#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 0.85 -4.09 6.12 2.88 -1.26 -4.94 113.62 113.18 2jps n SER 2 Ca 0.00 0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 57.30 2jps n SER 2 Cb 0.00 -0.28 -0.10 0.00 -0.75 0.00 0.00 64.21 63.08 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 -2.09 2.48 -0.18 -1.46 1.11 -1.26 -4.90 119.66 113.37 2jps s GLN 3 Ca -0.04 -2.48 -0.05 0.00 0.01 0.00 0.00 55.36 52.80 2jps s GLN 3 Cb 0.01 -3.70 -0.22 0.00 -1.01 0.00 0.00 33.01 28.09 2jps s GLN 3 CO 0.05 -1.16 0.12 0.39 0.01 0.00 0.00 175.29 174.70 2jps n GLU 4 N 3.56 0.70 -0.27 2.91 1.02 -1.26 -3.33 120.64 123.97 2jps n GLU 4 Ca 0.07 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.55 2jps n GLU 4 Cb 0.38 -1.64 0.34 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.07 0.75 -0.20 3.49 3.07 -2.00 0.24 115.11 120.39 2jps h GLN 5 Ca -0.49 -0.05 -0.20 0.00 0.09 0.00 0.00 58.65 58.01 2jps h GLN 5 Cb 1.92 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 29.32 2jps h GLN 5 CO -0.01 0.50 -0.67 1.88 0.09 0.00 0.00 178.83 180.61 2jps h TYR 6 N 0.77 1.03 -0.78 0.06 -1.99 -1.98 -2.40 116.97 111.68 2jps h TYR 6 Ca 0.43 -0.42 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 2jps h TYR 6 Cb 0.57 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.09 2jps h TYR 6 CO -0.00 1.24 0.38 1.15 -0.00 0.00 0.00 178.16 180.92 2jps h THR 7 N 0.57 1.25 -0.41 -2.88 2.02 -0.95 0.86 112.91 113.37 2jps h THR 7 Ca -0.02 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 2jps h THR 7 Cb 1.29 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2jps h THR 7 CO 0.14 0.29 -0.28 -0.33 0.37 0.00 0.00 175.52 175.71 2jps h GLU 8 N 1.10 0.90 -0.04 6.66 5.08 -0.60 0.13 114.58 127.81 2jps h GLU 8 Ca 0.27 -0.43 -0.23 0.00 -1.00 0.00 0.00 59.36 57.97 2jps h GLU 8 Cb 0.11 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jps h GLU 8 CO -0.03 1.08 -0.90 -0.91 -1.00 0.00 0.00 179.01 177.25 2jps h ASN 9 N 0.72 0.68 -0.25 1.42 4.21 -1.17 -3.15 115.58 118.04 2jps h ASN 9 Ca 0.08 -0.51 -0.12 0.00 1.21 0.00 0.00 56.30 56.96 2jps h ASN 9 Cb 0.86 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.84 2jps h ASN 9 CO 0.08 1.30 -0.26 0.25 -1.29 0.00 0.00 177.43 177.51 2jps h LEU 10 N 0.33 0.75 -1.72 1.61 5.85 0.81 -2.77 115.31 120.17 2jps h LEU 10 Ca -0.08 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2jps h LEU 10 Cb 1.53 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2jps h LEU 10 CO 0.17 0.98 0.22 0.50 -0.34 0.00 0.00 178.44 179.96 2jps h LYS 11 N 0.63 0.37 -0.02 1.25 3.64 -0.73 0.13 116.57 121.84 2jps h LYS 11 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2jps h LYS 11 Cb 0.77 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jps h LYS 11 CO 0.06 0.24 -0.05 0.28 -2.27 0.00 0.00 179.45 177.72 2jps h VAL 12 N 0.38 1.44 -0.44 2.00 2.07 -1.46 -2.38 116.25 117.86 2jps h VAL 12 Ca 0.13 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 2jps h VAL 12 Cb 0.06 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2jps h VAL 12 CO -0.03 0.36 0.06 0.40 0.02 0.00 0.00 177.57 178.38 2jps h ILE 13 N -0.46 1.21 -0.86 4.57 2.04 -1.32 -2.23 117.51 120.46 2jps h ILE 13 Ca 0.00 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2jps h ILE 13 Cb 0.62 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2jps h ILE 13 CO 0.01 0.29 0.45 0.58 0.00 0.00 0.00 178.15 179.49 2jps h VAL 14 N 0.66 1.26 0.00 1.67 2.07 -0.73 -1.73 116.25 119.44 2jps h VAL 14 Ca 0.14 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2jps h VAL 14 Cb 0.33 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jps h VAL 14 CO 0.01 0.29 -0.27 0.00 0.02 0.00 0.00 177.57 177.62 2jps h ALA 15 N 1.24 1.35 -0.84 1.67 0.00 -0.87 -1.39 119.26 120.42 2jps h ALA 15 Ca 0.30 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.11 2jps h ALA 15 Cb 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2jps h ALA 15 CO -0.04 0.34 0.43 1.49 0.00 0.00 0.00 179.25 181.46 2jps h GLU 16 N 0.00 0.62 0.12 0.00 4.81 -0.85 0.85 114.58 120.13 2jps h GLU 16 Ca -0.00 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 58.87 2jps h GLU 16 Cb 0.55 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jps h GLU 16 CO 0.03 0.41 -1.72 -0.22 -0.73 0.00 0.00 179.01 176.79 2jps h LYS 17 N 0.64 0.25 0.45 1.92 1.63 -1.59 -2.85 116.57 117.02 2jps h LYS 17 Ca 0.45 -0.43 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2jps h LYS 17 Cb 0.61 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.38 2jps h LYS 17 CO -0.35 1.21 -0.43 1.25 -3.45 0.00 0.00 179.45 177.68 2jps h LEU 18 N -0.15 -1.16 -1.76 5.20 5.85 -0.85 0.33 115.31 122.77 2jps h LEU 18 Ca -0.37 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2jps h LEU 18 Cb 1.89 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 43.30 2jps h LEU 18 CO 0.06 -0.59 -0.15 0.00 -0.34 0.00 0.00 178.44 177.42 2jps h ALA 19 N -0.58 1.61 -0.03 1.25 0.00 0.53 -2.57 119.26 119.48 2jps h ALA 19 Ca -0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2jps h ALA 19 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jps h ALA 19 CO -0.05 0.19 -0.76 0.78 0.00 0.00 0.00 179.25 179.41 2jps h GLY 20 N 0.55 0.22 -5.01 0.00 0.00 -1.05 -3.45 103.07 94.33 2jps h GLY 20 Ca -0.00 -0.33 -0.62 0.00 0.00 0.00 0.00 47.33 46.38 2jps h GLY 20 CO 0.02 0.30 0.58 1.39 0.00 0.00 0.00 176.54 178.83 2jps n ILE 21 N -3.74 0.38 0.25 2.60 5.41 0.11 -4.86 119.36 119.51 2jps n ILE 21 Ca -0.03 -0.10 0.13 0.00 1.00 0.00 0.00 62.75 63.76 2jps n ILE 21 Cb 0.72 -1.24 0.60 0.00 -0.71 0.00 0.00 39.64 39.02 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 4.75 0.00 -0.87 0.38 0.13 -1.89 -3.02 132.00 131.48 2jps h PRO 22 Ca -0.45 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 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 0.13 0.51 0.09 -0.23 0.00 0.00 178.00 179.29 2jps n ASN 23 N -3.32 4.46 -3.57 1.44 3.02 -1.26 -4.73 115.26 111.30 2jps n ASN 23 Ca -0.00 -3.69 -0.27 0.00 -0.03 0.00 0.00 54.58 50.59 2jps n ASN 23 Cb 0.35 -0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 2jps n ASN 23 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2jps n PHE 24 N -1.08 1.87 -0.07 3.10 3.01 -1.14 -4.90 117.46 118.25 2jps n PHE 24 Ca 0.55 -3.94 -0.20 0.00 1.01 0.00 0.00 57.45 54.88 2jps n PHE 24 Cb 1.30 -0.36 -0.13 0.00 -0.01 0.00 0.00 39.48 40.28 2jps n PHE 24 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2jps n ASN 25 N 1.82 2.05 -4.69 4.37 5.15 -1.26 -4.82 115.26 117.87 2jps n ASN 25 Ca 0.25 0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 54.02 2jps n ASN 25 Cb 0.42 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.98 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2jps s GLU 26 N -2.54 2.29 -1.43 1.20 -6.30 -1.26 -4.64 118.70 106.03 2jps s GLU 26 Ca -0.29 -1.57 -0.10 0.00 -2.50 0.00 0.00 54.97 50.51 2jps s GLU 26 Cb 0.08 -2.12 0.06 0.00 0.00 0.00 0.00 34.13 32.15 2jps s GLU 26 CO 0.67 0.16 0.67 -0.25 0.02 0.00 0.00 175.26 176.53 2jps n ASP 27 N -1.06 -4.66 -0.06 -1.70 8.00 -1.26 -4.87 116.55 110.94 2jps n ASP 27 Ca -0.04 -0.48 -0.12 0.00 0.71 0.00 0.00 54.79 54.86 2jps n ASP 27 Cb 0.61 -3.78 -0.14 0.00 -0.02 0.00 0.00 41.12 37.78 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 -4.31 1.54 -0.03 0.53 0.00 -1.26 -3.54 119.36 112.29 2jps n ILE 28 Ca -0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 62.75 61.80 2jps n ILE 28 Cb 0.56 -1.00 -0.06 0.00 0.00 0.00 0.00 39.64 39.14 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 0.01 0.79 -0.50 9.51 1.57 -1.95 -2.95 116.57 123.05 2jps h LYS 29 Ca -0.44 -0.63 -0.10 0.00 -1.87 0.00 0.00 60.65 57.61 2jps h LYS 29 Cb 2.08 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.50 2jps h LYS 29 CO 0.04 1.24 -0.07 1.88 -0.57 0.00 0.00 179.45 181.96 2jps h TYR 30 N 0.55 0.99 -0.98 -1.35 0.05 -1.98 -2.50 116.97 111.75 2jps h TYR 30 Ca -0.04 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.56 2jps h TYR 30 Cb 1.37 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 38.81 2jps h TYR 30 CO 0.08 0.93 0.63 0.28 -1.05 0.00 0.00 178.16 179.03 2jps h VAL 31 N 0.82 1.26 -0.31 -2.88 2.07 -1.60 0.23 116.25 115.84 2jps h VAL 31 Ca 0.14 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 2jps h VAL 31 Cb 0.59 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2jps h VAL 31 CO 0.04 0.26 0.01 0.00 0.02 0.00 0.00 177.57 177.90 2jps h ALA 32 N 1.35 0.42 -0.65 1.67 0.00 -1.32 0.15 119.26 120.87 2jps h ALA 32 Ca 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jps h ALA 32 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jps h ALA 32 CO -0.07 0.16 0.37 0.93 0.00 0.00 0.00 179.25 180.64 2jps h GLU 33 N 0.35 0.89 -0.63 0.00 5.08 -1.01 -0.53 114.58 118.73 2jps h GLU 33 Ca 0.09 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2jps h GLU 33 Cb 0.42 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2jps h GLU 33 CO 0.01 0.66 0.07 -0.92 -1.00 0.00 0.00 179.01 177.83 2jps h TYR 34 N 0.88 1.14 -0.57 4.33 3.20 -0.78 -0.93 116.97 124.23 2jps h TYR 34 Ca 0.23 -0.17 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2jps h TYR 34 Cb 0.01 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 2jps h TYR 34 CO -0.01 0.97 0.37 0.82 -1.64 0.00 0.00 178.16 178.67 2jps h ILE 35 N 0.97 1.11 -0.72 1.81 2.04 -0.14 -0.29 117.51 122.29 2jps h ILE 35 Ca 0.19 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 2jps h ILE 35 Cb 0.47 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jps h ILE 35 CO 0.02 0.14 0.21 0.58 0.00 0.00 0.00 178.15 179.09 2jps h VAL 36 N 0.74 1.26 -0.79 1.67 2.07 -0.82 0.41 116.25 120.79 2jps h VAL 36 Ca 0.22 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2jps h VAL 36 Cb -0.04 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2jps h VAL 36 CO -0.07 0.36 0.51 0.25 0.02 0.00 0.00 177.57 178.64 2jps h LEU 37 N 1.08 0.93 -0.31 2.57 5.85 -0.28 0.93 115.31 126.07 2jps h LEU 37 Ca 0.23 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 2jps h LEU 37 Cb 0.32 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2jps h LEU 37 CO -0.00 0.69 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.34 2jps h LEU 38 N 1.09 0.87 -0.51 2.25 3.38 -0.42 -1.77 115.31 120.19 2jps h LEU 38 Ca 0.29 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2jps h LEU 38 Cb -0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2jps h LEU 38 CO -0.06 1.18 -0.12 0.40 0.09 0.00 0.00 178.44 179.93 2jps h ILE 39 N 0.57 1.27 0.00 1.22 1.08 -0.03 0.35 117.51 121.97 2jps h ILE 39 Ca 0.04 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 2jps h ILE 39 Cb 0.97 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 2jps h ILE 39 CO 0.09 0.44 0.00 1.62 -0.69 0.00 0.00 178.15 179.61 2jps h VAL 40 N 0.84 0.00 0.00 1.67 3.04 0.90 -3.27 116.25 119.43 2jps h VAL 40 Ca 0.13 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2jps h VAL 40 Cb 0.69 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2jps h VAL 40 CO 0.05 0.00 -0.20 0.59 -1.01 0.00 0.00 177.57 177.00 2jps n ASN 41 N -2.35 1.37 0.00 3.17 3.02 -0.67 -4.95 115.26 114.84 2jps n ASN 41 Ca 0.03 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 2jps n ASN 41 Cb 0.32 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.82 -1.80 3.20 7.41 0.00 0.12 -4.98 105.19 108.32 2jps n GLY 42 Ca 0.09 0.79 -0.42 0.00 0.00 0.00 0.00 46.02 46.47 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 2.08 2.87 -0.02 0.00 -1.24 -4.39 105.19 104.49 2jps n GLY 43 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 5.91 1.43 0.44 2.61 -4.23 -1.26 -5.00 115.64 115.55 2jps s THR 44 Ca 0.60 -1.56 0.23 0.00 -1.18 0.00 0.00 61.69 59.79 2jps s THR 44 Cb 0.13 -1.95 0.43 0.00 1.34 0.00 0.00 72.50 72.45 2jps s THR 44 CO 0.16 -0.46 1.80 0.58 -0.54 0.00 0.00 174.62 176.17 2jps h VAL 45 N 6.58 0.53 0.21 2.29 2.07 -1.95 0.86 116.25 126.84 2jps h VAL 45 Ca -0.12 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jps h VAL 45 Cb 1.04 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2jps h VAL 45 CO 0.46 0.05 -0.10 -0.08 0.02 0.00 0.00 177.57 177.92 2jps h GLU 46 N 0.28 -0.28 -0.43 1.57 4.57 -1.97 0.70 114.58 119.01 2jps h GLU 46 Ca 0.55 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.67 2jps h GLU 46 Cb 1.62 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.26 2jps h GLU 46 CO -0.19 0.11 -0.06 1.03 -1.18 0.00 0.00 179.01 178.71 2jps h SER 47 N -0.87 0.72 -0.39 1.04 0.87 -1.76 -0.44 113.55 112.73 2jps h SER 47 Ca -0.03 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2jps h SER 47 Cb 0.51 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2jps h SER 47 CO 0.05 0.82 -0.07 0.58 -0.53 0.00 0.00 176.83 177.69 2jps h VAL 48 N 0.69 1.27 -0.33 2.23 2.07 0.69 -2.51 116.25 120.36 2jps h VAL 48 Ca 0.13 -1.13 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 2jps h VAL 48 Cb 0.50 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2jps h VAL 48 CO 0.03 0.38 -0.36 0.58 0.02 0.00 0.00 177.57 178.21 2jps h VAL 49 N 0.55 1.28 -0.44 2.57 2.07 -0.67 -2.83 116.25 118.78 2jps h VAL 49 Ca 0.10 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.13 2jps h VAL 49 Cb 0.57 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2jps h VAL 49 CO 0.03 0.50 0.29 -0.78 0.02 0.00 0.00 177.57 177.64 2jps h ASP 50 N 0.64 0.40 -0.41 0.57 1.82 -0.94 0.95 116.42 119.45 2jps h ASP 50 Ca 0.06 -0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 2jps h ASP 50 Cb 0.91 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2jps h ASP 50 CO 0.08 0.27 -0.20 -0.33 -1.61 0.00 0.00 179.24 177.45 2jps h GLU 51 N 0.46 0.90 0.02 0.28 3.07 -1.19 0.10 114.58 118.23 2jps h GLU 51 Ca 0.18 -0.37 -0.22 0.00 -0.50 0.00 0.00 59.36 58.45 2jps h GLU 51 Cb 0.15 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2jps h GLU 51 CO -0.04 1.02 -0.87 -0.07 -1.40 0.00 0.00 179.01 177.64 2jps h LEU 52 N 0.79 0.73 -1.27 1.33 -0.00 -1.35 -3.20 115.31 112.33 2jps h LEU 52 Ca 0.11 -0.77 -0.02 0.00 -0.00 0.00 0.00 57.88 57.20 2jps h LEU 52 Cb 0.75 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 2jps h LEU 52 CO 0.06 1.41 0.25 0.00 -0.00 0.00 0.00 178.44 180.16 2jps h ALA 53 N 0.33 1.44 -0.73 1.53 0.00 -0.77 1.11 119.26 122.17 2jps h ALA 53 Ca -0.12 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2jps h ALA 53 Cb 1.56 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2jps h ALA 53 CO 0.17 0.44 0.48 0.66 0.00 0.00 0.00 179.25 181.00 2jps h SER 54 N 0.76 0.70 0.01 0.00 4.64 -0.79 -2.69 113.55 116.18 2jps h SER 54 Ca 0.19 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.10 2jps h SER 54 Cb 0.09 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 61.96 2jps h SER 54 CO -0.02 0.46 -2.44 0.18 -0.87 0.00 0.00 176.83 174.14 2jps n LEU 55 N -4.47 2.67 -4.03 5.97 4.77 -0.83 -4.68 117.00 116.41 2jps n LEU 55 Ca 0.10 0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 2jps n LEU 55 Cb 0.20 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 2jps n LEU 55 CO 0.34 0.83 0.54 0.49 -1.33 0.00 0.00 177.39 178.25 2jps n PHE 56 N -3.55 3.91 -1.18 -1.77 3.72 0.38 -4.85 117.46 114.11 2jps n PHE 56 Ca -0.47 -3.79 -0.16 0.00 -0.05 0.00 0.00 57.45 52.97 2jps n PHE 56 Cb 0.96 -1.17 0.23 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.95 4.05 -0.10 4.37 2.03 -1.02 -4.26 116.55 123.56 2jps n ASP 57 Ca 0.24 -3.49 -0.19 0.00 0.52 0.00 0.00 54.79 51.88 2jps n ASP 57 Cb 0.37 -0.79 -0.12 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 -0.81 2.00 -4.83 1.67 7.64 -1.26 -4.96 113.62 113.07 2jps n SER 58 Ca 0.52 -0.06 -0.32 0.00 1.01 0.00 0.00 58.87 60.02 2jps n SER 58 Cb 1.54 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 64.23 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 4.31 0.31 0.44 0.11 -1.26 -4.97 120.40 116.80 2jps s VAL 59 Ca -0.32 0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 2jps s VAL 59 Cb 0.08 -3.62 -0.13 0.00 -1.53 0.00 0.00 36.38 31.19 2jps s VAL 59 CO 0.64 -0.76 1.27 -1.20 -3.33 0.00 0.00 175.10 171.72 2jps n SER 60 N -2.15 2.54 -0.21 3.54 7.64 -1.26 -4.85 113.62 118.87 2jps n SER 60 Ca 0.07 1.19 0.19 0.00 1.01 0.00 0.00 58.87 61.33 2jps n SER 60 Cb 0.54 -1.44 0.54 0.00 -1.01 0.00 0.00 64.21 62.83 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 2.81 0.34 -0.83 1.43 -0.00 -1.96 -0.60 114.38 115.58 2jps h ARG 61 Ca -0.45 -0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.09 2jps h ARG 61 Cb 1.29 -0.08 -0.05 0.00 0.00 0.00 0.00 29.97 31.13 2jps h ARG 61 CO 0.65 0.23 0.54 0.22 0.00 0.00 0.00 179.97 181.61 2jps h ASP 62 N 0.35 0.78 -0.50 7.04 3.58 -1.99 0.34 116.42 126.02 2jps h ASP 62 Ca 0.43 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.83 2jps h ASP 62 Cb 1.13 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2jps h ASP 62 CO -0.14 0.49 0.07 0.74 -2.88 0.00 0.00 179.24 177.52 2jps h THR 63 N 0.88 1.25 -0.29 2.25 2.02 -1.45 0.38 112.91 117.95 2jps h THR 63 Ca 0.37 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 2jps h THR 63 Cb 0.29 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2jps h THR 63 CO -0.14 0.34 -0.12 -0.07 0.37 0.00 0.00 175.52 175.90 2jps h LEU 64 N 0.72 0.62 -1.19 2.58 4.07 -1.36 -2.92 115.31 117.83 2jps h LEU 64 Ca 0.15 -0.40 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 2jps h LEU 64 Cb 0.42 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 2jps h LEU 64 CO 0.01 0.88 0.24 0.00 -1.08 0.00 0.00 178.44 178.49 2jps h ALA 65 N 0.76 1.36 -0.75 1.53 0.00 -0.82 -2.31 119.26 119.03 2jps h ALA 65 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jps h ALA 65 Cb 0.63 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jps h ALA 65 CO 0.04 0.49 0.49 -0.91 0.00 0.00 0.00 179.25 179.35 2jps h ASN 66 N 0.81 0.87 -0.05 0.00 2.35 -0.74 -0.51 115.58 118.31 2jps h ASN 66 Ca 0.20 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2jps h ASN 66 Cb 0.13 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 2jps h ASN 66 CO -0.02 0.64 -0.03 0.58 -1.65 0.00 0.00 177.43 176.95 2jps h VAL 67 N 1.02 1.34 -0.79 2.81 2.07 -1.28 -2.78 116.25 118.65 2jps h VAL 67 Ca 0.27 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.79 2jps h VAL 67 Cb -0.10 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2jps h VAL 67 CO -0.06 0.29 0.51 0.58 0.02 0.00 0.00 177.57 178.91 2jps h VAL 68 N -0.30 1.05 -0.37 2.57 2.07 -1.22 -0.46 116.25 119.60 2jps h VAL 68 Ca 0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jps h VAL 68 Cb 0.48 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2jps h VAL 68 CO 0.01 0.16 0.23 -0.61 0.02 0.00 0.00 177.57 177.37 2jps h GLN 69 N 0.87 0.50 -0.19 1.57 4.15 -0.93 -1.63 115.11 119.44 2jps h GLN 69 Ca 0.33 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.65 2jps h GLN 69 Cb 0.20 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 2jps h GLN 69 CO -0.11 0.35 -0.13 1.79 -1.93 0.00 0.00 178.83 178.79 2jps h THR 70 N 0.51 1.32 -0.80 2.39 1.35 -0.81 -1.85 112.91 115.02 2jps h THR 70 Ca 0.13 -1.24 0.02 0.00 -0.55 0.00 0.00 66.41 64.77 2jps h THR 70 Cb -0.03 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 2jps h THR 70 CO -0.03 0.37 0.53 0.00 -0.25 0.00 0.00 175.52 176.15 2jps h ALA 71 N 0.67 1.45 -0.03 6.62 0.00 -1.05 0.68 119.26 127.61 2jps h ALA 71 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jps h ALA 71 Cb 0.64 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jps h ALA 71 CO 0.04 0.49 0.00 0.74 0.00 0.00 0.00 179.25 180.52 2jps h PHE 72 N 1.06 0.06 -0.77 0.00 -1.00 -1.19 -1.25 116.94 113.84 2jps h PHE 72 Ca 0.30 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 2jps h PHE 72 Cb -0.08 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 2jps h PHE 72 CO -0.00 0.32 0.40 0.35 -1.61 0.00 0.00 178.31 177.77 2jps h PHE 73 N -0.22 1.07 -0.88 -0.55 3.57 -0.79 -2.35 116.94 116.79 2jps h PHE 73 Ca 0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jps h PHE 73 Cb 0.30 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 2jps h PHE 73 CO 0.02 0.76 0.56 0.00 -2.23 0.00 0.00 178.31 177.43 2jps h ALA 74 N 1.35 1.12 -0.96 2.41 0.00 0.63 -2.14 119.26 121.69 2jps h ALA 74 Ca 0.27 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2jps h ALA 74 Cb 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 2jps h ALA 74 CO -0.04 0.55 0.62 -0.07 0.00 0.00 0.00 179.25 180.31 2jps h LEU 75 N 1.20 1.00 -0.45 0.00 3.38 -0.68 0.11 115.31 119.88 2jps h LEU 75 Ca 0.32 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 2jps h LEU 75 Cb -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2jps h LEU 75 CO -0.07 0.66 -0.13 -0.08 0.09 0.00 0.00 178.44 178.91 2jps h GLU 76 N 1.15 0.88 -0.55 1.13 4.81 -1.29 -2.23 114.58 118.48 2jps h GLU 76 Ca 0.40 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2jps h GLU 76 Cb 0.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2jps h GLU 76 CO -0.14 0.99 -0.02 0.00 -0.73 0.00 0.00 179.01 179.11 2jps h ALA 77 N 0.86 0.74 -0.91 2.92 0.00 -0.83 -2.82 119.26 119.21 2jps h ALA 77 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jps h ALA 77 Cb 0.68 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jps h ALA 77 CO 0.05 0.58 0.59 -0.07 0.00 0.00 0.00 179.25 180.40 2jps h LEU 78 N 0.85 1.05 -1.80 0.00 -0.00 -0.68 -1.12 115.31 113.62 2jps h LEU 78 Ca 0.15 -0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 2jps h LEU 78 Cb 0.56 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2jps h LEU 78 CO 0.03 0.77 0.31 1.56 -0.00 0.00 0.00 178.44 181.12 2jps h GLN 79 N 1.24 0.23 0.00 1.13 7.50 -1.14 -3.19 115.11 120.88 2jps h GLN 79 Ca 0.33 -0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.43 2jps h GLN 79 Cb -0.13 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.34 2jps h GLN 79 CO -0.07 0.15 -0.52 0.37 -1.50 0.00 0.00 178.83 177.26 2jps h GLN 80 N 0.24 0.00 0.00 1.46 5.75 -1.32 -3.50 115.11 117.74 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 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2jps h GLN 80 CO -0.04 0.20 0.00 0.41 -2.65 0.00 0.00 178.83 176.75 2jps n GLY 81 N 1.62 -0.16 3.82 2.39 0.00 -0.51 -5.14 105.19 107.19 2jps n GLY 81 Ca -0.10 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 2.22 -0.11 1.61 2.02 -1.23 -5.02 118.70 118.19 2jps s GLU 82 Ca 0.00 -2.26 0.01 0.00 0.02 0.00 0.00 54.97 52.73 2jps s GLU 82 Cb 0.00 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 2jps s GLU 82 CO 0.00 -0.47 -0.13 -1.12 0.02 0.00 0.00 175.26 173.56 2jps s SER 83 N -4.04 4.07 -0.16 -0.19 0.01 -1.26 -4.97 113.70 107.16 2jps s SER 83 Ca 0.16 -0.27 0.12 0.00 1.31 0.00 0.00 55.95 57.27 2jps s SER 83 Cb -0.00 -1.39 -0.23 0.00 0.21 0.00 0.00 66.02 64.60 2jps s SER 83 CO 0.10 0.22 0.21 0.00 0.41 0.00 0.00 173.24 174.18 2jps n ALA 84 N 3.14 1.44 -0.28 1.44 0.00 -1.26 -4.33 120.51 120.66 2jps n ALA 84 Ca -0.18 -1.09 0.11 0.00 0.00 0.00 0.00 53.44 52.28 2jps n ALA 84 Cb 0.53 -0.39 0.36 0.00 0.00 0.00 0.00 19.45 19.94 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 0.01 0.72 -0.84 0.00 4.81 -1.95 -0.63 114.58 116.69 2jps h GLU 85 Ca -0.47 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 2jps h GLU 85 Cb 2.12 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 31.28 2jps h GLU 85 CO 0.03 0.47 0.55 -0.91 -0.73 0.00 0.00 179.01 178.42 2jps h ASN 86 N 0.74 0.82 -0.43 1.04 4.21 -2.02 -1.43 115.58 118.51 2jps h ASN 86 Ca 0.45 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.91 2jps h ASN 86 Cb 0.67 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2jps h ASN 86 CO -0.21 0.53 0.08 0.40 -1.29 0.00 0.00 177.43 176.94 2jps h ILE 87 N 0.93 1.23 -0.50 2.81 2.04 -1.34 -2.64 117.51 120.03 2jps h ILE 87 Ca 0.36 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2jps h ILE 87 Cb 0.22 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2jps h ILE 87 CO -0.13 0.31 0.16 0.58 0.00 0.00 0.00 178.15 179.07 2jps h VAL 88 N 0.74 1.20 -0.87 1.67 2.07 -1.21 -2.41 116.25 117.45 2jps h VAL 88 Ca 0.16 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.11 2jps h VAL 88 Cb 0.34 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 2jps h VAL 88 CO 0.01 0.25 0.52 -1.28 0.02 0.00 0.00 177.57 177.08 2jps h SER 89 N 0.72 0.77 0.09 0.57 0.87 -1.31 0.73 113.55 115.99 2jps h SER 89 Ca 0.17 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.61 2jps h SER 89 Cb 0.20 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2jps h SER 89 CO -0.01 0.45 -0.54 0.11 -0.53 0.00 0.00 176.83 176.31 2jps h LYS 90 N 0.88 0.48 -0.23 2.24 1.57 -1.51 -2.66 116.57 117.35 2jps h LYS 90 Ca 0.41 -0.30 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 2jps h LYS 90 Cb 0.32 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jps h LYS 90 CO -0.23 0.90 -0.61 0.82 -0.57 0.00 0.00 179.45 179.77 2jps h ILE 91 N 0.37 1.29 -0.73 1.86 1.08 -0.67 -1.99 117.51 118.72 2jps h ILE 91 Ca 0.01 -1.82 -0.01 0.00 -0.39 0.00 0.00 64.86 62.65 2jps h ILE 91 Cb 1.07 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.54 2jps h ILE 91 CO 0.10 0.58 0.41 -0.09 -0.69 0.00 0.00 178.15 178.45 2jps h ARG 92 N 0.57 1.00 -0.21 2.37 1.12 0.47 0.46 114.38 120.16 2jps h ARG 92 Ca -0.00 -0.11 -0.21 0.00 -1.11 0.00 0.00 59.98 58.55 2jps h ARG 92 Cb 1.20 -0.20 0.01 0.00 -0.01 0.00 0.00 29.97 30.97 2jps h ARG 92 CO 0.13 0.73 -0.69 1.98 -3.11 0.00 0.00 179.97 179.01 2jps h MET 93 N 1.01 0.84 -0.22 0.20 4.05 -1.39 -1.57 114.93 117.85 2jps h MET 93 Ca 0.26 -0.62 -0.15 0.00 -0.28 0.00 0.00 59.70 58.91 2jps h MET 93 Cb 0.01 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2jps h MET 93 CO -0.04 1.24 -0.48 1.98 0.23 0.00 0.00 176.91 179.83 2jps h MET 94 N 0.60 0.59 -0.24 0.39 1.85 -0.91 -2.08 114.93 115.14 2jps h MET 94 Ca -0.03 -0.34 -0.15 0.00 -0.61 0.00 0.00 59.70 58.57 2jps h MET 94 Cb 1.31 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.36 2jps h MET 94 CO 0.15 0.94 -0.46 -0.91 -0.40 0.00 0.00 176.91 176.22 2jps h ASN 95 N 0.47 0.67 -0.44 1.39 2.35 -0.08 -2.52 115.58 117.42 2jps h ASN 95 Ca 0.02 -0.32 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 2jps h ASN 95 Cb 1.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 2jps h ASN 95 CO 0.09 1.03 -0.25 0.00 -1.65 0.00 0.00 177.43 176.66 2jps h ALA 96 N 0.99 0.69 -0.74 -0.83 0.00 -1.19 -2.99 119.26 115.19 2jps h ALA 96 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2jps h ALA 96 Cb 1.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2jps h ALA 96 CO 0.09 0.67 0.27 0.37 0.00 0.00 0.00 179.25 180.66 2jps h GLN 97 N 0.82 1.12 -0.65 0.00 4.15 -1.30 0.85 115.11 120.11 2jps h GLN 97 Ca 0.10 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.34 2jps h GLN 97 Cb 0.82 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 2jps h GLN 97 CO 0.07 0.93 0.43 0.77 -1.93 0.00 0.00 178.83 179.10 2jps h SER 98 N 1.09 0.66 0.07 -0.69 0.02 -1.31 -3.14 113.55 110.25 2jps h SER 98 Ca 0.25 -0.01 -0.38 0.00 -0.84 0.00 0.00 61.79 60.81 2jps h SER 98 Cb 0.24 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2jps h SER 98 CO -0.02 0.45 -2.23 0.18 -1.14 0.00 0.00 176.83 174.08 2jps n LEU 99 N -4.46 2.67 0.00 5.07 4.77 -0.97 -5.05 117.00 119.03 2jps n LEU 99 Ca 0.08 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2jps n LEU 99 Cb 0.13 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2jps n LEU 99 CO 0.35 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 2jps n GLY 100 N 2.10 0.69 3.14 -0.72 0.00 0.29 -5.12 105.19 105.57 2jps n GLY 100 Ca -0.38 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -0.62 2.62 -1.44 1.61 -0.21 -0.85 -4.73 119.66 116.04 2jps s GLN 101 Ca 0.00 -1.10 -0.08 0.00 0.02 0.00 0.00 55.36 54.20 2jps s GLN 101 Cb 0.00 -2.90 0.05 0.00 1.00 0.00 0.00 33.01 31.16 2jps s GLN 101 CO 0.00 -0.45 0.82 0.45 -2.12 0.00 0.00 175.29 173.99 2jps n SER 102 N 4.58 -2.96 0.01 5.90 2.88 -1.26 -4.81 113.62 117.96 2jps n SER 102 Ca -0.16 -0.82 -0.03 0.00 -1.33 0.00 0.00 58.87 56.53 2jps n SER 102 Cb 0.45 -3.83 -0.01 0.00 -0.75 0.00 0.00 64.21 60.08 2jps n SER 102 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jps n ASP 103 N -2.93 0.95 -2.62 -3.46 8.00 -1.26 -4.90 116.55 110.33 2jps n ASP 103 Ca -0.12 0.13 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 2jps n ASP 103 Cb 0.60 -0.32 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2jps n ASP 103 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2jps n ILE 104 N -3.51 1.45 0.07 0.53 -5.35 -1.26 -5.22 119.36 106.07 2jps n ILE 104 Ca -0.05 -3.75 0.01 0.00 -0.27 0.00 0.00 62.75 58.69 2jps n ILE 104 Cb 0.24 -0.03 0.01 0.00 -1.74 0.00 0.00 39.64 38.12 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79