 -0.70 -2.30 116.25 118.93 2jps h VAL 14 Ca 0.18 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2jps h VAL 14 Cb 0.28 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2jps h VAL 14 CO -0.00 0.32 -0.26 0.00 0.02 0.00 0.00 177.57 177.65 2jps h ALA 15 N 1.17 1.32 -0.91 1.67 0.00 -0.87 -2.81 119.26 118.84 2jps h ALA 15 Ca 0.26 -0.30 0.19 0.00 0.00 0.00 0.00 54.91 55.06 2jps h ALA 15 Cb 0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2jps h ALA 15 CO -0.02 0.47 0.59 1.49 0.00 0.00 0.00 179.25 181.78 2jps h GLU 16 N 0.22 0.45 0.10 0.00 4.81 -0.79 0.60 114.58 119.98 2jps h GLU 16 Ca 0.03 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.99 2jps h GLU 16 Cb 0.58 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2jps h GLU 16 CO 0.04 0.30 -1.26 0.87 -0.73 0.00 0.00 179.01 178.23 2jps h LYS 17 N 0.47 0.22 0.25 1.92 1.79 -1.56 -2.80 116.57 116.86 2jps h LYS 17 Ca 0.48 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2jps h LYS 17 Cb 1.09 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2jps h LYS 17 CO -0.20 1.18 -0.12 -0.07 -1.08 0.00 0.00 179.45 179.16 2jps h LEU 18 N -0.41 -0.28 -1.96 2.94 3.38 -1.20 -0.27 115.31 117.51 2jps h LEU 18 Ca -0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2jps h LEU 18 Cb 1.67 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 2jps h LEU 18 CO 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 178.44 178.44 2jps h ALA 19 N 0.22 1.80 -0.00 1.53 0.00 0.02 -2.50 119.26 120.33 2jps h ALA 19 Ca -0.03 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2jps h ALA 19 Cb 0.37 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jps h ALA 19 CO 0.06 0.08 -0.96 0.78 0.00 0.00 0.00 179.25 179.20 2jps h GLY 20 N 0.21 0.53 -5.02 0.00 0.00 -1.17 -3.45 103.07 94.16 2jps h GLY 20 Ca -0.00 -0.93 -0.62 0.00 0.00 0.00 0.00 47.33 45.79 2jps h GLY 20 CO 0.01 0.82 0.59 1.39 0.00 0.00 0.00 176.54 179.35 2jps n ILE 21 N -3.77 0.36 0.27 2.60 5.41 -0.15 -4.86 119.36 119.23 2jps n ILE 21 Ca -0.08 -0.09 0.16 0.00 1.00 0.00 0.00 62.75 63.74 2jps n ILE 21 Cb 0.84 -1.25 0.71 0.00 -0.71 0.00 0.00 39.64 39.24 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 4.81 0.00 -0.87 0.38 0.13 -1.87 -2.96 132.00 131.62 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 0.06 0.51 0.09 -0.23 0.00 0.00 178.00 179.24 2jps n ASN 23 N -3.23 4.33 -3.72 1.44 3.02 -1.26 -4.80 115.26 111.04 2jps n ASN 23 Ca -0.00 -3.69 -0.30 0.00 -0.03 0.00 0.00 54.58 50.57 2jps n ASN 23 Cb 0.29 -0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 38.52 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 1.99 -0.20 3.10 2.19 -1.12 -4.95 117.98 115.58 2jps s PHE 24 Ca 0.56 -2.42 -0.08 0.00 0.33 0.00 0.00 56.93 55.31 2jps s PHE 24 Cb 0.47 -1.90 -0.09 0.00 -1.31 0.00 0.00 43.02 40.19 2jps s PHE 24 CO 0.06 -0.78 -0.24 0.09 1.83 0.00 0.00 175.22 176.18 2jps n ASN 25 N 3.57 1.55 -4.94 6.13 4.13 -1.26 -4.77 115.26 119.67 2jps n ASN 25 Ca 0.08 0.19 -0.19 0.00 1.68 0.00 0.00 54.58 56.34 2jps n ASN 25 Cb 0.34 -0.54 -0.01 0.00 -1.54 0.00 0.00 39.78 38.03 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jps s GLU 26 N -2.36 2.82 -1.49 3.52 2.02 -1.26 -4.52 118.70 117.42 2jps s GLU 26 Ca -0.27 -1.26 -0.12 0.00 0.02 0.00 0.00 54.97 53.34 2jps s GLU 26 Cb 0.10 -2.62 0.08 0.00 0.10 0.00 0.00 34.13 31.79 2jps s GLU 26 CO 0.36 -0.07 0.84 -0.25 0.02 0.00 0.00 175.26 176.15 2jps n ASP 27 N -1.61 -4.72 -0.10 -0.19 8.00 -1.26 -4.87 116.55 111.80 2jps n ASP 27 Ca 0.02 -0.65 -0.12 0.00 0.71 0.00 0.00 54.79 54.76 2jps n ASP 27 Cb 0.60 -3.79 -0.14 0.00 -0.02 0.00 0.00 41.12 37.76 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jps n ILE 28 N -4.50 1.37 0.09 0.53 0.00 -1.26 -3.49 119.36 112.09 2jps n ILE 28 Ca 0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 62.75 61.82 2jps n ILE 28 Cb 0.54 -0.74 -0.15 0.00 0.00 0.00 0.00 39.64 39.29 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 0.36 0.00 9.51 1.63 -1.93 -3.11 116.57 123.02 2jps h LYS 29 Ca -0.54 -0.61 -0.13 0.00 -0.85 0.00 0.00 60.65 58.52 2jps h LYS 29 Cb 2.11 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 33.95 2jps h LYS 29 CO -0.00 1.26 -0.60 1.88 -3.45 0.00 0.00 179.45 178.53 2jps h TYR 30 N 0.10 0.00 -0.17 1.91 0.05 -1.98 -3.01 116.97 113.87 2jps h TYR 30 Ca -0.26 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.35 2jps h TYR 30 Cb 2.07 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.81 2jps h TYR 30 CO 0.09 0.60 -0.60 -0.24 -1.05 0.00 0.00 178.16 176.96 2jps h VAL 31 N 0.00 1.32 -0.60 -2.88 3.04 -1.64 -2.99 116.25 112.50 2jps h VAL 31 Ca -0.01 -1.86 -0.10 0.00 -1.01 0.00 0.00 66.70 63.72 2jps h VAL 31 Cb 1.13 1.83 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 2jps h VAL 31 CO 0.08 0.58 -0.02 0.00 -1.01 0.00 0.00 177.57 177.19 2jps h ALA 32 N 0.92 0.83 -0.74 3.17 0.00 -1.50 -1.70 119.26 120.24 2jps h ALA 32 Ca -0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 32 Cb 1.15 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2jps h ALA 32 CO 0.11 0.67 0.46 0.93 0.00 0.00 0.00 179.25 181.42 2jps h GLU 33 N 0.97 0.85 -0.58 0.00 5.08 -1.48 -0.07 114.58 119.35 2jps h GLU 33 Ca 0.17 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2jps h GLU 33 Cb 0.58 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jps h GLU 33 CO 0.03 0.56 0.03 -0.92 -1.00 0.00 0.00 179.01 177.71 2jps h TYR 34 N 0.87 1.08 -0.70 4.33 3.20 -1.36 -1.17 116.97 123.22 2jps h TYR 34 Ca 0.30 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 62.03 2jps h TYR 34 Cb 0.07 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.00 2jps h TYR 34 CO -0.04 0.96 0.44 0.82 -1.64 0.00 0.00 178.16 178.69 2jps h ILE 35 N 0.89 1.08 -0.67 1.81 2.04 -0.36 0.54 117.51 122.85 2jps h ILE 35 Ca 0.17 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2jps h ILE 35 Cb 0.51 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2jps h ILE 35 CO 0.02 0.15 0.18 0.58 0.00 0.00 0.00 178.15 179.09 2jps h VAL 36 N 0.85 1.26 -0.68 1.67 2.07 -0.73 0.25 116.25 120.94 2jps h VAL 36 Ca 0.29 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2jps h VAL 36 Cb 0.04 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2jps h VAL 36 CO -0.12 0.36 0.44 0.25 0.02 0.00 0.00 177.57 178.52 2jps h LEU 37 N 1.00 0.76 -0.38 2.57 5.85 -0.16 0.62 115.31 125.57 2jps h LEU 37 Ca 0.21 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2jps h LEU 37 Cb 0.35 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2jps h LEU 37 CO -0.00 0.54 0.15 -0.07 -0.34 0.00 0.00 178.44 178.72 2jps h LEU 38 N 0.90 0.53 -0.92 2.25 3.38 -0.48 0.50 115.31 121.47 2jps h LEU 38 Ca 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jps h LEU 38 Cb -0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2jps h LEU 38 CO -0.07 0.56 0.57 0.40 0.09 0.00 0.00 178.44 180.00 2jps h ILE 39 N 0.47 1.25 0.00 1.22 1.08 -0.19 0.59 117.51 121.93 2jps h ILE 39 Ca 0.13 -0.51 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2jps h ILE 39 Cb 0.20 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 33.88 2jps h ILE 39 CO -0.01 0.25 -0.06 0.58 -0.69 0.00 0.00 178.15 178.22 2jps h VAL 40 N 1.26 0.13 0.00 1.67 2.07 0.78 -3.30 116.25 118.85 2jps h VAL 40 Ca 0.33 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jps h VAL 40 Cb -0.09 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2jps h VAL 40 CO -0.07 0.06 -1.49 -0.46 0.02 0.00 0.00 177.57 175.64 2jps n ASN 41 N -3.13 0.81 0.00 0.57 0.23 0.17 -4.94 115.26 108.96 2jps n ASN 41 Ca 0.02 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.75 2jps n ASN 41 Cb 0.47 1.54 0.00 0.00 -2.08 0.00 0.00 39.78 39.72 2jps n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jps n GLY 42 N 1.44 -0.27 0.58 4.83 0.00 0.20 -5.05 105.19 106.92 2jps n GLY 42 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.19 1.41 3.02 -0.02 0.00 -1.13 -4.97 105.19 104.69 2jps n GLY 43 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.06 1.60 0.51 2.61 -4.23 -1.26 -5.01 115.64 107.80 2jps s THR 44 Ca 0.00 -0.66 0.29 0.00 -1.18 0.00 0.00 61.69 60.14 2jps s THR 44 Cb 0.00 -1.50 0.46 0.00 1.34 0.00 0.00 72.50 72.80 2jps s THR 44 CO 0.00 0.45 1.88 0.58 -0.54 0.00 0.00 174.62 176.99 2jps h VAL 45 N 6.06 0.57 0.35 2.29 2.07 -1.96 0.50 116.25 126.12 2jps h VAL 45 Ca -0.38 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2jps h VAL 45 Cb 1.13 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2jps h VAL 45 CO 0.53 0.02 -0.17 -0.33 0.02 0.00 0.00 177.57 177.64 2jps h GLU 46 N 0.09 -0.46 -0.45 1.57 5.08 -1.98 0.20 114.58 118.63 2jps h GLU 46 Ca 0.44 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 2jps h GLU 46 Cb 1.62 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 2jps h GLU 46 CO -0.05 -0.30 0.16 0.66 -1.00 0.00 0.00 179.01 178.48 2jps h SER 47 N -1.05 0.58 -0.10 1.42 4.64 -1.92 0.24 113.55 117.38 2jps h SER 47 Ca -0.05 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2jps h SER 47 Cb 0.36 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2jps h SER 47 CO 0.08 0.55 -0.05 0.58 -0.87 0.00 0.00 176.83 177.12 2jps h VAL 48 N 0.64 1.32 -0.35 0.95 2.07 -0.06 -2.26 116.25 118.56 2jps h VAL 48 Ca 0.15 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 2jps h VAL 48 Cb 0.16 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2jps h VAL 48 CO -0.01 0.30 -0.23 0.58 0.02 0.00 0.00 177.57 178.23 2jps h VAL 49 N -0.16 1.27 -0.45 2.57 2.07 -0.32 -2.68 116.25 118.54 2jps h VAL 49 Ca 0.02 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2jps h VAL 49 Cb 0.50 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2jps h VAL 49 CO 0.01 0.43 0.28 -0.78 0.02 0.00 0.00 177.57 177.54 2jps h ASP 50 N 0.60 0.53 -0.40 0.57 3.58 -0.45 0.80 116.42 121.65 2jps h ASP 50 Ca 0.09 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.36 2jps h ASP 50 Cb 0.71 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2jps h ASP 50 CO 0.05 0.40 -0.34 -0.33 -2.88 0.00 0.00 179.24 176.15 2jps h GLU 51 N 0.62 0.94 -0.23 0.28 3.07 -1.07 -0.86 114.58 117.33 2jps h GLU 51 Ca 0.16 -0.47 -0.19 0.00 -0.50 0.00 0.00 59.36 58.36 2jps h GLU 51 Cb -0.04 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2jps h GLU 51 CO -0.03 1.13 -0.59 -0.07 -1.40 0.00 0.00 179.01 178.05 2jps h LEU 52 N 0.76 0.91 -0.99 1.33 -0.00 -1.29 -3.09 115.31 112.94 2jps h LEU 52 Ca 0.07 -0.57 -0.03 0.00 -0.00 0.00 0.00 57.88 57.35 2jps h LEU 52 Cb 0.93 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 2jps h LEU 52 CO 0.09 1.32 0.33 0.00 -0.00 0.00 0.00 178.44 180.18 2jps h ALA 53 N 0.62 1.21 -0.49 1.53 0.00 -0.80 1.06 119.26 122.40 2jps h ALA 53 Ca -0.01 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jps h ALA 53 Cb 1.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2jps h ALA 53 CO 0.13 0.59 0.33 1.03 0.00 0.00 0.00 179.25 181.33 2jps h SER 54 N 1.04 0.37 0.00 0.00 0.87 -1.07 -2.93 113.55 111.82 2jps h SER 54 Ca 0.25 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.41 2jps h SER 54 Cb 0.13 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 2jps h SER 54 CO -0.03 0.24 -2.46 0.18 -0.53 0.00 0.00 176.83 174.23 2jps n LEU 55 N -4.47 2.69 -4.07 2.23 4.77 -0.83 -4.71 117.00 112.61 2jps n LEU 55 Ca 0.07 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 2jps n LEU 55 Cb 0.25 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 2jps n LEU 55 CO 0.34 0.83 0.62 0.49 -1.33 0.00 0.00 177.39 178.34 2jps n PHE 56 N -3.50 4.00 -1.17 -1.77 3.72 0.36 -4.85 117.46 114.25 2jps n PHE 56 Ca -0.47 -3.73 -0.17 0.00 -0.05 0.00 0.00 57.45 53.03 2jps n PHE 56 Cb 0.95 -1.25 0.22 0.00 -0.94 0.00 0.00 39.48 38.46 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 2.01 4.10 -0.09 4.37 5.68 -1.11 -4.39 116.55 127.12 2jps n ASP 57 Ca 0.24 -3.48 -0.17 0.00 -0.50 0.00 0.00 54.79 50.88 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -1.14 0.00 0.00 41.12 39.41 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2jps n SER 58 N -0.81 1.64 -4.89 -1.12 7.64 -1.26 -4.96 113.62 109.85 2jps n SER 58 Ca 0.53 -0.02 -0.29 0.00 1.01 0.00 0.00 58.87 60.10 2jps n SER 58 Cb 1.57 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 64.49 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 -2.53 4.91 0.46 0.44 0.11 -1.26 -5.03 120.40 117.50 2jps s VAL 59 Ca -0.27 0.28 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 2jps s VAL 59 Cb 0.08 -3.76 -0.09 0.00 -1.53 0.00 0.00 36.38 31.08 2jps s VAL 59 CO 0.68 -0.49 1.06 -1.20 -3.33 0.00 0.00 175.10 171.82 2jps n SER 60 N -1.33 1.48 -0.18 3.54 7.64 -1.26 -4.85 113.62 118.67 2jps n SER 60 Ca 0.00 1.01 0.19 0.00 1.01 0.00 0.00 58.87 61.08 2jps n SER 60 Cb 0.54 -1.40 0.56 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.47 0.30 -0.80 1.43 3.08 -1.95 -0.80 114.38 117.11 2jps h ARG 61 Ca -0.46 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.67 2jps h ARG 61 Cb 1.33 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 2jps h ARG 61 CO 0.56 0.20 0.52 -0.44 -1.07 0.00 0.00 179.97 179.75 2jps h ASP 62 N 0.31 0.66 -0.39 7.04 3.32 -1.98 0.19 116.42 125.56 2jps h ASP 62 Ca 0.40 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.38 2jps h ASP 62 Cb 1.10 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2jps h ASP 62 CO -0.11 0.39 -0.12 0.74 -1.72 0.00 0.00 179.24 178.41 2jps h THR 63 N 0.72 1.28 -0.31 0.35 2.02 -1.48 -0.56 112.91 114.93 2jps h THR 63 Ca 0.37 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 2jps h THR 63 Cb 0.47 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2jps h THR 63 CO -0.14 0.41 -0.17 -0.07 0.37 0.00 0.00 175.52 175.91 2jps h LEU 64 N 0.58 0.69 -1.27 2.58 4.07 -1.32 -2.92 115.31 117.71 2jps h LEU 64 Ca 0.10 -0.42 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 2jps h LEU 64 Cb 0.65 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 2jps h LEU 64 CO 0.04 0.95 0.33 0.00 -1.08 0.00 0.00 178.44 178.69 2jps h ALA 65 N 0.75 1.44 -0.96 1.53 0.00 -0.58 -2.22 119.26 119.23 2jps h ALA 65 Ca 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jps h ALA 65 Cb 0.71 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2jps h ALA 65 CO 0.05 0.46 0.63 -0.91 0.00 0.00 0.00 179.25 179.49 2jps h ASN 66 N 0.85 1.10 0.00 0.00 4.21 -0.91 0.20 115.58 121.03 2jps h ASN 66 Ca 0.22 -0.03 -0.18 0.00 1.21 0.00 0.00 56.30 57.52 2jps h ASN 66 Cb 0.02 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 36.94 2jps h ASN 66 CO -0.04 0.80 -0.61 0.58 -1.29 0.00 0.00 177.43 176.87 2jps h VAL 67 N 1.30 1.32 -0.26 2.81 2.07 -1.31 -2.45 116.25 119.73 2jps h VAL 67 Ca 0.35 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.86 2jps h VAL 67 Cb -0.15 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jps h VAL 67 CO -0.08 0.58 -0.43 0.58 0.02 0.00 0.00 177.57 178.24 2jps h VAL 68 N 0.45 1.30 -0.57 2.57 2.07 -0.87 -2.86 116.25 118.34 2jps h VAL 68 Ca -0.00 -1.62 -0.11 0.00 0.82 0.00 0.00 66.70 65.79 2jps h VAL 68 Cb 1.17 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2jps h VAL 68 CO 0.12 0.51 -0.06 -0.61 0.02 0.00 0.00 177.57 177.55 2jps h GLN 69 N 0.52 1.04 0.00 1.57 4.15 -0.54 -2.79 115.11 119.06 2jps h GLN 69 Ca 0.04 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.03 2jps h GLN 69 Cb 0.96 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 2jps h GLN 69 CO 0.09 1.05 -0.34 0.00 -1.93 0.00 0.00 178.83 177.70 2jps h THR 70 N 0.94 1.19 -0.45 2.39 1.03 -1.38 -2.79 112.91 113.84 2jps h THR 70 Ca 0.16 -1.18 -0.14 0.00 -0.01 0.00 0.00 66.41 65.24 2jps h THR 70 Cb 0.62 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.33 2jps h THR 70 CO 0.04 0.33 -0.26 0.00 -0.01 0.00 0.00 175.52 175.62 2jps h ALA 71 N 1.66 0.69 -0.40 0.00 0.00 -1.26 -2.10 119.26 117.84 2jps h ALA 71 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jps h ALA 71 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jps h ALA 71 CO 0.04 0.67 0.24 0.74 0.00 0.00 0.00 179.25 180.95 2jps h PHE 72 N 0.81 0.52 -0.90 0.00 0.04 -1.31 -1.91 116.94 114.20 2jps h PHE 72 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 2jps h PHE 72 Cb 0.84 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 2jps h PHE 72 CO 0.05 0.37 0.55 0.74 -0.60 0.00 0.00 178.31 179.42 2jps h PHE 73 N 0.53 1.18 -0.85 -0.55 0.04 -1.42 -2.23 116.94 113.63 2jps h PHE 73 Ca 0.14 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.93 2jps h PHE 73 Cb -0.01 -0.39 -0.04 0.00 2.20 0.00 0.00 35.95 37.71 2jps h PHE 73 CO -0.04 0.78 0.56 0.00 -0.60 0.00 0.00 178.31 179.01 2jps h ALA 74 N 1.37 1.10 -0.95 2.45 0.00 -0.72 -1.65 119.26 120.86 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 -0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.33 2jps h ALA 74 CO -0.06 0.46 0.60 -0.07 0.00 0.00 0.00 179.25 180.18 2jps h LEU 75 N 1.13 0.95 -0.41 0.00 3.38 -0.74 0.26 115.31 119.88 2jps h LEU 75 Ca 0.32 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 2jps h LEU 75 Cb -0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2jps h LEU 75 CO -0.08 0.60 -0.26 -0.33 0.09 0.00 0.00 178.44 178.46 2jps h GLU 76 N 1.08 0.90 -0.56 1.13 4.39 -1.26 -2.08 114.58 118.18 2jps h GLU 76 Ca 0.42 -0.42 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2jps h GLU 76 Cb 0.20 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2jps h GLU 76 CO -0.18 1.07 -0.06 0.00 -1.16 0.00 0.00 179.01 178.67 2jps h ALA 77 N 0.81 0.82 -0.76 3.43 0.00 -0.48 -2.86 119.26 120.23 2jps h ALA 77 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2jps h ALA 77 Cb 0.83 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2jps h ALA 77 CO 0.07 0.67 0.28 -0.07 0.00 0.00 0.00 179.25 180.20 2jps h LEU 78 N 0.92 1.06 -1.78 0.00 3.38 -0.41 -0.42 115.31 118.07 2jps h LEU 78 Ca 0.15 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2jps h LEU 78 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2jps h LEU 78 CO 0.04 0.96 0.27 1.56 0.09 0.00 0.00 178.44 181.35 2jps h GLN 79 N 1.11 0.26 0.15 1.13 4.20 -1.14 -2.80 115.11 118.02 2jps h GLN 79 Ca 0.25 -0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.59 2jps h GLN 79 Cb 0.25 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2jps h GLN 79 CO -0.02 0.17 -1.87 1.96 -0.67 0.00 0.00 178.83 178.40 2jps h GLN 80 N 0.27 0.32 0.00 1.46 4.20 -1.34 -3.50 115.11 116.53 2jps h GLN 80 Ca 0.17 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2jps h GLN 80 Cb 0.34 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2jps h GLN 80 CO -0.04 1.27 0.00 0.41 -0.67 0.00 0.00 178.83 179.80 2jps n GLY 81 N 1.93 0.57 3.71 3.46 0.00 -0.22 -5.14 105.19 109.50 2jps n GLY 81 Ca -0.29 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 2.11 -0.08 1.61 0.41 -1.16 -4.98 118.70 116.60 2jps s GLU 82 Ca 0.00 -2.30 0.02 0.00 -0.41 0.00 0.00 54.97 52.28 2jps s GLU 82 Cb 0.00 -1.54 -0.02 0.00 -1.78 0.00 0.00 34.13 30.79 2jps s GLU 82 CO 0.00 -0.26 -0.14 -1.12 -0.49 0.00 0.00 175.26 173.25 2jps s SER 83 N -3.81 3.98 -0.19 -0.19 0.01 -1.26 -4.92 113.70 107.31 2jps s SER 83 Ca 0.16 -0.27 0.13 0.00 1.31 0.00 0.00 55.95 57.28 2jps s SER 83 Cb 0.04 -1.18 -0.23 0.00 0.21 0.00 0.00 66.02 64.87 2jps s SER 83 CO 0.08 0.26 0.10 0.00 0.41 0.00 0.00 173.24 174.10 2jps n ALA 84 N 2.86 1.46 -0.28 1.44 0.00 -1.26 -4.38 120.51 120.35 2jps n ALA 84 Ca -0.18 -1.18 0.08 0.00 0.00 0.00 0.00 53.44 52.17 2jps n ALA 84 Cb 0.52 -0.28 0.31 0.00 0.00 0.00 0.00 19.45 20.01 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 0.82 -0.80 0.00 4.81 -1.95 -1.16 114.58 116.30 2jps h GLU 85 Ca -0.51 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.73 2jps h GLU 85 Cb 2.13 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 31.28 2jps h GLU 85 CO 0.01 0.54 0.52 -0.91 -0.73 0.00 0.00 179.01 178.45 2jps h ASN 86 N 0.84 0.78 -0.48 1.04 2.35 -2.02 -1.40 115.58 116.69 2jps h ASN 86 Ca 0.42 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.12 2jps h ASN 86 Cb 0.47 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2jps h ASN 86 CO -0.18 0.50 0.12 0.40 -1.65 0.00 0.00 177.43 176.62 2jps h ILE 87 N 0.88 1.23 -0.74 2.81 2.04 -1.44 -2.59 117.51 119.71 2jps h ILE 87 Ca 0.34 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2jps h ILE 87 Cb 0.21 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2jps h ILE 87 CO -0.12 0.31 0.48 0.58 0.00 0.00 0.00 178.15 179.39 2jps h VAL 88 N 0.80 1.19 -0.87 1.67 2.07 -1.21 -2.11 116.25 117.79 2jps h VAL 88 Ca 0.17 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.40 2jps h VAL 88 Cb 0.30 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 2jps h VAL 88 CO -0.00 0.19 0.53 0.77 0.02 0.00 0.00 177.57 179.08 2jps h SER 89 N 1.00 0.81 0.10 0.57 4.64 -1.36 0.21 113.55 119.53 2jps h SER 89 Ca 0.27 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.50 2jps h SER 89 Cb -0.10 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2jps h SER 89 CO -0.06 0.50 -0.39 0.50 -0.87 0.00 0.00 176.83 176.51 2jps h LYS 90 N 0.93 0.39 -0.24 4.77 3.64 -1.43 -2.43 116.57 122.20 2jps h LYS 90 Ca 0.39 -0.18 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 2jps h LYS 90 Cb 0.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2jps h LYS 90 CO -0.20 0.72 -0.61 0.82 -2.27 0.00 0.00 179.45 177.91 2jps h ILE 91 N 0.32 1.28 -0.65 2.00 1.08 -0.72 -1.71 117.51 119.13 2jps h ILE 91 Ca 0.03 -1.81 -0.05 0.00 -0.39 0.00 0.00 64.86 62.64 2jps h ILE 91 Cb 0.83 1.75 -0.03 0.00 -3.07 0.00 0.00 36.82 36.30 2jps h ILE 91 CO 0.07 0.58 0.20 0.03 -0.69 0.00 0.00 178.15 178.34 2jps h ARG 92 N 0.60 0.98 -0.25 2.37 2.47 -0.53 0.50 114.38 120.53 2jps h ARG 92 Ca -0.00 -0.20 -0.18 0.00 -1.26 0.00 0.00 59.98 58.34 2jps h ARG 92 Cb 1.22 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2jps h ARG 92 CO 0.13 0.85 -0.54 1.98 0.56 0.00 0.00 179.97 182.94 2jps h MET 93 N 0.95 0.81 -0.26 0.04 4.05 -1.38 -0.51 114.93 118.63 2jps h MET 93 Ca 0.21 -0.53 -0.17 0.00 -0.28 0.00 0.00 59.70 58.93 2jps h MET 93 Cb 0.27 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 2jps h MET 93 CO -0.01 1.16 -0.50 1.98 0.23 0.00 0.00 176.91 179.77 2jps h MET 94 N 0.56 0.73 -0.30 0.39 1.85 -1.03 -2.06 114.93 115.07 2jps h MET 94 Ca 0.00 -0.43 -0.14 0.00 -0.61 0.00 0.00 59.70 58.52 2jps h MET 94 Cb 1.15 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.21 2jps h MET 94 CO 0.12 1.06 -0.39 -0.91 -0.40 0.00 0.00 176.91 176.39 2jps h ASN 95 N 0.57 0.75 -0.47 1.39 2.35 0.03 -2.60 115.58 117.61 2jps h ASN 95 Ca 0.02 -0.33 -0.11 0.00 -0.55 0.00 0.00 56.30 55.33 2jps h ASN 95 Cb 1.07 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 2jps h ASN 95 CO 0.10 1.05 -0.12 0.00 -1.65 0.00 0.00 177.43 176.82 2jps h ALA 96 N 0.98 0.83 -0.74 -0.83 0.00 -1.01 -2.83 119.26 115.67 2jps h ALA 96 Ca 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2jps h ALA 96 Cb 0.92 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jps h ALA 96 CO 0.08 0.65 0.28 0.37 0.00 0.00 0.00 179.25 180.64 2jps h GLN 97 N 0.84 1.11 -0.77 0.00 4.15 -1.26 0.49 115.11 119.68 2jps h GLN 97 Ca 0.13 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.34 2jps h GLN 97 Cb 0.67 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2jps h GLN 97 CO 0.05 0.92 0.48 1.03 -1.93 0.00 0.00 178.83 179.38 2jps h SER 98 N 1.07 0.90 -0.59 -0.69 0.87 -1.29 -2.88 113.55 110.94 2jps h SER 98 Ca 0.25 -0.04 -0.42 0.00 -1.23 0.00 0.00 61.79 60.35 2jps h SER 98 Cb 0.23 -0.23 -0.29 0.00 -0.44 0.00 0.00 62.40 61.67 2jps h SER 98 CO -0.02 0.67 -0.47 0.18 -0.53 0.00 0.00 176.83 176.67 2jps n LEU 99 N -4.40 4.75 0.25 2.23 4.77 -0.96 -4.83 117.00 118.82 2jps n LEU 99 Ca 0.08 -4.42 -0.10 0.00 -0.03 0.00 0.00 56.01 51.55 2jps n LEU 99 Cb 0.05 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 2jps n LEU 99 CO 0.37 1.80 0.42 1.23 -1.33 0.00 0.00 177.39 179.87 2jps h GLY 100 N 1.78 -0.69 -5.55 -0.72 0.00 0.21 -3.48 103.07 94.62 2jps h GLY 100 Ca 0.31 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2jps h GLY 100 CO 0.67 -0.25 -1.01 -0.18 0.00 0.00 0.00 176.54 175.77 2jps n GLN 101 N -4.10 -2.65 -3.23 4.80 0.00 -1.26 -4.33 117.38 106.61 2jps n GLN 101 Ca -0.08 2.24 -0.14 0.00 -0.00 0.00 0.00 57.00 59.02 2jps n GLN 101 Cb 0.26 -3.67 0.01 0.00 0.00 0.00 0.00 30.24 26.84 2jps n GLN 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jps n SER 102 N 1.28 -6.85 -4.01 1.69 2.88 -1.26 -5.02 113.62 102.32 2jps n SER 102 Ca -0.09 -0.10 -0.21 0.00 -1.33 0.00 0.00 58.87 57.14 2jps n SER 102 Cb 0.26 -3.97 -0.16 0.00 -0.75 0.00 0.00 64.21 59.59 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 -2.63 1.31 -0.46 -3.46 -1.08 -1.26 -5.07 116.67 104.02 2jps s ASP 103 Ca 0.13 -0.20 0.07 0.00 -0.52 0.00 0.00 52.55 52.03 2jps s ASP 103 Cb -0.03 -0.36 0.29 0.00 -1.46 0.00 0.00 42.92 41.36 2jps s ASP 103 CO 0.81 0.07 0.96 0.00 0.52 0.00 0.00 175.17 177.53 2jps n ILE 104 N 3.29 -0.06 -0.32 4.11 0.13 -1.26 -5.15 119.36 120.09 2jps n ILE 104 Ca -0.18 -1.94 0.00 0.00 -1.10 0.00 0.00 62.75 59.53 2jps n ILE 104 Cb 0.54 1.11 0.00 0.00 -0.84 0.00 0.00 39.64 40.45 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35