#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 -0.19 -3.14 6.12 2.88 -1.26 -5.01 113.62 113.01 2jps n SER 2 Ca 0.00 -1.47 -0.18 0.00 -1.33 0.00 0.00 58.87 55.89 2jps n SER 2 Cb 0.00 0.41 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jps n GLN 3 N -0.14 -2.06 -0.03 -1.46 3.00 -1.26 -4.94 117.38 110.50 2jps n GLN 3 Ca 0.01 1.74 -0.20 0.00 -0.01 0.00 0.00 57.00 58.55 2jps n GLN 3 Cb 0.13 -4.35 -0.14 0.00 0.00 0.00 0.00 30.24 25.89 2jps n GLN 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2jps n GLU 4 N -0.62 0.73 -0.28 -1.09 0.00 -1.26 -3.35 120.64 114.78 2jps n GLU 4 Ca 0.01 0.23 0.13 0.00 0.00 0.00 0.00 57.16 57.53 2jps n GLU 4 Cb 0.55 -1.67 0.38 0.00 0.00 0.00 0.00 31.44 30.71 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2jps h GLN 5 N 0.05 0.66 -0.06 5.31 3.07 -1.99 0.42 115.11 122.56 2jps h GLN 5 Ca -0.46 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.05 2jps h GLN 5 Cb 2.01 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 29.42 2jps h GLN 5 CO 0.05 0.44 -0.79 1.88 0.09 0.00 0.00 178.83 180.49 2jps h TYR 6 N 0.68 0.60 -0.52 0.06 -1.99 -1.96 -2.43 116.97 111.41 2jps h TYR 6 Ca 0.46 -0.28 -0.10 0.00 2.00 0.00 0.00 58.73 60.81 2jps h TYR 6 Cb 0.77 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.39 2jps h TYR 6 CO -0.00 1.06 -0.05 1.15 -0.00 0.00 0.00 178.16 180.32 2jps h THR 7 N 0.28 1.27 -0.45 -2.88 2.02 -0.60 0.95 112.91 113.49 2jps h THR 7 Ca -0.05 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 65.84 2jps h THR 7 Cb 1.39 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2jps h THR 7 CO 0.14 0.41 -0.17 -0.33 0.37 0.00 0.00 175.52 175.95 2jps h GLU 8 N 0.82 0.91 -0.02 6.66 5.08 -0.35 0.43 114.58 128.12 2jps h GLU 8 Ca 0.14 -0.38 -0.26 0.00 -1.00 0.00 0.00 59.36 57.87 2jps h GLU 8 Cb 0.60 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.83 2jps h GLU 8 CO 0.04 1.03 -1.00 -0.91 -1.00 0.00 0.00 179.01 177.16 2jps h ASN 9 N 0.75 0.88 -0.41 1.42 4.21 -1.32 -3.18 115.58 117.93 2jps h ASN 9 Ca 0.11 -0.69 -0.09 0.00 1.21 0.00 0.00 56.30 56.84 2jps h ASN 9 Cb 0.73 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 2jps h ASN 9 CO 0.06 1.49 -0.07 0.25 -1.29 0.00 0.00 177.43 177.86 2jps h LEU 10 N 0.40 0.83 -1.66 1.61 5.85 0.10 -2.54 115.31 119.90 2jps h LEU 10 Ca -0.12 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.46 2jps h LEU 10 Cb 1.65 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 2jps h LEU 10 CO 0.20 0.93 0.38 0.50 -0.34 0.00 0.00 178.44 180.11 2jps h LYS 11 N 0.77 0.38 -0.06 1.25 3.64 -0.12 0.42 116.57 122.85 2jps h LYS 11 Ca 0.13 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 2jps h LYS 11 Cb 0.57 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2jps h LYS 11 CO 0.03 0.25 -0.55 0.28 -2.27 0.00 0.00 179.45 177.19 2jps h VAL 12 N 0.39 1.39 -0.20 2.00 2.07 -1.45 -2.34 116.25 118.12 2jps h VAL 12 Ca 0.26 -1.93 -0.11 0.00 0.82 0.00 0.00 66.70 65.75 2jps h VAL 12 Cb 0.51 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2jps h VAL 12 CO -0.07 0.57 -0.33 0.40 0.02 0.00 0.00 177.57 178.16 2jps h ILE 13 N 0.04 1.29 -0.51 4.57 2.04 -1.07 -2.50 117.51 121.36 2jps h ILE 13 Ca -0.05 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 2jps h ILE 13 Cb 1.22 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 2jps h ILE 13 CO 0.11 0.43 -0.15 0.58 0.00 0.00 0.00 178.15 179.13 2jps h VAL 14 N 0.35 1.27 -0.19 1.67 2.07 -0.20 -2.88 116.25 118.34 2jps h VAL 14 Ca 0.04 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 2jps h VAL 14 Cb 0.76 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2jps h VAL 14 CO 0.06 0.46 -0.19 0.00 0.02 0.00 0.00 177.57 177.92 2jps h ALA 15 N 0.90 1.33 -0.83 1.67 0.00 -1.23 -2.77 119.26 118.33 2jps h ALA 15 Ca 0.13 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jps h ALA 15 Cb 0.72 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2jps h ALA 15 CO 0.06 0.45 0.54 1.49 0.00 0.00 0.00 179.25 181.79 2jps h GLU 16 N 0.30 0.54 0.01 0.00 4.81 -1.22 0.50 114.58 119.53 2jps h GLU 16 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2jps h GLU 16 Cb 0.51 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2jps h GLU 16 CO 0.03 0.36 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.20 2jps h LYS 17 N 0.56 0.02 -0.02 1.92 1.63 -1.56 -2.70 116.57 116.42 2jps h LYS 17 Ca 0.41 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2jps h LYS 17 Cb 0.79 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2jps h LYS 17 CO -0.17 1.01 0.01 -0.07 -3.45 0.00 0.00 179.45 176.79 2jps h LEU 18 N -0.96 0.02 -2.21 5.20 3.38 -1.30 0.88 115.31 120.33 2jps h LEU 18 Ca -0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2jps h LEU 18 Cb 1.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2jps h LEU 18 CO -0.03 0.09 -0.06 0.00 0.09 0.00 0.00 178.44 178.54 2jps h ALA 19 N 0.93 1.24 0.06 1.53 0.00 -0.15 -2.79 119.26 120.07 2jps h ALA 19 Ca 0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 2jps h ALA 19 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jps h ALA 19 CO -0.00 0.07 -1.60 0.78 0.00 0.00 0.00 179.25 178.50 2jps h GLY 20 N 0.63 0.14 -4.41 0.00 0.00 -1.01 -3.47 103.07 94.93 2jps h GLY 20 Ca -0.00 -0.36 -0.60 0.00 0.00 0.00 0.00 47.33 46.36 2jps h GLY 20 CO 0.01 0.32 0.10 1.39 0.00 0.00 0.00 176.54 178.35 2jps n ILE 21 N -3.29 2.02 -2.23 2.60 5.41 0.23 -4.93 119.36 119.19 2jps n ILE 21 Ca -0.17 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.75 2jps n ILE 21 Cb 1.03 -0.97 -0.00 0.00 -0.71 0.00 0.00 39.64 38.99 2jps n ILE 21 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jps s PRO 22 N -1.58 3.48 -1.52 0.38 0.04 -1.26 -3.33 135.00 131.20 2jps s PRO 22 Ca 0.59 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2jps s PRO 22 Cb -0.69 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2jps s PRO 22 CO 0.60 -0.69 0.00 -1.71 0.04 0.00 0.00 177.00 175.23 2jps n ASN 23 N -1.63 -4.66 -3.22 6.66 5.15 -1.26 -4.88 115.26 111.42 2jps n ASN 23 Ca 0.09 0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.96 2jps n ASN 23 Cb 0.53 -4.02 -0.03 0.00 -0.53 0.00 0.00 39.78 35.73 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jps n PHE 24 N -3.12 3.61 -1.54 1.20 7.35 -1.21 -4.82 117.46 118.93 2jps n PHE 24 Ca -0.18 -3.57 -0.27 0.00 -0.76 0.00 0.00 57.45 52.67 2jps n PHE 24 Cb 0.61 -0.72 0.09 0.00 0.35 0.00 0.00 39.48 39.81 2jps n PHE 24 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2jps n ASN 25 N -0.03 5.91 -3.72 -2.13 3.02 -1.26 -4.81 115.26 112.24 2jps n ASN 25 Ca 0.35 -3.76 -0.17 0.00 -0.03 0.00 0.00 54.58 50.97 2jps n ASN 25 Cb 0.35 -0.74 -0.16 0.00 -0.61 0.00 0.00 39.78 38.62 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jps s GLU 26 N -3.65 -0.03 -1.14 3.52 2.02 -1.26 -4.91 118.70 113.26 2jps s GLU 26 Ca 0.58 0.33 -0.19 0.00 0.02 0.00 0.00 54.97 55.70 2jps s GLU 26 Cb 0.47 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.35 2jps s GLU 26 CO 0.02 -0.24 0.80 -3.47 0.02 0.00 0.00 175.26 172.39 2jps n ASP 27 N 4.72 -5.34 -0.09 -0.19 -0.08 -1.26 -4.93 116.55 109.38 2jps n ASP 27 Ca -0.16 -0.99 -0.14 0.00 -1.51 0.00 0.00 54.79 51.99 2jps n ASP 27 Cb 0.50 -3.54 -0.14 0.00 2.34 0.00 0.00 41.12 40.28 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jps n ILE 28 N -4.11 1.48 0.09 5.18 0.00 -1.26 -3.41 119.36 117.33 2jps n ILE 28 Ca -0.09 -0.73 -0.18 0.00 0.00 0.00 0.00 62.75 61.75 2jps n ILE 28 Cb 0.59 -0.96 -0.14 0.00 0.00 0.00 0.00 39.64 39.13 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 0.01 0.30 0.00 9.51 3.64 -1.98 -3.01 116.57 125.04 2jps h LYS 29 Ca -0.52 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.34 2jps h LYS 29 Cb 2.08 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 34.10 2jps h LYS 29 CO -0.00 1.21 0.00 1.88 -2.27 0.00 0.00 179.45 180.27 2jps h TYR 30 N 0.08 0.00 0.07 1.91 0.05 -1.98 -2.94 116.97 114.17 2jps h TYR 30 Ca -0.19 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.31 2jps h TYR 30 Cb 2.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.74 2jps h TYR 30 CO 0.07 0.00 -1.40 -0.24 -1.05 0.00 0.00 178.16 175.54 2jps h VAL 31 N 0.00 1.28 -0.23 -2.88 3.04 -1.61 -3.23 116.25 112.61 2jps h VAL 31 Ca 0.00 -2.96 -0.19 0.00 -1.01 0.00 0.00 66.70 62.54 2jps h VAL 31 Cb 0.82 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 32.85 2jps h VAL 31 CO 0.00 0.82 -0.60 0.00 -1.01 0.00 0.00 177.57 176.78 2jps h ALA 32 N 0.69 0.50 -0.62 3.17 0.00 -1.53 -2.01 119.26 119.45 2jps h ALA 32 Ca -0.18 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jps h ALA 32 Cb 1.95 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 2jps h ALA 32 CO 0.15 0.69 0.39 1.05 0.00 0.00 0.00 179.25 181.52 2jps h GLU 33 N 0.58 0.83 -0.21 0.00 4.11 -1.63 0.23 114.58 118.48 2jps h GLU 33 Ca -0.00 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.19 2jps h GLU 33 Cb 1.20 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jps h GLU 33 CO 0.13 0.57 -0.55 -0.92 0.07 0.00 0.00 179.01 178.30 2jps h TYR 34 N 0.85 0.96 -0.67 2.06 3.20 -1.55 -1.29 116.97 120.52 2jps h TYR 34 Ca 0.22 -0.37 0.04 0.00 3.14 0.00 0.00 58.73 61.77 2jps h TYR 34 Cb -0.06 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 37.99 2jps h TYR 34 CO 0.00 1.18 0.40 0.82 -1.64 0.00 0.00 178.16 178.92 2jps h ILE 35 N 0.47 1.03 -0.53 1.81 2.04 -0.58 0.17 117.51 121.92 2jps h ILE 35 Ca -0.01 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2jps h ILE 35 Cb 1.17 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2jps h ILE 35 CO 0.12 0.14 0.06 0.58 0.00 0.00 0.00 178.15 179.04 2jps h VAL 36 N 0.76 1.26 -0.77 1.67 2.07 -0.91 -0.26 116.25 120.07 2jps h VAL 36 Ca 0.29 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2jps h VAL 36 Cb 0.11 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2jps h VAL 36 CO -0.14 0.36 0.50 0.25 0.02 0.00 0.00 177.57 178.55 2jps h LEU 37 N 0.77 0.83 -0.43 2.57 5.85 -0.17 0.70 115.31 125.42 2jps h LEU 37 Ca 0.16 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2jps h LEU 37 Cb 0.45 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2jps h LEU 37 CO 0.02 0.58 0.17 -0.07 -0.34 0.00 0.00 178.44 178.79 2jps h LEU 38 N 0.98 0.60 -0.64 2.25 3.38 -0.33 -0.10 115.31 121.44 2jps h LEU 38 Ca 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jps h LEU 38 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2jps h LEU 38 CO -0.10 0.60 0.35 0.40 0.09 0.00 0.00 178.44 179.78 2jps h ILE 39 N 0.55 1.21 0.00 1.22 1.08 -0.01 0.85 117.51 122.40 2jps h ILE 39 Ca 0.14 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2jps h ILE 39 Cb 0.19 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2jps h ILE 39 CO -0.01 0.23 0.00 0.58 -0.69 0.00 0.00 178.15 178.25 2jps h VAL 40 N 0.87 0.00 0.00 1.67 2.07 0.78 -3.22 116.25 118.42 2jps h VAL 40 Ca 0.22 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2jps h VAL 40 Cb 0.05 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2jps h VAL 40 CO -0.04 0.00 -0.33 0.59 0.02 0.00 0.00 177.57 177.82 2jps n ASN 41 N -2.85 1.40 0.00 0.57 3.02 -0.09 -4.73 115.26 112.59 2jps n ASN 41 Ca 0.01 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 2jps n ASN 41 Cb 0.28 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.76 -1.76 3.16 7.41 0.00 0.29 -4.97 105.19 108.56 2jps n GLY 42 Ca 0.11 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.43 2jps n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jps n GLY 43 N 0.00 2.26 2.89 -0.02 0.00 -1.24 -4.36 105.19 104.72 2jps n GLY 43 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 5.48 1.57 0.42 2.61 -4.23 -1.26 -5.00 115.64 115.23 2jps s THR 44 Ca 0.59 -1.77 0.20 0.00 -1.18 0.00 0.00 61.69 59.53 2jps s THR 44 Cb 0.14 -2.12 0.40 0.00 1.34 0.00 0.00 72.50 72.27 2jps s THR 44 CO 0.15 -0.55 1.79 0.58 -0.54 0.00 0.00 174.62 176.05 2jps h VAL 45 N 6.57 0.54 0.23 2.29 2.07 -1.94 0.89 116.25 126.89 2jps h VAL 45 Ca -0.10 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2jps h VAL 45 Cb 1.03 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2jps h VAL 45 CO 0.48 0.06 -0.11 -0.08 0.02 0.00 0.00 177.57 177.95 2jps h GLU 46 N 0.36 -0.29 -0.09 1.57 4.22 -1.97 0.32 114.58 118.69 2jps h GLU 46 Ca 0.57 0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.93 2jps h GLU 46 Cb 1.52 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 2jps h GLU 46 CO -0.25 0.08 -0.41 0.77 -2.18 0.00 0.00 179.01 177.02 2jps h SER 47 N -0.77 0.21 -0.16 1.04 0.02 -1.75 -1.15 113.55 110.99 2jps h SER 47 Ca -0.03 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.64 2jps h SER 47 Cb 0.51 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.99 2jps h SER 47 CO 0.05 0.61 -0.64 0.58 -1.14 0.00 0.00 176.83 176.29 2jps h VAL 48 N 0.17 1.31 -0.32 2.27 2.07 0.78 -2.97 116.25 119.55 2jps h VAL 48 Ca 0.01 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.53 2jps h VAL 48 Cb 0.81 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2jps h VAL 48 CO 0.06 0.59 -0.35 0.58 0.02 0.00 0.00 177.57 178.47 2jps h VAL 49 N 0.42 1.28 -0.09 2.57 2.07 -0.25 -2.74 116.25 119.51 2jps h VAL 49 Ca -0.04 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 65.99 2jps h VAL 49 Cb 1.27 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2jps h VAL 49 CO 0.13 0.49 0.07 -0.78 0.02 0.00 0.00 177.57 177.50 2jps h ASP 50 N 0.61 0.04 -0.11 0.57 1.82 -1.20 -0.94 116.42 117.21 2jps h ASP 50 Ca 0.06 -0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.47 2jps h ASP 50 Cb 0.89 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.90 2jps h ASP 50 CO 0.08 0.03 -0.80 -0.33 -1.61 0.00 0.00 179.24 176.61 2jps h GLU 51 N 0.05 0.77 -0.08 0.28 5.08 -1.32 -1.97 114.58 117.39 2jps h GLU 51 Ca 0.04 -0.65 -0.15 0.00 -1.00 0.00 0.00 59.36 57.60 2jps h GLU 51 Cb 0.11 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jps h GLU 51 CO -0.00 1.25 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.56 2jps h LEU 52 N 0.52 0.35 -0.46 1.33 -0.00 -1.32 -3.02 115.31 112.70 2jps h LEU 52 Ca -0.06 -0.20 -0.16 0.00 -0.00 0.00 0.00 57.88 57.46 2jps h LEU 52 Cb 1.43 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2jps h LEU 52 CO 0.16 0.88 -0.50 0.00 -0.00 0.00 0.00 178.44 178.99 2jps h ALA 53 N 1.12 0.63 -0.53 1.53 0.00 -1.19 1.07 119.26 121.90 2jps h ALA 53 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jps h ALA 53 Cb 1.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2jps h ALA 53 CO 0.10 0.68 0.30 1.03 0.00 0.00 0.00 179.25 181.36 2jps h SER 54 N 0.56 0.64 0.04 0.00 0.87 -1.29 -2.67 113.55 111.71 2jps h SER 54 Ca 0.02 -0.04 -0.38 0.00 -1.23 0.00 0.00 61.79 60.16 2jps h SER 54 Cb 1.06 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 2jps h SER 54 CO 0.10 0.51 -2.28 0.18 -0.53 0.00 0.00 176.83 174.81 2jps n LEU 55 N -4.41 2.73 -3.99 2.23 4.77 -1.15 -4.64 117.00 112.54 2jps n LEU 55 Ca 0.05 0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 2jps n LEU 55 Cb 0.09 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 2jps n LEU 55 CO 0.36 0.85 0.52 0.49 -1.33 0.00 0.00 177.39 178.29 2jps n PHE 56 N -3.47 3.82 -1.14 -1.77 3.72 0.37 -4.86 117.46 114.13 2jps n PHE 56 Ca -0.42 -3.78 -0.17 0.00 -0.05 0.00 0.00 57.45 53.04 2jps n PHE 56 Cb 0.98 -1.13 0.23 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.87 4.21 -0.09 4.37 2.03 -1.01 -4.32 116.55 123.62 2jps n ASP 57 Ca 0.24 -3.44 -0.17 0.00 0.52 0.00 0.00 54.79 51.94 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.73 1.69 -4.89 1.67 3.41 -1.26 -4.96 113.62 108.56 2jps n SER 58 Ca 0.52 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.82 2jps n SER 58 Cb 1.56 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jps s VAL 59 N -2.53 4.86 0.44 -3.33 0.11 -1.26 -5.02 120.40 113.67 2jps s VAL 59 Ca -0.27 0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 58.94 2jps s VAL 59 Cb 0.08 -3.78 -0.10 0.00 -1.53 0.00 0.00 36.38 31.06 2jps s VAL 59 CO 0.68 -0.60 1.11 -1.20 -3.33 0.00 0.00 175.10 171.76 2jps n SER 60 N -1.56 1.73 -0.17 3.54 7.64 -1.26 -4.85 113.62 118.69 2jps n SER 60 Ca 0.01 1.04 0.17 0.00 1.01 0.00 0.00 58.87 61.11 2jps n SER 60 Cb 0.54 -1.42 0.53 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.64 0.35 -0.95 1.43 2.47 -1.95 -1.09 114.38 116.28 2jps h ARG 61 Ca -0.46 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.32 2jps h ARG 61 Cb 1.32 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 29.50 2jps h ARG 61 CO 0.57 0.23 0.61 -0.44 0.56 0.00 0.00 179.97 181.51 2jps h ASP 62 N 0.36 0.93 -0.55 7.04 3.32 -1.99 0.04 116.42 125.57 2jps h ASP 62 Ca 0.39 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 2jps h ASP 62 Cb 0.99 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2jps h ASP 62 CO -0.12 0.57 0.19 0.74 -1.72 0.00 0.00 179.24 178.91 2jps h THR 63 N 1.04 1.23 -0.17 0.35 2.02 -1.54 -0.09 112.91 115.76 2jps h THR 63 Ca 0.42 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2jps h THR 63 Cb 0.27 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2jps h THR 63 CO -0.18 0.29 0.02 -0.07 0.37 0.00 0.00 175.52 175.95 2jps h LEU 64 N 0.77 0.27 -1.34 2.58 4.07 -1.32 -2.77 115.31 117.57 2jps h LEU 64 Ca 0.18 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.90 2jps h LEU 64 Cb 0.25 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 2jps h LEU 64 CO -0.01 0.47 0.47 0.00 -1.08 0.00 0.00 178.44 178.29 2jps h ALA 65 N 0.81 1.58 -0.54 1.53 0.00 -0.85 -1.71 119.26 120.08 2jps h ALA 65 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jps h ALA 65 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2jps h ALA 65 CO 0.00 0.36 0.36 -0.91 0.00 0.00 0.00 179.25 179.06 2jps h ASN 66 N 0.87 0.58 -0.03 0.00 4.21 -0.73 0.50 115.58 120.99 2jps h ASN 66 Ca 0.28 -0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.53 2jps h ASN 66 Cb 0.03 -0.14 0.02 0.00 -1.12 0.00 0.00 38.32 37.11 2jps h ASN 66 CO -0.08 0.41 -0.94 0.58 -1.29 0.00 0.00 177.43 176.11 2jps h VAL 67 N 0.68 1.28 -0.11 2.81 2.07 -1.19 -2.40 116.25 119.39 2jps h VAL 67 Ca 0.21 -2.16 -0.16 0.00 0.82 0.00 0.00 66.70 65.41 2jps h VAL 67 Cb -0.00 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2jps h VAL 67 CO -0.05 0.67 -0.62 0.58 0.02 0.00 0.00 177.57 178.18 2jps h VAL 68 N 0.44 1.36 -0.67 2.57 2.07 -1.10 -2.77 116.25 118.15 2jps h VAL 68 Ca -0.10 -1.96 -0.08 0.00 0.82 0.00 0.00 66.70 65.39 2jps h VAL 68 Cb 1.59 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 2jps h VAL 68 CO 0.19 0.59 0.13 -0.61 0.02 0.00 0.00 177.57 177.88 2jps h GLN 69 N 0.28 1.10 -0.01 1.57 4.15 0.01 -2.30 115.11 119.91 2jps h GLN 69 Ca -0.01 -0.28 -0.10 0.00 0.77 0.00 0.00 58.65 59.03 2jps h GLN 69 Cb 1.15 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2jps h GLN 69 CO 0.10 0.99 -0.48 0.00 -1.93 0.00 0.00 178.83 177.52 2jps h THR 70 N 1.03 1.34 -0.17 2.39 1.03 -1.36 -2.78 112.91 114.39 2jps h THR 70 Ca 0.21 -1.64 -0.14 0.00 -0.01 0.00 0.00 66.41 64.83 2jps h THR 70 Cb 0.41 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 2jps h THR 70 CO 0.01 0.47 -0.49 0.00 -0.01 0.00 0.00 175.52 175.50 2jps h ALA 71 N 1.50 0.84 -0.02 0.00 0.00 -1.18 -1.59 119.26 118.81 2jps h ALA 71 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jps h ALA 71 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jps h ALA 71 CO 0.06 0.66 0.01 0.74 0.00 0.00 0.00 179.25 180.72 2jps h PHE 72 N 0.37 0.03 -0.93 0.00 -1.00 -1.19 -1.93 116.94 112.29 2jps h PHE 72 Ca 0.02 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2jps h PHE 72 Cb 0.99 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 2jps h PHE 72 CO 0.03 0.23 0.60 0.74 -1.61 0.00 0.00 178.31 178.31 2jps h PHE 73 N -0.18 1.19 -0.96 -0.55 0.04 -1.46 -1.96 116.94 113.06 2jps h PHE 73 Ca 0.01 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.83 2jps h PHE 73 Cb 0.22 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 2jps h PHE 73 CO -0.00 0.77 0.63 0.00 -0.60 0.00 0.00 178.31 179.10 2jps h ALA 74 N 1.39 1.37 -0.97 2.45 0.00 -1.00 -1.71 119.26 120.79 2jps h ALA 74 Ca 0.34 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2jps h ALA 74 Cb -0.12 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.26 2jps h ALA 74 CO -0.07 0.54 0.62 -0.07 0.00 0.00 0.00 179.25 180.27 2jps h LEU 75 N 1.22 1.00 -0.35 0.00 -0.00 -0.55 0.35 115.31 116.98 2jps h LEU 75 Ca 0.38 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 58.11 2jps h LEU 75 Cb -0.01 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2jps h LEU 75 CO -0.11 0.65 -0.39 -0.08 -0.00 0.00 0.00 178.44 178.50 2jps h GLU 76 N 1.14 0.89 -0.50 1.13 4.81 -1.27 -2.25 114.58 118.54 2jps h GLU 76 Ca 0.41 -0.49 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 2jps h GLU 76 Cb 0.14 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2jps h GLU 76 CO -0.17 1.13 -0.13 0.00 -0.73 0.00 0.00 179.01 179.12 2jps h ALA 77 N 0.74 0.84 -0.74 2.92 0.00 -0.54 -2.89 119.26 119.59 2jps h ALA 77 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 77 Cb 0.99 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2jps h ALA 77 CO 0.10 0.65 0.24 -0.07 0.00 0.00 0.00 179.25 180.17 2jps h LEU 78 N 0.83 1.06 -1.93 0.00 3.38 -0.26 0.21 115.31 118.60 2jps h LEU 78 Ca 0.13 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jps h LEU 78 Cb 0.67 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2jps h LEU 78 CO 0.05 0.98 0.16 1.56 0.09 0.00 0.00 178.44 181.27 2jps h GLN 79 N 1.10 0.08 0.10 1.13 4.20 -1.19 -2.91 115.11 117.62 2jps h GLN 79 Ca 0.24 -0.01 -0.37 0.00 0.06 0.00 0.00 58.65 58.58 2jps h GLN 79 Cb 0.29 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2jps h GLN 79 CO -0.01 0.06 -2.05 0.94 -0.67 0.00 0.00 178.83 177.09 2jps n GLN 80 N -4.49 0.74 0.00 1.46 7.27 -0.90 -5.03 117.38 116.44 2jps n GLN 80 Ca 0.02 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.34 2jps n GLN 80 Cb 0.24 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.21 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 2.02 0.31 3.66 1.69 0.00 0.01 -5.13 105.19 107.75 2jps n GLY 81 Ca -0.33 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 2.11 -0.09 1.61 2.56 -1.10 -4.96 118.70 118.84 2jps s GLU 82 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 54.97 53.15 2jps s GLU 82 Cb 0.00 -1.91 -0.02 0.00 2.00 0.00 0.00 34.13 34.20 2jps s GLU 82 CO 0.00 0.03 -0.11 -1.12 -0.56 0.00 0.00 175.26 173.50 2jps s SER 83 N -3.77 4.27 -0.21 -1.70 0.01 -1.26 -4.91 113.70 106.12 2jps s SER 83 Ca 0.37 -0.19 0.14 0.00 1.31 0.00 0.00 55.95 57.58 2jps s SER 83 Cb 0.03 -1.29 -0.23 0.00 0.21 0.00 0.00 66.02 64.74 2jps s SER 83 CO 0.20 0.27 0.02 0.00 0.41 0.00 0.00 173.24 174.14 2jps n ALA 84 N 2.83 1.48 -0.26 1.44 0.00 -1.26 -4.42 120.51 120.32 2jps n ALA 84 Ca -0.18 -1.28 0.05 0.00 0.00 0.00 0.00 53.44 52.03 2jps n ALA 84 Cb 0.53 -0.18 0.28 0.00 0.00 0.00 0.00 19.45 20.07 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 0.91 -0.82 0.00 4.39 -1.95 -1.74 114.58 115.37 2jps h GLU 85 Ca -0.55 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.16 2jps h GLU 85 Cb 2.17 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 30.56 2jps h GLU 85 CO 0.01 0.60 0.54 -0.91 -1.16 0.00 0.00 179.01 178.08 2jps h ASN 86 N 0.94 0.79 -0.36 1.42 4.21 -2.02 -1.21 115.58 119.35 2jps h ASN 86 Ca 0.36 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.80 2jps h ASN 86 Cb 0.20 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2jps h ASN 86 CO -0.13 0.51 -0.03 0.40 -1.29 0.00 0.00 177.43 176.89 2jps h ILE 87 N 0.89 1.24 -0.78 2.81 2.04 -1.55 -2.70 117.51 119.47 2jps h ILE 87 Ca 0.35 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2jps h ILE 87 Cb 0.24 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2jps h ILE 87 CO -0.13 0.36 0.51 0.58 0.00 0.00 0.00 178.15 179.47 2jps h VAL 88 N 0.70 1.16 -0.86 1.67 2.07 -1.15 -1.78 116.25 118.06 2jps h VAL 88 Ca 0.13 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.38 2jps h VAL 88 Cb 0.47 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2jps h VAL 88 CO 0.02 0.18 0.52 -1.28 0.02 0.00 0.00 177.57 177.04 2jps h SER 89 N 1.01 0.79 0.10 0.57 0.87 -1.33 0.67 113.55 116.23 2jps h SER 89 Ca 0.30 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.74 2jps h SER 89 Cb -0.04 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2jps h SER 89 CO -0.08 0.48 -0.52 0.11 -0.53 0.00 0.00 176.83 176.29 2jps h LYS 90 N 0.92 0.47 -0.27 2.24 1.79 -1.40 -2.60 116.57 117.71 2jps h LYS 90 Ca 0.39 -0.28 -0.19 0.00 -2.18 0.00 0.00 60.65 58.39 2jps h LYS 90 Cb 0.26 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2jps h LYS 90 CO -0.20 0.88 -0.58 0.82 -1.08 0.00 0.00 179.45 179.28 2jps h ILE 91 N 0.36 1.28 -0.68 1.86 1.08 -0.37 -2.02 117.51 119.02 2jps h ILE 91 Ca 0.01 -1.77 -0.02 0.00 -0.39 0.00 0.00 64.86 62.70 2jps h ILE 91 Cb 1.04 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.44 2jps h ILE 91 CO 0.09 0.57 0.36 -0.09 -0.69 0.00 0.00 178.15 178.40 2jps h ARG 92 N 0.64 0.94 -0.19 2.37 2.43 0.35 0.83 114.38 121.76 2jps h ARG 92 Ca 0.01 -0.11 -0.21 0.00 -0.81 0.00 0.00 59.98 58.86 2jps h ARG 92 Cb 1.19 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2jps h ARG 92 CO 0.13 0.70 -0.71 1.98 -1.51 0.00 0.00 179.97 180.56 2jps h MET 93 N 0.95 0.80 -0.09 0.20 4.05 -1.38 0.87 114.93 120.32 2jps h MET 93 Ca 0.24 -0.61 -0.21 0.00 -0.28 0.00 0.00 59.70 58.84 2jps h MET 93 Cb 0.04 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2jps h MET 93 CO -0.04 1.22 -0.80 1.98 0.23 0.00 0.00 176.91 179.50 2jps h MET 94 N 0.56 0.60 -0.09 0.39 4.05 -0.94 -1.83 114.93 117.66 2jps h MET 94 Ca -0.03 -0.52 -0.17 0.00 -0.28 0.00 0.00 59.70 58.70 2jps h MET 94 Cb 1.34 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.25 2jps h MET 94 CO 0.15 1.14 -0.68 -0.91 0.23 0.00 0.00 176.91 176.84 2jps h ASN 95 N 0.39 0.46 -0.14 1.39 2.35 0.67 -2.52 115.58 118.19 2jps h ASN 95 Ca -0.05 -0.29 -0.16 0.00 -0.55 0.00 0.00 56.30 55.25 2jps h ASN 95 Cb 1.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 2jps h ASN 95 CO 0.15 1.01 -0.49 0.00 -1.65 0.00 0.00 177.43 176.45 2jps h ALA 96 N 0.99 0.65 -0.58 -0.83 0.00 -0.81 -2.97 119.26 115.71 2jps h ALA 96 Ca -0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2jps h ALA 96 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jps h ALA 96 CO 0.12 0.68 -0.03 0.37 0.00 0.00 0.00 179.25 180.38 2jps h GLN 97 N 0.56 1.04 -0.67 0.00 4.15 -1.29 -2.77 115.11 116.13 2jps h GLN 97 Ca 0.03 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 59.11 2jps h GLN 97 Cb 1.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 2jps h GLN 97 CO 0.10 1.03 0.44 0.77 -1.93 0.00 0.00 178.83 179.24 2jps h SER 98 N 0.94 0.77 -0.17 -0.69 0.02 -1.38 -2.75 113.55 110.29 2jps h SER 98 Ca 0.16 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2jps h SER 98 Cb 0.58 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2jps h SER 98 CO 0.03 0.56 0.01 0.25 -1.14 0.00 0.00 176.83 176.54 2jps h LEU 99 N 0.90 0.29 0.00 5.07 6.46 -1.33 -3.48 115.31 123.23 2jps h LEU 99 Ca 0.24 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2jps h LEU 99 Cb -0.10 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2jps h LEU 99 CO -0.05 0.52 0.00 0.61 -0.62 0.00 0.00 178.44 178.90 2jps n GLY 100 N -0.33 1.70 3.28 3.75 0.00 -1.04 -5.03 105.19 107.52 2jps n GLY 100 Ca -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.62 -3.06 1.61 7.27 -1.26 -4.07 117.38 116.26 2jps n GLN 101 Ca 0.00 1.39 -0.16 0.00 0.07 0.00 0.00 57.00 58.30 2jps n GLN 101 Cb 0.00 -4.41 0.02 0.00 2.41 0.00 0.00 30.24 28.26 2jps n GLN 101 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2jps n SER 102 N -1.62 -7.13 0.13 1.69 7.64 -1.26 -4.99 113.62 108.09 2jps n SER 102 Ca -0.08 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2jps n SER 102 Cb 0.57 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jps n ASP 103 N 0.02 -0.02 -4.09 6.43 -0.08 -1.26 -5.13 116.55 112.42 2jps n ASP 103 Ca 0.03 0.44 -0.15 0.00 -1.51 0.00 0.00 54.79 53.60 2jps n ASP 103 Cb 0.47 0.31 -0.12 0.00 2.34 0.00 0.00 41.12 44.12 2jps n ASP 103 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2jps s ILE 104 N -2.00 0.75 0.00 5.18 -4.36 -1.26 -5.19 121.20 114.32 2jps s ILE 104 Ca 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 2jps s ILE 104 Cb 0.00 -0.76 0.00 0.00 1.25 0.00 0.00 42.46 42.95 2jps s ILE 104 CO 0.00 -0.26 0.12 0.00 0.24 0.00 0.00 174.94 175.04