#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 3.69 -0.44 7.83 0.01 -1.26 -5.10 113.70 118.43 2jps s SER 2 Ca 0.00 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2jps s SER 2 Cb 0.00 -0.50 0.15 0.00 0.21 0.00 0.00 66.02 65.88 2jps s SER 2 CO 0.00 0.22 0.30 -1.10 0.41 0.00 0.00 173.24 173.06 2jps s GLN 3 N -1.74 1.13 -0.21 12.44 -1.52 -1.26 -4.95 119.66 123.55 2jps s GLN 3 Ca 0.15 -2.04 -0.03 0.00 -1.95 0.00 0.00 55.36 51.49 2jps s GLN 3 Cb -0.10 -1.93 -0.20 0.00 -0.22 0.00 0.00 33.01 30.55 2jps s GLN 3 CO 0.07 -1.26 -0.00 -1.91 -0.25 0.00 0.00 175.29 171.94 2jps n GLU 4 N 3.25 0.68 -0.27 2.91 2.13 -1.26 -3.38 120.64 124.70 2jps n GLU 4 Ca 0.17 0.22 0.09 0.00 0.66 0.00 0.00 57.16 58.30 2jps n GLU 4 Cb 0.39 -1.60 0.33 0.00 0.27 0.00 0.00 31.44 30.84 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 -0.08 0.77 -0.17 5.31 3.07 -1.99 0.38 115.11 122.40 2jps h GLN 5 Ca -0.52 -0.05 -0.22 0.00 0.09 0.00 0.00 58.65 57.95 2jps h GLN 5 Cb 1.90 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 29.30 2jps h GLN 5 CO -0.05 0.51 -0.75 1.88 0.09 0.00 0.00 178.83 180.51 2jps h TYR 6 N 0.80 1.05 -0.73 0.06 -1.99 -1.98 -2.52 116.97 111.65 2jps h TYR 6 Ca 0.42 -0.45 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 2jps h TYR 6 Cb 0.54 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 2jps h TYR 6 CO -0.00 1.28 0.33 1.15 -0.00 0.00 0.00 178.16 180.92 2jps h THR 7 N 0.54 1.24 -0.51 -2.88 2.02 -0.99 0.86 112.91 113.19 2jps h THR 7 Ca -0.04 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.33 2jps h THR 7 Cb 1.37 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2jps h THR 7 CO 0.15 0.29 -0.09 -0.08 0.37 0.00 0.00 175.52 176.16 2jps h GLU 8 N 1.02 0.96 -0.04 6.66 4.81 -0.33 0.37 114.58 128.03 2jps h GLU 8 Ca 0.25 -0.35 -0.25 0.00 -0.13 0.00 0.00 59.36 58.88 2jps h GLU 8 Cb 0.15 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2jps h GLU 8 CO -0.03 1.02 -0.95 -0.91 -0.73 0.00 0.00 179.01 177.41 2jps h ASN 9 N 0.82 0.84 -0.26 1.04 4.21 -1.18 -3.14 115.58 117.92 2jps h ASN 9 Ca 0.13 -0.64 -0.11 0.00 1.21 0.00 0.00 56.30 56.90 2jps h ASN 9 Cb 0.65 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2jps h ASN 9 CO 0.04 1.44 -0.20 0.25 -1.29 0.00 0.00 177.43 177.67 2jps h LEU 10 N 0.40 0.72 -1.75 1.61 5.85 0.85 -2.68 115.31 120.31 2jps h LEU 10 Ca -0.10 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2jps h LEU 10 Cb 1.59 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2jps h LEU 10 CO 0.18 0.92 0.20 0.50 -0.34 0.00 0.00 178.44 179.91 2jps h LYS 11 N 0.63 0.32 -0.03 1.25 3.64 -0.25 0.14 116.57 122.27 2jps h LYS 11 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2jps h LYS 11 Cb 0.69 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2jps h LYS 11 CO 0.05 0.21 -0.04 0.28 -2.27 0.00 0.00 179.45 177.69 2jps h VAL 12 N 0.33 1.39 -0.45 2.00 2.07 -1.43 -0.90 116.25 119.26 2jps h VAL 12 Ca 0.12 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 2jps h VAL 12 Cb 0.08 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2jps h VAL 12 CO -0.03 0.33 -0.01 0.40 0.02 0.00 0.00 177.57 178.28 2jps h ILE 13 N -0.40 1.24 -0.52 4.57 2.04 -1.35 -2.05 117.51 121.04 2jps h ILE 13 Ca 0.00 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 2jps h ILE 13 Cb 0.55 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2jps h ILE 13 CO 0.01 0.35 0.06 0.58 0.00 0.00 0.00 178.15 179.15 2jps h VAL 14 N 0.70 1.26 -0.16 1.67 2.07 -0.70 -2.49 116.25 118.59 2jps h VAL 14 Ca 0.14 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2jps h VAL 14 Cb 0.45 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2jps h VAL 14 CO 0.02 0.35 -0.06 0.00 0.02 0.00 0.00 177.57 177.90 2jps h ALA 15 N 0.97 1.61 -0.95 1.67 0.00 -0.82 -2.48 119.26 119.26 2jps h ALA 15 Ca 0.16 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2jps h ALA 15 Cb 0.44 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2jps h ALA 15 CO 0.01 0.29 0.60 1.49 0.00 0.00 0.00 179.25 181.64 2jps h GLU 16 N 0.23 0.66 0.00 0.00 4.81 -0.90 0.86 114.58 120.24 2jps h GLU 16 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2jps h GLU 16 Cb 0.26 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2jps h GLU 16 CO 0.01 0.44 -0.07 0.87 -0.73 0.00 0.00 179.01 179.53 2jps h LYS 17 N 0.68 0.00 -0.15 1.92 1.79 -1.51 -1.27 116.57 118.03 2jps h LYS 17 Ca 0.50 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 59.00 2jps h LYS 17 Cb 0.86 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 2jps h LYS 17 CO -0.26 0.73 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.76 2jps h LEU 18 N -1.00 -0.09 -1.44 2.94 4.07 -1.25 0.94 115.31 119.47 2jps h LEU 18 Ca -0.02 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2jps h LEU 18 Cb 0.76 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2jps h LEU 18 CO -0.01 -0.03 -0.20 0.00 -1.08 0.00 0.00 178.44 177.12 2jps h ALA 19 N 1.14 1.14 0.07 1.53 0.00 0.59 -3.14 119.26 120.59 2jps h ALA 19 Ca 0.07 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 2jps h ALA 19 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jps h ALA 19 CO -0.14 0.25 -1.69 0.78 0.00 0.00 0.00 179.25 178.46 2jps h GLY 20 N 1.51 0.16 -4.29 0.00 0.00 -0.03 -3.47 103.07 96.95 2jps h GLY 20 Ca -0.00 -0.42 -0.53 0.00 0.00 0.00 0.00 47.33 46.38 2jps h GLY 20 CO 0.03 0.37 0.88 1.39 0.00 0.00 0.00 176.54 179.20 2jps n ILE 21 N -3.30 1.08 -0.05 2.60 5.41 0.31 -4.91 119.36 120.50 2jps n ILE 21 Ca -0.20 -0.27 -0.15 0.00 1.00 0.00 0.00 62.75 63.13 2jps n ILE 21 Cb 1.04 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.93 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 4.70 0.64 -0.90 0.38 0.13 -1.89 -3.17 132.00 131.88 2jps h PRO 22 Ca -0.47 -0.44 0.11 0.00 -0.87 0.00 0.00 66.00 64.33 2jps h PRO 22 Cb 1.22 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 2jps h PRO 22 CO 0.79 1.06 0.58 -0.97 -0.23 0.00 0.00 178.00 179.23 2jps h ASN 23 N 0.32 0.78 -1.73 1.44 -1.24 -1.95 -3.38 115.58 109.82 2jps h ASN 23 Ca -0.01 0.03 -0.49 0.00 0.71 0.00 0.00 56.30 56.54 2jps h ASN 23 Cb 1.08 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 40.01 2jps h ASN 23 CO 0.10 0.44 1.59 -0.36 -1.29 0.00 0.00 177.43 177.91 2jps s PHE 24 N -5.79 1.12 -0.27 0.67 0.40 -1.20 -4.77 117.98 108.14 2jps s PHE 24 Ca -0.11 1.30 -0.05 0.00 -0.60 0.00 0.00 56.93 57.47 2jps s PHE 24 Cb 0.21 -3.68 -0.14 0.00 0.51 0.00 0.00 43.02 39.92 2jps s PHE 24 CO 0.79 -2.87 -0.29 0.09 0.70 0.00 0.00 175.22 173.64 2jps n ASN 25 N 14.82 1.97 -4.30 1.36 4.13 -1.26 -4.94 115.26 127.04 2jps n ASN 25 Ca 0.34 0.09 -0.25 0.00 1.68 0.00 0.00 54.58 56.44 2jps n ASN 25 Cb 0.52 -0.60 -0.09 0.00 -1.54 0.00 0.00 39.78 38.08 2jps n ASN 25 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2jps s GLU 26 N -2.51 1.87 -1.01 3.52 1.03 -1.26 -4.90 118.70 115.44 2jps s GLU 26 Ca -0.36 -2.12 -0.12 0.00 0.03 0.00 0.00 54.97 52.40 2jps s GLU 26 Cb 0.12 -0.80 -0.02 0.00 -0.80 0.00 0.00 34.13 32.63 2jps s GLU 26 CO 0.54 -0.37 0.78 -0.25 -1.33 0.00 0.00 175.26 174.63 2jps n ASP 27 N -1.10 -6.01 -0.10 0.83 8.00 -1.26 -4.95 116.55 111.96 2jps n ASP 27 Ca -0.06 -0.78 -0.14 0.00 0.71 0.00 0.00 54.79 54.52 2jps n ASP 27 Cb 0.66 -3.90 -0.09 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 -3.37 1.14 -0.02 0.53 0.00 -1.26 -3.93 119.36 112.46 2jps n ILE 28 Ca -0.10 -0.43 -0.16 0.00 0.00 0.00 0.00 62.75 62.07 2jps n ILE 28 Cb 0.59 -1.24 -0.05 0.00 0.00 0.00 0.00 39.64 38.95 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 -0.04 0.73 -0.13 9.51 1.57 -1.98 -2.71 116.57 123.52 2jps h LYS 29 Ca -0.45 -0.58 -0.11 0.00 -1.87 0.00 0.00 60.65 57.64 2jps h LYS 29 Cb 1.68 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2jps h LYS 29 CO -0.08 1.19 -0.42 1.88 -0.57 0.00 0.00 179.45 181.45 2jps h TYR 30 N 0.51 0.35 -0.19 -1.35 0.05 -1.98 -2.51 116.97 111.85 2jps h TYR 30 Ca -0.04 -0.10 -0.16 0.00 0.05 0.00 0.00 58.73 58.49 2jps h TYR 30 Cb 1.35 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 39.01 2jps h TYR 30 CO 0.08 0.67 -0.53 0.28 -1.05 0.00 0.00 178.16 177.61 2jps h VAL 31 N 0.25 1.32 -0.42 -2.88 2.07 -1.67 -2.38 116.25 112.55 2jps h VAL 31 Ca 0.02 -1.77 -0.15 0.00 0.82 0.00 0.00 66.70 65.62 2jps h VAL 31 Cb 0.84 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2jps h VAL 31 CO 0.07 0.55 -0.32 0.00 0.02 0.00 0.00 177.57 177.89 2jps h ALA 32 N 1.00 0.65 -0.60 1.67 0.00 -1.36 -1.94 119.26 118.68 2jps h ALA 32 Ca 0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2jps h ALA 32 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2jps h ALA 32 CO 0.10 0.67 0.26 0.93 0.00 0.00 0.00 179.25 181.22 2jps h GLU 33 N 0.78 0.88 -0.71 0.00 5.08 -1.38 -1.41 114.58 117.82 2jps h GLU 33 Ca 0.08 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2jps h GLU 33 Cb 0.90 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2jps h GLU 33 CO 0.08 0.73 0.32 -0.92 -1.00 0.00 0.00 179.01 178.22 2jps h TYR 34 N 0.82 1.05 -0.40 4.33 3.20 -1.32 0.32 116.97 124.97 2jps h TYR 34 Ca 0.20 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2jps h TYR 34 Cb 0.16 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2jps h TYR 34 CO 0.00 0.79 0.24 0.82 -1.64 0.00 0.00 178.16 178.38 2jps h ILE 35 N 1.00 1.06 -0.83 1.81 2.04 -0.93 -0.66 117.51 120.99 2jps h ILE 35 Ca 0.24 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2jps h ILE 35 Cb 0.16 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2jps h ILE 35 CO -0.03 0.09 0.39 0.58 0.00 0.00 0.00 178.15 179.18 2jps h VAL 36 N 0.49 1.26 -0.75 1.67 2.07 -0.84 -0.84 116.25 119.31 2jps h VAL 36 Ca 0.16 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2jps h VAL 36 Cb -0.01 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 2jps h VAL 36 CO -0.06 0.32 0.46 0.25 0.02 0.00 0.00 177.57 178.55 2jps h LEU 37 N 1.19 0.73 -0.43 2.57 5.85 -0.01 0.90 115.31 126.11 2jps h LEU 37 Ca 0.28 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2jps h LEU 37 Cb 0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2jps h LEU 37 CO -0.03 0.49 0.14 -0.07 -0.34 0.00 0.00 178.44 178.62 2jps h LEU 38 N 0.87 0.63 -0.61 2.25 3.38 -0.52 -0.84 115.31 120.47 2jps h LEU 38 Ca 0.31 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2jps h LEU 38 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2jps h LEU 38 CO -0.14 0.67 0.26 0.40 0.09 0.00 0.00 178.44 179.71 2jps h ILE 39 N 0.56 1.23 0.00 1.22 1.08 -0.07 0.43 117.51 121.96 2jps h ILE 39 Ca 0.14 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2jps h ILE 39 Cb 0.26 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 2jps h ILE 39 CO -0.00 0.27 0.00 0.58 -0.69 0.00 0.00 178.15 178.31 2jps h VAL 40 N 0.84 0.00 0.00 1.67 2.07 0.11 -3.20 116.25 117.74 2jps h VAL 40 Ca 0.20 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2jps h VAL 40 Cb 0.18 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2jps h VAL 40 CO -0.02 0.00 -0.31 0.59 0.02 0.00 0.00 177.57 177.85 2jps n ASN 41 N -2.49 1.34 0.00 0.57 3.02 -0.35 -4.96 115.26 112.40 2jps n ASN 41 Ca 0.02 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 2jps n ASN 41 Cb 0.25 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.74 -1.73 3.15 7.41 0.00 0.15 -4.98 105.19 108.44 2jps n GLY 42 Ca 0.10 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.42 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 2.89 -0.02 0.00 -1.24 -4.40 105.19 104.70 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 5.27 1.50 0.44 2.61 -4.23 -1.26 -5.00 115.64 114.97 2jps s THR 44 Ca 0.59 -1.57 0.24 0.00 -1.18 0.00 0.00 61.69 59.77 2jps s THR 44 Cb 0.14 -1.98 0.44 0.00 1.34 0.00 0.00 72.50 72.45 2jps s THR 44 CO 0.15 -0.43 1.78 0.58 -0.54 0.00 0.00 174.62 176.16 2jps h VAL 45 N 6.59 0.48 0.28 2.29 2.07 -1.95 0.82 116.25 126.84 2jps h VAL 45 Ca -0.13 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jps h VAL 45 Cb 1.04 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jps h VAL 45 CO 0.46 0.05 -0.13 -0.08 0.02 0.00 0.00 177.57 177.88 2jps h GLU 46 N 0.27 -0.36 -0.37 1.57 4.22 -1.97 -0.37 114.58 117.57 2jps h GLU 46 Ca 0.59 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 60.00 2jps h GLU 46 Cb 1.74 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 2jps h GLU 46 CO -0.21 -0.04 0.01 1.03 -2.18 0.00 0.00 179.01 177.61 2jps h SER 47 N -0.96 0.55 -0.33 1.04 0.87 -1.76 -1.57 113.55 111.39 2jps h SER 47 Ca -0.04 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 2jps h SER 47 Cb 0.49 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2jps h SER 47 CO 0.06 0.62 -0.01 0.58 -0.53 0.00 0.00 176.83 177.55 2jps h VAL 48 N 0.56 1.26 -0.63 2.23 2.07 0.61 -2.48 116.25 119.88 2jps h VAL 48 Ca 0.12 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 2jps h VAL 48 Cb 0.35 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2jps h VAL 48 CO 0.01 0.32 0.12 0.58 0.02 0.00 0.00 177.57 178.62 2jps h VAL 49 N 0.39 1.26 -0.37 2.57 2.07 -0.80 -2.38 116.25 118.99 2jps h VAL 49 Ca 0.09 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.67 2jps h VAL 49 Cb 0.46 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2jps h VAL 49 CO 0.02 0.37 0.25 0.44 0.02 0.00 0.00 177.57 178.67 2jps h ASP 50 N 0.94 0.26 -0.31 0.57 5.19 -1.15 0.13 116.42 122.06 2jps h ASP 50 Ca 0.19 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.42 2jps h ASP 50 Cb 0.41 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 2jps h ASP 50 CO 0.01 0.18 -0.52 -0.33 -3.12 0.00 0.00 179.24 175.45 2jps h GLU 51 N 0.30 0.90 0.01 3.56 3.07 -0.96 0.22 114.58 121.69 2jps h GLU 51 Ca 0.16 -0.55 -0.22 0.00 -0.50 0.00 0.00 59.36 58.24 2jps h GLU 51 Cb 0.25 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2jps h GLU 51 CO -0.03 1.19 -0.96 -0.07 -1.40 0.00 0.00 179.01 177.74 2jps h LEU 52 N 0.69 0.47 -0.58 1.33 -0.00 -1.19 -3.12 115.31 112.91 2jps h LEU 52 Ca 0.02 -0.39 -0.15 0.00 -0.00 0.00 0.00 57.88 57.36 2jps h LEU 52 Cb 1.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 2jps h LEU 52 CO 0.12 1.20 -0.53 0.00 -0.00 0.00 0.00 178.44 179.22 2jps h ALA 53 N 0.77 0.76 -0.66 1.53 0.00 -0.75 1.06 119.26 121.98 2jps h ALA 53 Ca -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2jps h ALA 53 Cb 1.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2jps h ALA 53 CO 0.16 0.68 0.37 0.77 0.00 0.00 0.00 179.25 181.24 2jps h SER 54 N 0.38 0.80 0.03 0.00 0.02 -0.95 -2.68 113.55 111.16 2jps h SER 54 Ca 0.01 -0.05 -0.39 0.00 -0.84 0.00 0.00 61.79 60.52 2jps h SER 54 Cb 1.05 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.34 2jps h SER 54 CO 0.10 0.63 -2.34 0.18 -1.14 0.00 0.00 176.83 174.27 2jps n LEU 55 N -4.39 2.78 -3.96 5.07 4.77 -1.15 -4.66 117.00 115.47 2jps n LEU 55 Ca 0.06 -0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 2jps n LEU 55 Cb 0.09 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 2jps n LEU 55 CO 0.37 0.87 0.46 0.49 -1.33 0.00 0.00 177.39 178.25 2jps n PHE 56 N -3.43 3.78 -1.08 -1.77 3.72 0.36 -4.86 117.46 114.18 2jps n PHE 56 Ca -0.43 -3.84 -0.14 0.00 -0.05 0.00 0.00 57.45 52.99 2jps n PHE 56 Cb 0.99 -1.07 0.25 0.00 -0.94 0.00 0.00 39.48 38.71 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 1.84 4.33 -0.07 4.37 2.03 -1.01 -4.25 116.55 123.80 2jps n ASP 57 Ca 0.24 -3.37 -0.16 0.00 0.52 0.00 0.00 54.79 52.02 2jps n ASP 57 Cb 0.37 -0.79 -0.14 0.00 -0.72 0.00 0.00 41.12 39.85 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 -0.58 1.40 -4.88 1.67 7.64 -1.26 -4.95 113.62 112.66 2jps n SER 58 Ca 0.49 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.15 2jps n SER 58 Cb 1.51 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.54 4.79 0.36 0.44 0.11 -1.26 -5.01 120.40 117.29 2jps s VAL 59 Ca -0.21 0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 59.16 2jps s VAL 59 Cb 0.08 -3.78 -0.12 0.00 -1.53 0.00 0.00 36.38 31.03 2jps s VAL 59 CO 0.73 -0.67 1.20 -1.20 -3.33 0.00 0.00 175.10 171.83 2jps n SER 60 N -1.68 2.27 -0.21 3.54 7.64 -1.26 -4.85 113.62 119.07 2jps n SER 60 Ca 0.03 1.16 0.16 0.00 1.01 0.00 0.00 58.87 61.23 2jps n SER 60 Cb 0.54 -1.44 0.49 0.00 -1.01 0.00 0.00 64.21 62.79 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 2.23 0.44 -0.91 1.43 2.47 -1.96 -0.83 114.38 117.25 2jps h ARG 61 Ca -0.45 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.32 2jps h ARG 61 Cb 1.30 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 29.46 2jps h ARG 61 CO 0.61 0.29 0.59 0.22 0.56 0.00 0.00 179.97 182.24 2jps h ASP 62 N 0.46 0.88 -0.60 7.04 1.82 -1.99 -0.24 116.42 123.79 2jps h ASP 62 Ca 0.42 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 57.04 2jps h ASP 62 Cb 0.95 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2jps h ASP 62 CO -0.15 0.54 0.24 0.74 -1.61 0.00 0.00 179.24 179.00 2jps h THR 63 N 0.99 1.23 -0.12 2.25 2.02 -1.49 0.13 112.91 117.91 2jps h THR 63 Ca 0.41 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2jps h THR 63 Cb 0.29 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2jps h THR 63 CO -0.17 0.28 0.00 -0.07 0.37 0.00 0.00 175.52 175.93 2jps h LEU 64 N 0.83 0.21 -1.32 2.58 4.07 -1.30 -2.83 115.31 117.55 2jps h LEU 64 Ca 0.20 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 2jps h LEU 64 Cb 0.20 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 2jps h LEU 64 CO -0.02 0.46 0.39 0.00 -1.08 0.00 0.00 178.44 178.19 2jps h ALA 65 N 0.76 1.49 -0.77 1.53 0.00 -0.90 -2.10 119.26 119.27 2jps h ALA 65 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jps h ALA 65 Cb 0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2jps h ALA 65 CO 0.01 0.45 0.49 -0.97 0.00 0.00 0.00 179.25 179.22 2jps h ASN 66 N 0.87 0.90 0.28 0.00 -1.24 -0.51 -0.05 115.58 115.82 2jps h ASN 66 Ca 0.23 -0.03 -0.18 0.00 0.71 0.00 0.00 56.30 57.02 2jps h ASN 66 Cb -0.05 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 2jps h ASN 66 CO -0.04 0.67 -0.72 0.58 -1.29 0.00 0.00 177.43 176.62 2jps h VAL 67 N 1.05 1.38 -0.12 2.57 2.07 -1.16 -2.90 116.25 119.14 2jps h VAL 67 Ca 0.28 -2.14 -0.14 0.00 0.82 0.00 0.00 66.70 65.51 2jps h VAL 67 Cb -0.09 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2jps h VAL 67 CO -0.06 0.64 -0.53 0.58 0.02 0.00 0.00 177.57 178.22 2jps h VAL 68 N 0.26 1.35 -0.65 2.57 2.07 -1.00 -2.73 116.25 118.11 2jps h VAL 68 Ca -0.03 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 2jps h VAL 68 Cb 1.30 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2jps h VAL 68 CO 0.12 0.55 0.17 -0.61 0.02 0.00 0.00 177.57 177.82 2jps h GLN 69 N 0.28 1.04 -0.00 1.57 4.15 -0.95 -1.99 115.11 119.21 2jps h GLN 69 Ca 0.01 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.09 2jps h GLN 69 Cb 1.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 2jps h GLN 69 CO 0.09 0.93 -0.44 0.00 -1.93 0.00 0.00 178.83 177.48 2jps h THR 70 N 0.97 1.32 -0.22 2.39 1.03 -1.43 -2.63 112.91 114.34 2jps h THR 70 Ca 0.21 -1.51 -0.17 0.00 -0.01 0.00 0.00 66.41 64.93 2jps h THR 70 Cb 0.35 1.81 -0.00 0.00 -1.07 0.00 0.00 68.15 69.24 2jps h THR 70 CO 0.00 0.43 -0.54 0.00 -0.01 0.00 0.00 175.52 175.40 2jps h ALA 71 N 1.56 0.63 -0.13 0.00 0.00 -1.15 -1.69 119.26 118.47 2jps h ALA 71 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2jps h ALA 71 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jps h ALA 71 CO 0.06 0.69 0.06 0.74 0.00 0.00 0.00 179.25 180.79 2jps h PHE 72 N 0.51 0.20 -0.89 0.00 -1.00 -1.14 -1.86 116.94 112.76 2jps h PHE 72 Ca 0.01 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2jps h PHE 72 Cb 1.10 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 2jps h PHE 72 CO 0.05 0.26 0.53 0.74 -1.61 0.00 0.00 178.31 178.28 2jps h PHE 73 N 0.08 1.18 -0.95 -0.55 0.04 -1.45 -2.06 116.94 113.23 2jps h PHE 73 Ca 0.05 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.84 2jps h PHE 73 Cb 0.14 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 37.85 2jps h PHE 73 CO -0.02 0.79 0.62 0.00 -0.60 0.00 0.00 178.31 179.09 2jps h ALA 74 N 1.35 1.39 -0.91 2.45 0.00 -0.89 -1.72 119.26 120.92 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 -0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.34 2jps h ALA 74 CO -0.06 0.53 0.57 -0.07 0.00 0.00 0.00 179.25 180.22 2jps h LEU 75 N 1.20 0.90 -0.35 0.00 -0.00 -0.61 0.45 115.31 116.90 2jps h LEU 75 Ca 0.37 0.02 -0.14 0.00 -0.00 0.00 0.00 57.88 58.13 2jps h LEU 75 Cb -0.01 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 2jps h LEU 75 CO -0.11 0.56 -0.33 -0.33 -0.00 0.00 0.00 178.44 178.23 2jps h GLU 76 N 1.03 0.84 -0.59 1.13 5.08 -1.29 -2.11 114.58 118.66 2jps h GLU 76 Ca 0.40 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2jps h GLU 76 Cb 0.20 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jps h GLU 76 CO -0.18 1.08 -0.02 0.00 -1.00 0.00 0.00 179.01 178.89 2jps h ALA 77 N 0.75 0.85 -0.79 3.43 0.00 -0.50 -2.84 119.26 120.15 2jps h ALA 77 Ca 0.06 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jps h ALA 77 Cb 0.92 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2jps h ALA 77 CO 0.08 0.67 0.31 -0.07 0.00 0.00 0.00 179.25 180.24 2jps h LEU 78 N 0.95 1.10 -1.79 0.00 3.38 -0.05 0.87 115.31 119.78 2jps h LEU 78 Ca 0.17 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2jps h LEU 78 Cb 0.57 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2jps h LEU 78 CO 0.03 0.98 0.25 1.56 0.09 0.00 0.00 178.44 181.36 2jps h GLN 79 N 1.16 0.25 0.12 1.13 4.20 -1.14 -2.89 115.11 117.94 2jps h GLN 79 Ca 0.26 -0.01 -0.36 0.00 0.06 0.00 0.00 58.65 58.60 2jps h GLN 79 Cb 0.23 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2jps h GLN 79 CO -0.02 0.16 -1.98 0.94 -0.67 0.00 0.00 178.83 177.26 2jps n GLN 80 N -4.48 0.76 0.00 1.46 -0.06 -0.88 -5.04 117.38 109.14 2jps n GLN 80 Ca 0.05 0.27 0.00 0.00 -2.00 0.00 0.00 57.00 55.32 2jps n GLN 80 Cb 0.26 -1.71 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 2jps n GLN 80 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jps n GLY 81 N 1.98 0.59 3.85 1.69 0.00 0.25 -5.13 105.19 108.41 2jps n GLY 81 Ca -0.32 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.09 1.61 2.12 -1.11 -4.98 118.70 118.48 2jps s GLU 82 Ca 0.00 -2.26 0.03 0.00 0.36 0.00 0.00 54.97 53.10 2jps s GLU 82 Cb 0.00 -1.79 -0.01 0.00 0.26 0.00 0.00 34.13 32.59 2jps s GLU 82 CO 0.00 -0.53 -0.20 -1.12 -0.54 0.00 0.00 175.26 172.87 2jps s SER 83 N -4.10 3.46 -0.17 -1.70 0.01 -1.26 -4.94 113.70 105.00 2jps s SER 83 Ca 0.16 -0.44 0.14 0.00 1.31 0.00 0.00 55.95 57.13 2jps s SER 83 Cb -0.01 -1.24 -0.24 0.00 0.21 0.00 0.00 66.02 64.74 2jps s SER 83 CO 0.10 0.21 0.19 0.00 0.41 0.00 0.00 173.24 174.15 2jps n ALA 84 N 3.22 1.47 -0.24 1.44 0.00 -1.26 -4.34 120.51 120.80 2jps n ALA 84 Ca -0.18 -1.16 0.11 0.00 0.00 0.00 0.00 53.44 52.22 2jps n ALA 84 Cb 0.53 -0.35 0.39 0.00 0.00 0.00 0.00 19.45 20.02 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 0.65 -0.88 0.00 5.08 -1.95 -0.77 114.58 116.71 2jps h GLU 85 Ca -0.49 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 57.91 2jps h GLU 85 Cb 2.15 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 31.20 2jps h GLU 85 CO 0.03 0.43 0.57 -0.91 -1.00 0.00 0.00 179.01 178.14 2jps h ASN 86 N 0.67 0.84 -0.51 1.42 2.35 -2.02 -1.06 115.58 117.27 2jps h ASN 86 Ca 0.41 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 56.11 2jps h ASN 86 Cb 0.65 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2jps h ASN 86 CO -0.17 0.52 0.08 0.40 -1.65 0.00 0.00 177.43 176.60 2jps h ILE 87 N 0.94 1.25 -0.66 2.81 2.04 -1.37 -2.63 117.51 119.87 2jps h ILE 87 Ca 0.39 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2jps h ILE 87 Cb 0.30 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2jps h ILE 87 CO -0.16 0.35 0.43 0.58 0.00 0.00 0.00 178.15 179.36 2jps h VAL 88 N 0.86 1.17 -0.85 1.67 2.07 -1.13 -2.03 116.25 118.01 2jps h VAL 88 Ca 0.17 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.45 2jps h VAL 88 Cb 0.40 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 2jps h VAL 88 CO 0.01 0.17 0.51 0.77 0.02 0.00 0.00 177.57 179.05 2jps h SER 89 N 0.90 0.75 0.02 0.57 4.64 -1.24 0.50 113.55 119.70 2jps h SER 89 Ca 0.24 0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2jps h SER 89 Cb -0.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2jps h SER 89 CO -0.05 0.45 -0.47 0.50 -0.87 0.00 0.00 176.83 176.39 2jps h LYS 90 N 0.87 0.52 -0.28 4.77 3.11 -1.43 -2.74 116.57 121.39 2jps h LYS 90 Ca 0.40 -0.29 -0.17 0.00 -2.81 0.00 0.00 60.65 57.78 2jps h LYS 90 Cb 0.30 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2jps h LYS 90 CO -0.22 0.88 -0.50 0.82 -2.81 0.00 0.00 179.45 177.62 2jps h ILE 91 N 0.42 1.29 -0.75 2.00 1.08 -0.61 -2.14 117.51 118.80 2jps h ILE 91 Ca 0.02 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 2jps h ILE 91 Cb 0.98 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 36.29 2jps h ILE 91 CO 0.09 0.55 0.43 -0.09 -0.69 0.00 0.00 178.15 178.44 2jps h ARG 92 N 0.61 1.03 -0.22 2.37 1.12 0.04 0.83 114.38 120.16 2jps h ARG 92 Ca 0.03 -0.10 -0.18 0.00 -1.11 0.00 0.00 59.98 58.62 2jps h ARG 92 Cb 1.08 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 2jps h ARG 92 CO 0.11 0.74 -0.55 0.52 -3.11 0.00 0.00 179.97 177.67 2jps h MET 93 N 1.04 0.77 -0.21 0.20 2.86 -1.38 -0.55 114.93 117.66 2jps h MET 93 Ca 0.27 -0.53 -0.18 0.00 -2.06 0.00 0.00 59.70 57.20 2jps h MET 93 Cb -0.01 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 2jps h MET 93 CO -0.05 1.15 -0.59 1.98 1.06 0.00 0.00 176.91 180.46 2jps h MET 94 N 0.50 0.69 -0.26 1.72 4.05 -0.95 -2.41 114.93 118.27 2jps h MET 94 Ca -0.01 -0.46 -0.13 0.00 -0.28 0.00 0.00 59.70 58.83 2jps h MET 94 Cb 1.17 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.02 2jps h MET 94 CO 0.12 1.08 -0.36 -0.91 0.23 0.00 0.00 176.91 177.07 2jps h ASN 95 N 0.52 0.61 -0.42 1.39 2.35 0.69 -2.04 115.58 118.69 2jps h ASN 95 Ca 0.00 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.37 2jps h ASN 95 Cb 1.17 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 2jps h ASN 95 CO 0.12 0.92 -0.21 0.00 -1.65 0.00 0.00 177.43 176.61 2jps h ALA 96 N 1.11 0.76 -0.45 -0.83 0.00 -1.03 -2.03 119.26 116.80 2jps h ALA 96 Ca 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2jps h ALA 96 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jps h ALA 96 CO 0.07 0.66 -0.12 0.37 0.00 0.00 0.00 179.25 180.24 2jps h GLN 97 N 0.80 0.87 -0.68 0.00 5.75 -1.31 0.83 115.11 121.37 2jps h GLN 97 Ca 0.11 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 2jps h GLN 97 Cb 0.77 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 2jps h GLN 97 CO 0.06 0.98 0.31 0.66 -2.65 0.00 0.00 178.83 178.19 2jps h SER 98 N 0.71 0.88 -0.58 -0.69 4.64 -1.26 -2.99 113.55 114.26 2jps h SER 98 Ca 0.11 -0.10 -0.41 0.00 -0.47 0.00 0.00 61.79 60.93 2jps h SER 98 Cb 0.66 -0.23 -0.29 0.00 -0.31 0.00 0.00 62.40 62.24 2jps h SER 98 CO 0.05 0.76 -0.47 -0.11 -0.87 0.00 0.00 176.83 176.19 2jps n LEU 99 N -4.33 4.69 -3.09 5.97 7.94 -0.77 -4.78 117.00 122.63 2jps n LEU 99 Ca 0.06 -4.40 -0.21 0.00 -1.11 0.00 0.00 56.01 50.35 2jps n LEU 99 Cb 0.15 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.57 2jps n LEU 99 CO 0.39 1.78 -0.08 0.61 -1.11 0.00 0.00 177.39 178.98 2jps n GLY 100 N -0.87 4.37 2.91 -3.96 0.00 0.29 -4.93 105.19 103.00 2jps n GLY 100 Ca 0.40 -2.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.83 0.99 -1.38 1.61 0.74 -1.26 -4.84 119.66 112.68 2jps s GLN 101 Ca 0.43 -0.15 -0.04 0.00 0.05 0.00 0.00 55.36 55.66 2jps s GLN 101 Cb 0.32 -0.98 0.02 0.00 1.10 0.00 0.00 33.01 33.48 2jps s GLN 101 CO -0.10 -0.09 0.71 -1.13 -0.55 0.00 0.00 175.29 174.13 2jps n SER 102 N 4.13 -1.84 -3.20 6.67 3.41 -1.26 -4.93 113.62 116.59 2jps n SER 102 Ca -0.23 -0.85 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 2jps n SER 102 Cb 0.51 -3.80 -0.06 0.00 -0.26 0.00 0.00 64.21 60.60 2jps n SER 102 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2jps n ASP 103 N -2.99 1.66 -4.21 4.04 9.92 -1.26 -5.09 116.55 118.63 2jps n ASP 103 Ca -0.22 -3.06 -0.28 0.00 -0.53 0.00 0.00 54.79 50.70 2jps n ASP 103 Cb 0.64 -0.63 -0.16 0.00 -0.64 0.00 0.00 41.12 40.33 2jps n ASP 103 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jps s ILE 104 N -2.22 1.65 0.00 0.53 1.01 -1.26 -5.12 121.20 115.79 2jps s ILE 104 Ca 0.39 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2jps s ILE 104 Cb 0.23 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2jps s ILE 104 CO -0.09 0.47 0.47 0.00 0.00 0.00 0.00 174.94 175.79