#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 0.00 -2.11 6.12 7.64 -1.26 -5.07 113.62 118.94 2jps n SER 2 Ca 0.00 -0.53 -0.26 0.00 1.01 0.00 0.00 58.87 59.08 2jps n SER 2 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2jps n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jps n GLN 3 N 0.00 3.42 -0.15 1.43 1.13 -1.26 -4.79 117.38 117.17 2jps n GLN 3 Ca 0.00 -4.01 0.07 0.00 -1.94 0.00 0.00 57.00 51.12 2jps n GLN 3 Cb 0.00 -2.28 0.38 0.00 0.11 0.00 0.00 30.24 28.45 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 2.17 0.66 -0.90 -1.09 4.11 -1.98 -1.31 114.58 116.24 2jps h GLU 4 Ca 0.42 -0.04 0.13 0.00 0.07 0.00 0.00 59.36 59.94 2jps h GLU 4 Cb 1.35 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 2jps h GLU 4 CO 0.94 0.44 0.58 -0.56 0.07 0.00 0.00 179.01 180.47 2jps h GLN 5 N 0.68 0.74 -0.02 1.06 3.07 -1.99 0.76 115.11 119.40 2jps h GLN 5 Ca 0.29 -0.04 -0.25 0.00 0.09 0.00 0.00 58.65 58.73 2jps h GLN 5 Cb 0.27 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 27.68 2jps h GLN 5 CO -0.09 0.49 -0.98 1.88 0.09 0.00 0.00 178.83 180.21 2jps h TYR 6 N 0.76 0.92 -0.66 0.06 -1.99 -1.65 -2.51 116.97 111.89 2jps h TYR 6 Ca 0.44 -0.49 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 2jps h TYR 6 Cb 0.63 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.22 2jps h TYR 6 CO -0.00 1.32 0.16 1.15 -0.00 0.00 0.00 178.16 180.79 2jps h THR 7 N 0.36 1.26 -0.53 -2.88 2.02 -0.41 0.84 112.91 113.57 2jps h THR 7 Ca -0.11 -0.94 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 2jps h THR 7 Cb 1.63 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2jps h THR 7 CO 0.19 0.36 -0.07 -0.33 0.37 0.00 0.00 175.52 176.03 2jps h GLU 8 N 0.98 0.98 -0.04 6.66 5.08 0.41 0.57 114.58 129.22 2jps h GLU 8 Ca 0.21 -0.35 -0.24 0.00 -1.00 0.00 0.00 59.36 57.98 2jps h GLU 8 Cb 0.36 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.56 2jps h GLU 8 CO 0.00 1.02 -0.90 -0.91 -1.00 0.00 0.00 179.01 177.22 2jps h ASN 9 N 0.85 0.87 -0.25 1.42 4.21 -1.23 -3.13 115.58 118.31 2jps h ASN 9 Ca 0.14 -0.71 -0.10 0.00 1.21 0.00 0.00 56.30 56.84 2jps h ASN 9 Cb 0.63 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 2jps h ASN 9 CO 0.04 1.46 -0.17 0.25 -1.29 0.00 0.00 177.43 177.72 2jps h LEU 10 N 0.37 0.69 -1.54 1.61 5.85 0.80 -2.68 115.31 120.41 2jps h LEU 10 Ca -0.10 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2jps h LEU 10 Cb 1.56 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 2jps h LEU 10 CO 0.18 0.87 0.38 0.50 -0.34 0.00 0.00 178.44 180.02 2jps h LYS 11 N 0.62 0.56 -0.27 1.25 3.11 0.17 0.78 116.57 122.79 2jps h LYS 11 Ca 0.10 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 57.74 2jps h LYS 11 Cb 0.63 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 2jps h LYS 11 CO 0.04 0.37 -0.47 0.28 -2.81 0.00 0.00 179.45 176.87 2jps h VAL 12 N 0.58 1.29 -0.39 2.00 2.07 -1.43 0.34 116.25 120.72 2jps h VAL 12 Ca 0.24 -1.67 -0.13 0.00 0.82 0.00 0.00 66.70 65.96 2jps h VAL 12 Cb 0.22 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2jps h VAL 12 CO -0.07 0.54 -0.29 0.40 0.02 0.00 0.00 177.57 178.17 2jps h ILE 13 N 0.55 1.27 -0.29 4.57 2.04 -1.22 -1.76 117.51 122.68 2jps h ILE 13 Ca 0.02 -1.44 -0.14 0.00 1.00 0.00 0.00 64.86 64.29 2jps h ILE 13 Cb 1.08 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2jps h ILE 13 CO 0.11 0.48 -0.38 0.58 0.00 0.00 0.00 178.15 178.94 2jps h VAL 14 N 0.72 1.30 -0.50 1.67 2.07 -0.84 -2.98 116.25 117.68 2jps h VAL 14 Ca 0.08 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 2jps h VAL 14 Cb 0.84 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2jps h VAL 14 CO 0.07 0.51 0.29 0.00 0.02 0.00 0.00 177.57 178.46 2jps h ALA 15 N 0.69 1.57 -0.93 1.67 0.00 -0.82 -2.02 119.26 119.41 2jps h ALA 15 Ca 0.03 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.03 2jps h ALA 15 Cb 0.97 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2jps h ALA 15 CO 0.09 0.37 0.60 1.49 0.00 0.00 0.00 179.25 181.80 2jps h GLU 16 N 0.69 0.69 0.07 0.00 4.81 -1.16 0.79 114.58 120.47 2jps h GLU 16 Ca 0.18 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jps h GLU 16 Cb -0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2jps h GLU 16 CO -0.03 0.46 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.45 2jps h LYS 17 N 0.71 -0.09 -0.50 1.92 1.63 -1.44 -1.68 116.57 117.12 2jps h LYS 17 Ca 0.49 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.35 2jps h LYS 17 Cb 0.79 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.39 2jps h LYS 17 CO -0.25 0.41 0.22 -0.07 -3.45 0.00 0.00 179.45 176.32 2jps h LEU 18 N -0.94 0.28 -1.58 5.20 4.07 -1.15 0.90 115.31 122.10 2jps h LEU 18 Ca -0.01 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 2jps h LEU 18 Cb 0.54 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 2jps h LEU 18 CO 0.02 0.20 -0.20 0.00 -1.08 0.00 0.00 178.44 177.37 2jps h ALA 19 N 1.30 1.25 0.07 1.53 0.00 0.49 -3.10 119.26 120.79 2jps h ALA 19 Ca 0.23 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 19 Cb 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jps h ALA 19 CO -0.19 0.25 -1.85 0.41 0.00 0.00 0.00 179.25 177.87 2jps n GLY 20 N -0.45 -0.78 3.61 0.00 0.00 -0.23 -4.91 105.19 102.44 2jps n GLY 20 Ca -0.01 -0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 2jps n GLY 20 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jps n ILE 21 N -3.27 1.55 -1.88 -0.61 5.41 0.30 -4.94 119.36 115.92 2jps n ILE 21 Ca -0.24 -0.39 -0.32 0.00 1.00 0.00 0.00 62.75 62.80 2jps n ILE 21 Cb 1.05 -1.08 0.03 0.00 -0.71 0.00 0.00 39.64 38.92 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 -1.10 3.11 -2.08 0.38 0.04 -1.26 -3.36 135.00 130.73 2jps s PRO 22 Ca 0.64 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2jps s PRO 22 Cb -0.72 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2jps s PRO 22 CO 0.57 -0.98 0.00 -1.71 0.04 0.00 0.00 177.00 174.92 2jps n ASN 23 N -2.34 -5.44 -3.47 6.66 5.15 -1.26 -4.91 115.26 109.65 2jps n ASN 23 Ca 0.09 0.41 -0.29 0.00 -0.60 0.00 0.00 54.58 54.19 2jps n ASN 23 Cb 0.53 -4.76 -0.07 0.00 -0.53 0.00 0.00 39.78 34.95 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 -2.65 3.53 -1.76 1.20 -0.00 -1.21 -4.87 117.46 111.70 2jps n PHE 24 Ca -0.21 -4.00 -0.25 0.00 -0.00 0.00 0.00 57.45 52.99 2jps n PHE 24 Cb 0.67 -0.63 0.06 0.00 -0.00 0.00 0.00 39.48 39.58 2jps n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2jps n ASN 25 N 0.87 5.43 -3.81 -2.13 2.85 -1.26 -4.77 115.26 112.44 2jps n ASN 25 Ca 0.30 -3.77 -0.20 0.00 -0.11 0.00 0.00 54.58 50.79 2jps n ASN 25 Cb 0.40 -0.55 -0.17 0.00 1.24 0.00 0.00 39.78 40.70 2jps n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2jps s GLU 26 N -3.63 0.54 -1.28 1.20 2.02 -1.26 -4.83 118.70 111.46 2jps s GLU 26 Ca 0.54 0.06 -0.09 0.00 0.02 0.00 0.00 54.97 55.50 2jps s GLU 26 Cb 0.44 -0.77 0.07 0.00 0.10 0.00 0.00 34.13 33.97 2jps s GLU 26 CO 0.02 -0.20 0.48 -0.25 0.02 0.00 0.00 175.26 175.33 2jps n ASP 27 N 4.58 -3.75 -0.37 -0.19 8.00 -1.26 -4.83 116.55 118.73 2jps n ASP 27 Ca -0.17 -0.38 -0.01 0.00 0.71 0.00 0.00 54.79 54.94 2jps n ASP 27 Cb 0.50 -3.11 0.12 0.00 -0.02 0.00 0.00 41.12 38.62 2jps n ASP 27 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2jps h ILE 28 N -0.95 1.21 -0.19 0.53 -0.00 -1.88 0.67 117.51 116.90 2jps h ILE 28 Ca -0.43 -0.44 -0.20 0.00 -0.00 0.00 0.00 64.86 63.80 2jps h ILE 28 Cb 1.29 -0.19 0.01 0.00 -0.00 0.00 0.00 36.82 37.93 2jps h ILE 28 CO 0.53 0.23 -0.65 0.50 -0.00 0.00 0.00 178.15 178.76 2jps h LYS 29 N 1.28 0.78 -0.36 2.19 3.64 -1.98 -2.67 116.57 119.45 2jps h LYS 29 Ca 0.38 -0.58 -0.11 0.00 -1.27 0.00 0.00 60.65 59.07 2jps h LYS 29 Cb -0.07 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2jps h LYS 29 CO -0.10 1.20 -0.21 1.88 -2.27 0.00 0.00 179.45 179.94 2jps h TYR 30 N 0.51 0.79 -0.69 1.91 0.05 -1.79 -2.47 116.97 115.28 2jps h TYR 30 Ca -0.03 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.52 2jps h TYR 30 Cb 1.28 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.79 2jps h TYR 30 CO 0.09 0.86 0.19 0.28 -1.05 0.00 0.00 178.16 178.53 2jps h VAL 31 N 0.62 1.26 -0.43 -2.88 2.07 0.37 -1.15 116.25 116.11 2jps h VAL 31 Ca 0.09 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 2jps h VAL 31 Cb 0.70 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2jps h VAL 31 CO 0.05 0.36 -0.04 0.00 0.02 0.00 0.00 177.57 177.96 2jps h ALA 32 N 1.16 0.58 -0.62 1.67 0.00 -1.29 -0.42 119.26 120.36 2jps h ALA 32 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 32 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jps h ALA 32 CO -0.00 0.41 0.32 0.93 0.00 0.00 0.00 179.25 180.91 2jps h GLU 33 N 0.62 0.87 -0.66 0.00 4.39 -1.20 0.20 114.58 118.81 2jps h GLU 33 Ca 0.12 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2jps h GLU 33 Cb 0.54 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2jps h GLU 33 CO 0.03 0.68 0.22 -0.92 -1.16 0.00 0.00 179.01 177.86 2jps h TYR 34 N 0.84 1.04 0.01 4.33 3.20 -1.04 0.51 116.97 125.86 2jps h TYR 34 Ca 0.22 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2jps h TYR 34 Cb 0.07 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.04 2jps h TYR 34 CO -0.01 0.84 -0.00 0.82 -1.64 0.00 0.00 178.16 178.17 2jps h ILE 35 N 0.95 1.14 -0.86 1.81 2.04 -0.54 0.13 117.51 122.17 2jps h ILE 35 Ca 0.21 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2jps h ILE 35 Cb 0.28 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2jps h ILE 35 CO -0.01 0.11 0.48 0.58 0.00 0.00 0.00 178.15 179.31 2jps h VAL 36 N -0.19 1.25 -0.61 1.67 2.07 -0.40 0.67 116.25 120.72 2jps h VAL 36 Ca -0.00 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2jps h VAL 36 Cb 0.18 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2jps h VAL 36 CO 0.00 0.28 0.38 0.25 0.02 0.00 0.00 177.57 178.49 2jps h LEU 37 N 1.20 0.72 -0.64 2.57 6.46 0.39 0.87 115.31 126.87 2jps h LEU 37 Ca 0.30 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 2jps h LEU 37 Cb 0.01 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 2jps h LEU 37 CO -0.05 0.55 0.33 -0.07 -0.62 0.00 0.00 178.44 178.58 2jps h LEU 38 N 0.82 0.82 -0.48 2.25 3.38 0.06 0.20 115.31 122.36 2jps h LEU 38 Ca 0.22 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2jps h LEU 38 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2jps h LEU 38 CO -0.04 0.70 0.09 0.40 0.09 0.00 0.00 178.44 179.67 2jps h ILE 39 N 0.88 1.25 0.00 1.22 1.08 0.00 0.91 117.51 122.85 2jps h ILE 39 Ca 0.22 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 2jps h ILE 39 Cb 0.08 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2jps h ILE 39 CO -0.03 0.32 -0.11 0.58 -0.69 0.00 0.00 178.15 178.22 2jps h VAL 40 N 0.67 0.28 0.00 1.67 2.07 0.12 -3.23 116.25 117.83 2jps h VAL 40 Ca 0.15 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2jps h VAL 40 Cb 0.38 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2jps h VAL 40 CO 0.01 0.10 -0.23 0.59 0.02 0.00 0.00 177.57 178.06 2jps n ASN 41 N -3.26 1.75 0.00 0.57 3.02 0.66 -4.92 115.26 113.09 2jps n ASN 41 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 2jps n ASN 41 Cb 0.36 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.02 -1.83 3.27 7.41 0.00 0.31 -4.95 105.19 108.37 2jps n GLY 42 Ca 0.13 0.78 -0.40 0.00 0.00 0.00 0.00 46.02 46.53 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 1.86 2.64 -0.02 0.00 -1.22 -4.38 105.19 104.07 2jps n GLY 43 Ca 0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 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 6.86 -0.10 0.33 2.61 -4.23 -1.26 -5.03 115.64 114.82 2jps s THR 44 Ca 0.62 0.15 0.09 0.00 -1.18 0.00 0.00 61.69 61.37 2jps s THR 44 Cb 0.11 -0.35 0.32 0.00 1.34 0.00 0.00 72.50 73.92 2jps s THR 44 CO 0.16 -0.04 1.79 0.58 -0.54 0.00 0.00 174.62 176.57 2jps h VAL 45 N 6.43 0.69 0.20 2.29 2.07 -1.96 0.79 116.25 126.77 2jps h VAL 45 Ca -0.13 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jps h VAL 45 Cb 1.13 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2jps h VAL 45 CO 0.22 0.12 -0.09 -0.08 0.02 0.00 0.00 177.57 177.75 2jps h GLU 46 N 0.67 -0.25 -0.22 1.57 4.81 -1.96 0.82 114.58 120.01 2jps h GLU 46 Ca 0.56 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.67 2jps h GLU 46 Cb 0.99 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2jps h GLU 46 CO -0.33 -0.00 -0.41 0.77 -0.73 0.00 0.00 179.01 178.30 2jps h SER 47 N -0.48 0.57 0.12 1.04 0.02 -1.72 0.46 113.55 113.55 2jps h SER 47 Ca -0.03 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 60.50 2jps h SER 47 Cb 0.37 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2jps h SER 47 CO 0.04 0.92 -0.60 0.58 -1.14 0.00 0.00 176.83 176.63 2jps h VAL 48 N 0.44 1.34 0.06 2.27 2.07 0.70 -0.41 116.25 122.72 2jps h VAL 48 Ca 0.04 -1.90 -0.26 0.00 0.82 0.00 0.00 66.70 65.40 2jps h VAL 48 Cb 0.91 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2jps h VAL 48 CO 0.08 0.58 -1.10 0.58 0.02 0.00 0.00 177.57 177.74 2jps h VAL 49 N 0.36 1.38 -0.14 2.57 2.07 0.78 -2.24 116.25 121.04 2jps h VAL 49 Ca -0.00 -2.57 -0.14 0.00 0.82 0.00 0.00 66.70 64.80 2jps h VAL 49 Cb 1.15 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2jps h VAL 49 CO 0.11 0.77 -0.51 -0.78 0.02 0.00 0.00 177.57 177.18 2jps h ASP 50 N 0.22 0.43 -0.13 0.57 3.58 -0.88 0.49 116.42 120.70 2jps h ASP 50 Ca -0.12 -0.22 -0.23 0.00 0.42 0.00 0.00 57.03 56.88 2jps h ASP 50 Cb 1.76 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.70 2jps h ASP 50 CO 0.19 0.87 -0.81 -0.33 -2.88 0.00 0.00 179.24 176.28 2jps h GLU 51 N 0.31 0.78 -0.13 0.28 5.08 -1.10 -1.59 114.58 118.21 2jps h GLU 51 Ca 0.01 -0.66 -0.19 0.00 -1.00 0.00 0.00 59.36 57.53 2jps h GLU 51 Cb 1.00 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jps h GLU 51 CO 0.09 1.26 -0.68 -0.07 -1.00 0.00 0.00 179.01 178.61 2jps h LEU 52 N 0.53 0.63 -0.65 1.33 3.38 -1.36 -3.08 115.31 116.09 2jps h LEU 52 Ca -0.06 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 2jps h LEU 52 Cb 1.44 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2jps h LEU 52 CO 0.16 1.14 -0.16 0.00 0.09 0.00 0.00 178.44 179.67 2jps h ALA 53 N 0.86 0.84 -0.44 1.53 0.00 -0.90 0.89 119.26 122.04 2jps h ALA 53 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2jps h ALA 53 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2jps h ALA 53 CO 0.13 0.65 0.29 1.03 0.00 0.00 0.00 179.25 181.34 2jps h SER 54 N 0.78 0.44 0.06 0.00 0.87 -1.23 -2.17 113.55 112.30 2jps h SER 54 Ca 0.12 -0.01 -0.37 0.00 -1.23 0.00 0.00 61.79 60.30 2jps h SER 54 Cb 0.70 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 2jps h SER 54 CO 0.05 0.31 -2.15 0.18 -0.53 0.00 0.00 176.83 174.69 2jps n LEU 55 N -4.48 2.62 -3.88 2.23 4.32 -1.04 -4.64 117.00 112.13 2jps n LEU 55 Ca 0.04 0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.82 2jps n LEU 55 Cb 0.12 -1.00 -0.07 0.00 -1.62 0.00 0.00 43.42 40.85 2jps n LEU 55 CO 0.35 0.80 0.31 0.49 -1.22 0.00 0.00 177.39 178.12 2jps n PHE 56 N -3.57 3.67 -1.20 -1.77 3.72 0.31 -4.87 117.46 113.75 2jps n PHE 56 Ca -0.39 -3.98 -0.17 0.00 -0.05 0.00 0.00 57.45 52.86 2jps n PHE 56 Cb 0.98 -0.91 0.22 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.74 3.96 -0.10 4.37 2.03 -0.82 -4.38 116.55 123.35 2jps n ASP 57 Ca 0.24 -3.51 -0.18 0.00 0.52 0.00 0.00 54.79 51.86 2jps n ASP 57 Cb 0.37 -0.80 -0.13 0.00 -0.72 0.00 0.00 41.12 39.85 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 -0.87 1.77 -4.88 1.67 3.41 -1.26 -4.96 113.62 108.50 2jps n SER 58 Ca 0.52 -0.04 -0.29 0.00 -0.26 0.00 0.00 58.87 58.80 2jps n SER 58 Cb 1.55 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 65.13 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 4.81 0.29 -3.33 0.11 -1.26 -5.00 120.40 113.48 2jps s VAL 59 Ca -0.29 0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2jps s VAL 59 Cb 0.08 -3.79 -0.14 0.00 -1.53 0.00 0.00 36.38 31.01 2jps s VAL 59 CO 0.67 -0.70 1.17 -1.20 -3.33 0.00 0.00 175.10 171.71 2jps n SER 60 N -1.77 1.97 -0.20 3.54 7.64 -1.26 -4.84 113.62 118.70 2jps n SER 60 Ca 0.02 1.18 0.18 0.00 1.01 0.00 0.00 58.87 61.26 2jps n SER 60 Cb 0.54 -1.36 0.53 0.00 -1.01 0.00 0.00 64.21 62.91 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 2.65 0.36 -0.98 1.43 3.08 -1.95 -0.79 114.38 118.19 2jps h ARG 61 Ca -0.43 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.67 2jps h ARG 61 Cb 1.31 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.22 2jps h ARG 61 CO 0.64 0.24 0.63 0.22 -1.07 0.00 0.00 179.97 180.64 2jps h ASP 62 N 0.37 1.00 -0.66 7.04 3.58 -1.99 -0.06 116.42 125.71 2jps h ASP 62 Ca 0.42 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.85 2jps h ASP 62 Cb 1.07 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2jps h ASP 62 CO -0.14 0.64 0.28 0.74 -2.88 0.00 0.00 179.24 177.89 2jps h THR 63 N 1.14 1.23 -0.10 2.25 2.02 -1.48 0.94 112.91 118.92 2jps h THR 63 Ca 0.42 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2jps h THR 63 Cb 0.17 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2jps h THR 63 CO -0.16 0.28 -0.01 -0.07 0.37 0.00 0.00 175.52 175.94 2jps h LEU 64 N 0.93 0.17 -1.40 2.58 4.07 -1.32 -2.74 115.31 117.60 2jps h LEU 64 Ca 0.22 -0.32 0.03 0.00 0.08 0.00 0.00 57.88 57.89 2jps h LEU 64 Cb 0.17 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 2jps h LEU 64 CO -0.02 0.46 0.43 0.00 -1.08 0.00 0.00 178.44 178.22 2jps h ALA 65 N 0.72 1.62 -0.70 1.53 0.00 -0.85 -1.52 119.26 120.07 2jps h ALA 65 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jps h ALA 65 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jps h ALA 65 CO 0.01 0.32 0.40 -0.97 0.00 0.00 0.00 179.25 179.01 2jps h ASN 66 N 0.79 0.85 -0.27 0.00 -0.73 -0.58 0.72 115.58 116.37 2jps h ASN 66 Ca 0.25 -0.08 -0.17 0.00 1.87 0.00 0.00 56.30 58.17 2jps h ASN 66 Cb 0.04 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.41 2jps h ASN 66 CO -0.07 0.68 -0.49 0.58 -0.37 0.00 0.00 177.43 177.76 2jps h VAL 67 N 0.95 1.28 -0.46 2.57 2.07 -1.11 -2.74 116.25 118.82 2jps h VAL 67 Ca 0.25 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2jps h VAL 67 Cb -0.00 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2jps h VAL 67 CO -0.04 0.55 0.13 0.58 0.02 0.00 0.00 177.57 178.80 2jps h VAL 68 N 0.67 1.20 0.01 2.57 2.07 -0.94 -2.45 116.25 119.38 2jps h VAL 68 Ca 0.03 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jps h VAL 68 Cb 1.09 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jps h VAL 68 CO 0.11 0.25 -0.01 1.56 0.02 0.00 0.00 177.57 179.51 2jps h GLN 69 N 0.67 -0.01 -0.00 1.57 4.20 -0.66 -2.65 115.11 118.22 2jps h GLN 69 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2jps h GLN 69 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2jps h GLN 69 CO -0.01 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 2jps h THR 70 N -0.22 1.00 -0.55 -0.54 1.03 -1.31 -1.54 112.91 110.79 2jps h THR 70 Ca -0.00 -0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 2jps h THR 70 Cb 0.21 1.00 -0.02 0.00 -1.07 0.00 0.00 68.15 68.27 2jps h THR 70 CO 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 175.52 175.66 2jps h ALA 71 N 2.00 0.72 -0.15 0.00 0.00 -1.10 0.45 119.26 121.17 2jps h ALA 71 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jps h ALA 71 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jps h ALA 71 CO -0.00 0.40 0.05 0.74 0.00 0.00 0.00 179.25 180.44 2jps h PHE 72 N 0.77 0.24 -0.82 0.00 0.04 -1.03 -1.30 116.94 114.84 2jps h PHE 72 Ca 0.17 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2jps h PHE 72 Cb 0.32 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 2jps h PHE 72 CO 0.02 0.35 0.49 0.35 -0.60 0.00 0.00 178.31 178.92 2jps h PHE 73 N 0.06 1.09 -0.69 -0.55 3.57 -1.15 -2.22 116.94 117.04 2jps h PHE 73 Ca 0.05 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2jps h PHE 73 Cb 0.23 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2jps h PHE 73 CO 0.00 0.73 0.42 0.00 -2.23 0.00 0.00 178.31 177.23 2jps h ALA 74 N 1.40 0.88 -0.91 2.41 0.00 0.30 -0.66 119.26 122.69 2jps h ALA 74 Ca 0.30 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2jps h ALA 74 Cb -0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 2jps h ALA 74 CO -0.05 0.35 0.58 -0.07 0.00 0.00 0.00 179.25 180.06 2jps h LEU 75 N 0.94 0.93 -0.34 0.00 3.38 -0.63 0.60 115.31 120.19 2jps h LEU 75 Ca 0.25 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 2jps h LEU 75 Cb -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2jps h LEU 75 CO -0.05 0.61 -0.40 -0.33 0.09 0.00 0.00 178.44 178.37 2jps h GLU 76 N 1.07 0.87 -0.40 1.13 5.08 -1.18 -1.00 114.58 120.16 2jps h GLU 76 Ca 0.38 -0.48 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 2jps h GLU 76 Cb 0.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2jps h GLU 76 CO -0.15 1.12 -0.29 0.00 -1.00 0.00 0.00 179.01 178.69 2jps h ALA 77 N 0.73 0.74 -0.41 3.43 0.00 -0.43 -2.50 119.26 120.82 2jps h ALA 77 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2jps h ALA 77 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jps h ALA 77 CO 0.10 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 181.00 2jps h LEU 78 N 0.72 0.89 -1.32 0.00 5.85 0.25 -1.45 115.31 120.25 2jps h LEU 78 Ca 0.08 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 2jps h LEU 78 Cb 0.84 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2jps h LEU 78 CO 0.07 1.10 -0.15 1.56 -0.34 0.00 0.00 178.44 180.68 2jps h GLN 79 N 0.74 0.27 0.25 1.25 4.20 -1.06 -3.07 115.11 117.70 2jps h GLN 79 Ca 0.09 -0.07 -0.33 0.00 0.06 0.00 0.00 58.65 58.40 2jps h GLN 79 Cb 0.80 -0.03 0.04 0.00 0.30 0.00 0.00 27.48 28.59 2jps h GLN 79 CO 0.07 0.43 -1.47 0.37 -0.67 0.00 0.00 178.83 177.56 2jps h GLN 80 N 0.25 0.53 0.00 1.46 5.75 -1.23 -3.48 115.11 118.38 2jps h GLN 80 Ca 0.05 -0.90 0.00 0.00 -0.15 0.00 0.00 58.65 57.65 2jps h GLN 80 Cb 0.42 0.34 0.00 0.00 1.07 0.00 0.00 27.48 29.31 2jps h GLN 80 CO 0.03 1.43 0.00 0.41 -2.65 0.00 0.00 178.83 178.05 2jps n GLY 81 N 1.73 0.06 3.35 2.39 0.00 -0.57 -5.12 105.19 107.03 2jps n GLY 81 Ca -0.17 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 1.45 -0.09 1.61 2.12 -1.09 -4.95 118.70 117.75 2jps s GLU 82 Ca 0.00 -1.78 0.02 0.00 0.36 0.00 0.00 54.97 53.57 2jps s GLU 82 Cb 0.00 -0.51 -0.02 0.00 0.26 0.00 0.00 34.13 33.86 2jps s GLU 82 CO 0.00 -0.21 -0.15 -1.12 -0.54 0.00 0.00 175.26 173.24 2jps s SER 83 N -3.35 3.93 -0.17 -1.70 0.01 -1.26 -4.86 113.70 106.30 2jps s SER 83 Ca 0.35 -0.29 0.13 0.00 1.31 0.00 0.00 55.95 57.45 2jps s SER 83 Cb 0.08 -1.22 -0.24 0.00 0.21 0.00 0.00 66.02 64.85 2jps s SER 83 CO 0.13 0.25 0.19 0.00 0.41 0.00 0.00 173.24 174.21 2jps n ALA 84 N 2.96 1.45 -0.21 1.44 0.00 -1.26 -4.34 120.51 120.54 2jps n ALA 84 Ca -0.18 -1.13 0.09 0.00 0.00 0.00 0.00 53.44 52.22 2jps n ALA 84 Cb 0.52 -0.36 0.37 0.00 0.00 0.00 0.00 19.45 19.99 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 0.70 -0.93 0.00 5.08 -1.95 -1.44 114.58 116.04 2jps h GLU 85 Ca -0.48 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 57.88 2jps h GLU 85 Cb 2.13 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.17 2jps h GLU 85 CO 0.03 0.46 0.61 -0.91 -1.00 0.00 0.00 179.01 178.20 2jps h ASN 86 N 0.72 0.98 -0.11 1.42 4.21 -2.02 -1.59 115.58 119.20 2jps h ASN 86 Ca 0.36 -0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.78 2jps h ASN 86 Cb 0.46 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 2jps h ASN 86 CO -0.14 0.66 -0.21 0.40 -1.29 0.00 0.00 177.43 176.85 2jps h ILE 87 N 1.13 1.26 -0.52 2.81 2.04 -1.49 -2.87 117.51 119.87 2jps h ILE 87 Ca 0.38 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 2jps h ILE 87 Cb 0.07 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2jps h ILE 87 CO -0.12 0.39 0.05 1.62 0.00 0.00 0.00 178.15 180.09 2jps h VAL 88 N 0.47 1.24 -0.88 1.67 3.04 -1.16 -2.74 116.25 117.88 2jps h VAL 88 Ca 0.07 -0.95 0.04 0.00 -1.01 0.00 0.00 66.70 64.85 2jps h VAL 88 Cb 0.63 0.79 -0.06 0.00 -2.01 0.00 0.00 31.29 30.64 2jps h VAL 88 CO 0.04 0.34 0.56 0.28 -1.01 0.00 0.00 177.57 177.79 2jps h SER 89 N 0.79 0.92 0.07 3.17 0.02 -1.24 -1.22 113.55 116.06 2jps h SER 89 Ca 0.16 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 2jps h SER 89 Cb 0.40 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2jps h SER 89 CO 0.01 0.61 -0.27 0.50 -1.14 0.00 0.00 176.83 176.55 2jps h LYS 90 N 1.07 0.32 -0.31 3.45 3.64 -1.50 -2.87 116.57 120.38 2jps h LYS 90 Ca 0.36 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2jps h LYS 90 Cb 0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jps h LYS 90 CO -0.14 0.58 -0.42 0.82 -2.27 0.00 0.00 179.45 178.02 2jps h ILE 91 N 0.29 1.29 -0.84 2.00 1.08 -1.02 -1.70 117.51 118.61 2jps h ILE 91 Ca 0.04 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 62.91 2jps h ILE 91 Cb 0.63 1.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 2jps h ILE 91 CO 0.05 0.52 0.51 0.03 -0.69 0.00 0.00 178.15 178.57 2jps h ARG 92 N 0.63 1.13 -0.17 2.37 3.08 -1.07 0.86 114.38 121.20 2jps h ARG 92 Ca 0.05 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 2jps h ARG 92 Cb 0.98 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.80 2jps h ARG 92 CO 0.09 0.78 -0.75 0.52 -1.07 0.00 0.00 179.97 179.54 2jps h MET 93 N 1.15 0.81 -0.25 0.04 2.86 -1.39 -1.02 114.93 117.13 2jps h MET 93 Ca 0.30 -0.64 -0.17 0.00 -2.06 0.00 0.00 59.70 57.13 2jps h MET 93 Cb -0.06 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2jps h MET 93 CO -0.06 1.25 -0.53 1.98 1.06 0.00 0.00 176.91 180.62 2jps h MET 94 N 0.56 0.71 -0.30 1.72 1.85 -0.82 -2.30 114.93 116.36 2jps h MET 94 Ca -0.04 -0.44 -0.14 0.00 -0.61 0.00 0.00 59.70 58.47 2jps h MET 94 Cb 1.38 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.45 2jps h MET 94 CO 0.16 1.06 -0.39 -0.91 -0.40 0.00 0.00 176.91 176.43 2jps h ASN 95 N 0.55 0.74 -0.55 1.39 2.35 0.75 -2.89 115.58 117.92 2jps h ASN 95 Ca 0.02 -0.33 -0.09 0.00 -0.55 0.00 0.00 56.30 55.35 2jps h ASN 95 Cb 1.10 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 2jps h ASN 95 CO 0.11 1.05 0.01 0.00 -1.65 0.00 0.00 177.43 176.95 2jps h ALA 96 N 0.99 0.93 -0.94 -0.83 0.00 -1.11 -2.80 119.26 115.50 2jps h ALA 96 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jps h ALA 96 Cb 0.92 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2jps h ALA 96 CO 0.08 0.64 0.59 0.37 0.00 0.00 0.00 179.25 180.93 2jps h GLN 97 N 0.91 1.26 -0.84 0.00 4.15 -1.28 0.34 115.11 119.65 2jps h GLN 97 Ca 0.17 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.52 2jps h GLN 97 Cb 0.51 -0.27 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 2jps h GLN 97 CO 0.02 0.87 0.55 0.77 -1.93 0.00 0.00 178.83 179.11 2jps h SER 98 N 1.29 0.90 -0.66 -0.69 0.02 -1.29 -2.66 113.55 110.46 2jps h SER 98 Ca 0.34 -0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.81 2jps h SER 98 Cb -0.09 -0.21 -0.33 0.00 0.14 0.00 0.00 62.40 61.91 2jps h SER 98 CO -0.07 0.62 -0.49 0.18 -1.14 0.00 0.00 176.83 175.94 2jps n LEU 99 N -4.44 4.96 0.15 5.07 4.32 -0.81 -4.77 117.00 121.47 2jps n LEU 99 Ca 0.11 -4.50 0.00 0.00 -0.02 0.00 0.00 56.01 51.60 2jps n LEU 99 Cb 0.11 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 2jps n LEU 99 CO 0.35 1.86 -0.00 0.61 -1.22 0.00 0.00 177.39 178.99 2jps n GLY 100 N -0.83 -0.33 2.73 -0.72 0.00 0.11 -4.98 105.19 101.17 2jps n GLY 100 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 2jps n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jps n GLN 101 N -3.50 -3.75 -3.37 1.61 1.13 -1.06 -4.40 117.38 104.05 2jps n GLN 101 Ca 0.00 2.89 -0.15 0.00 -1.94 0.00 0.00 57.00 57.80 2jps n GLN 101 Cb 0.00 -3.93 0.03 0.00 0.11 0.00 0.00 30.24 26.44 2jps n GLN 101 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2jps n SER 102 N 1.95 -6.49 -3.69 1.08 7.64 -1.26 -5.01 113.62 107.84 2jps n SER 102 Ca -0.31 -0.59 -0.21 0.00 1.01 0.00 0.00 58.87 58.76 2jps n SER 102 Cb 0.49 -4.29 -0.18 0.00 -1.01 0.00 0.00 64.21 59.22 2jps n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jps s ASP 103 N -3.21 1.34 0.02 6.43 1.11 -1.26 -5.04 116.67 116.06 2jps s ASP 103 Ca 0.24 -0.01 -0.03 0.00 0.18 0.00 0.00 52.55 52.92 2jps s ASP 103 Cb -0.06 -0.22 -0.01 0.00 1.07 0.00 0.00 42.92 43.70 2jps s ASP 103 CO 0.80 -0.24 -0.07 -0.38 1.18 0.00 0.00 175.17 176.45 2jps n ILE 104 N 5.26 1.07 -0.32 0.77 5.41 -1.26 -5.09 119.36 125.20 2jps n ILE 104 Ca -0.04 0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.97 2jps n ILE 104 Cb 0.50 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55