#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 4.34 -0.43 7.83 1.04 -1.26 -4.99 113.70 120.23 2jps s SER 2 Ca 0.00 -3.15 0.06 0.00 0.48 0.00 0.00 55.95 53.33 2jps s SER 2 Cb 0.00 -1.59 0.20 0.00 0.10 0.00 0.00 66.02 64.73 2jps s SER 2 CO 0.00 -0.20 0.43 0.00 0.98 0.00 0.00 173.24 174.45 2jps n GLN 3 N 2.91 0.58 -0.07 4.02 1.13 -1.26 -4.94 117.38 119.75 2jps n GLN 3 Ca 0.08 -3.34 -0.20 0.00 -1.94 0.00 0.00 57.00 51.60 2jps n GLN 3 Cb 0.33 -1.58 -0.13 0.00 0.11 0.00 0.00 30.24 28.97 2jps n GLN 3 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jps n GLU 4 N 2.19 0.70 -0.28 -1.09 4.07 -1.26 -3.43 120.64 121.54 2jps n GLU 4 Ca 0.26 0.21 0.11 0.00 -0.06 0.00 0.00 57.16 57.68 2jps n GLU 4 Cb 0.49 -1.61 0.36 0.00 -0.06 0.00 0.00 31.44 30.61 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 2jps h GLN 5 N -0.01 0.72 -0.09 5.31 3.07 -1.99 0.36 115.11 122.48 2jps h GLN 5 Ca -0.51 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 57.99 2jps h GLN 5 Cb 1.94 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 29.34 2jps h GLN 5 CO -0.02 0.48 -0.77 1.88 0.09 0.00 0.00 178.83 180.49 2jps h TYR 6 N 0.74 0.68 -0.58 0.06 -1.99 -1.98 -2.39 116.97 111.52 2jps h TYR 6 Ca 0.45 -0.31 -0.10 0.00 2.00 0.00 0.00 58.73 60.77 2jps h TYR 6 Cb 0.66 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.27 2jps h TYR 6 CO -0.00 1.09 -0.01 1.15 -0.00 0.00 0.00 178.16 180.39 2jps h THR 7 N 0.33 1.27 -0.39 -2.88 2.02 -0.80 0.93 112.91 113.39 2jps h THR 7 Ca -0.04 -1.15 -0.15 0.00 0.77 0.00 0.00 66.41 65.83 2jps h THR 7 Cb 1.36 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2jps h THR 7 CO 0.14 0.41 -0.35 -0.08 0.37 0.00 0.00 175.52 176.01 2jps h GLU 8 N 0.92 0.92 0.04 6.66 4.22 -0.42 0.26 114.58 127.18 2jps h GLU 8 Ca 0.16 -0.47 -0.25 0.00 0.08 0.00 0.00 59.36 58.88 2jps h GLU 8 Cb 0.57 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.84 2jps h GLU 8 CO 0.03 1.13 -1.05 -0.91 -2.18 0.00 0.00 179.01 176.04 2jps h ASN 9 N 0.74 0.64 -0.20 1.04 4.21 -1.32 -3.18 115.58 117.52 2jps h ASN 9 Ca 0.07 -0.55 -0.13 0.00 1.21 0.00 0.00 56.30 56.90 2jps h ASN 9 Cb 0.94 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 2jps h ASN 9 CO 0.09 1.36 -0.33 0.25 -1.29 0.00 0.00 177.43 177.51 2jps h LEU 10 N 0.25 0.75 -1.98 1.61 5.85 0.96 -2.73 115.31 120.01 2jps h LEU 10 Ca -0.11 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.31 2jps h LEU 10 Cb 1.70 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 2jps h LEU 10 CO 0.19 1.01 0.03 0.50 -0.34 0.00 0.00 178.44 179.83 2jps h LYS 11 N 0.60 0.02 0.00 1.25 3.11 -0.49 0.18 116.57 121.24 2jps h LYS 11 Ca 0.06 -0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.79 2jps h LYS 11 Cb 0.85 -0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.09 2jps h LYS 11 CO 0.07 0.01 -0.45 0.28 -2.81 0.00 0.00 179.45 176.56 2jps h VAL 12 N 0.02 1.48 -0.30 2.00 2.07 -1.47 -2.31 116.25 117.74 2jps h VAL 12 Ca 0.02 -2.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.43 2jps h VAL 12 Cb 0.05 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2jps h VAL 12 CO -0.00 0.58 -0.14 0.40 0.02 0.00 0.00 177.57 178.43 2jps h ILE 13 N -0.29 1.24 -0.43 4.57 2.04 -1.20 -2.58 117.51 120.86 2jps h ILE 13 Ca -0.06 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 2jps h ILE 13 Cb 1.19 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 2jps h ILE 13 CO 0.09 0.35 -0.15 0.58 0.00 0.00 0.00 178.15 179.02 2jps h VAL 14 N 0.48 1.27 -0.53 1.67 2.07 -0.69 -2.87 116.25 117.67 2jps h VAL 14 Ca 0.09 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2jps h VAL 14 Cb 0.52 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2jps h VAL 14 CO 0.03 0.43 0.31 0.00 0.02 0.00 0.00 177.57 178.36 2jps h ALA 15 N 0.85 1.55 -0.87 1.67 0.00 -1.15 -2.12 119.26 119.19 2jps h ALA 15 Ca 0.10 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2jps h ALA 15 Cb 0.70 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2jps h ALA 15 CO 0.05 0.39 0.56 1.49 0.00 0.00 0.00 179.25 181.74 2jps h GLU 16 N 0.73 0.71 0.23 0.00 4.81 -1.23 0.40 114.58 120.23 2jps h GLU 16 Ca 0.19 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 59.06 2jps h GLU 16 Cb -0.01 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 29.24 2jps h GLU 16 CO -0.03 0.47 -1.41 -0.22 -0.73 0.00 0.00 179.01 177.09 2jps h LYS 17 N 0.73 0.49 0.49 1.92 3.11 -1.45 -2.52 116.57 119.34 2jps h LYS 17 Ca 0.42 -0.83 -0.02 0.00 -2.81 0.00 0.00 60.65 57.40 2jps h LYS 17 Cb 0.61 0.31 0.00 0.00 -1.00 0.00 0.00 32.23 32.16 2jps h LYS 17 CO -0.18 1.40 -0.24 -0.07 -2.81 0.00 0.00 179.45 177.55 2jps h LEU 18 N 0.05 -0.56 -1.97 5.20 3.38 -0.93 -1.60 115.31 118.87 2jps h LEU 18 Ca -0.25 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.75 2jps h LEU 18 Cb 2.08 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.96 2jps h LEU 18 CO 0.24 -0.21 0.27 0.00 0.09 0.00 0.00 178.44 178.84 2jps h ALA 19 N -0.63 2.33 -0.13 1.53 0.00 -0.37 -1.26 119.26 120.72 2jps h ALA 19 Ca -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2jps h ALA 19 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jps h ALA 19 CO 0.11 -0.43 -0.63 0.78 0.00 0.00 0.00 179.25 179.08 2jps h GLY 20 N 0.03 0.53 -4.80 0.00 0.00 -1.19 -3.45 103.07 94.19 2jps h GLY 20 Ca 0.18 -0.68 -0.58 0.00 0.00 0.00 0.00 47.33 46.25 2jps h GLY 20 CO -0.01 0.61 0.73 1.39 0.00 0.00 0.00 176.54 179.26 2jps n ILE 21 N -3.91 0.43 0.20 2.60 5.41 -0.48 -4.87 119.36 118.74 2jps n ILE 21 Ca -0.04 -0.11 0.06 0.00 1.00 0.00 0.00 62.75 63.67 2jps n ILE 21 Cb 0.65 -1.54 0.39 0.00 -0.71 0.00 0.00 39.64 38.43 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 5.19 0.00 -0.90 0.38 0.13 -1.87 -3.10 132.00 131.84 2jps h PRO 22 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2jps h PRO 22 Cb 1.26 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 2jps h PRO 22 CO 0.83 0.34 0.54 -1.71 -0.23 0.00 0.00 178.00 177.77 2jps n ASN 23 N -3.60 3.91 -3.34 1.44 2.85 -1.26 -4.68 115.26 110.58 2jps n ASN 23 Ca -0.01 -3.66 -0.26 0.00 -0.11 0.00 0.00 54.58 50.55 2jps n ASN 23 Cb 0.46 -0.82 -0.08 0.00 1.24 0.00 0.00 39.78 40.59 2jps n ASN 23 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2jps n PHE 24 N -1.12 2.03 -0.08 1.20 -0.00 -1.17 -4.89 117.46 113.43 2jps n PHE 24 Ca 0.56 -3.92 -0.15 0.00 -0.00 0.00 0.00 57.45 53.94 2jps n PHE 24 Cb 1.48 -0.47 -0.14 0.00 -0.00 0.00 0.00 39.48 40.35 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 1.11 1.31 -4.91 -2.13 2.85 -1.26 -4.72 115.26 107.50 2jps n ASN 25 Ca 0.26 0.05 -0.31 0.00 -0.11 0.00 0.00 54.58 54.47 2jps n ASN 25 Cb 0.46 -0.07 -0.04 0.00 1.24 0.00 0.00 39.78 41.37 2jps n ASN 25 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2jps s GLU 26 N -2.53 3.49 -1.44 1.20 2.12 -1.26 -4.41 118.70 115.87 2jps s GLU 26 Ca -0.21 -0.34 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 2jps s GLU 26 Cb 0.08 -2.99 0.05 0.00 0.26 0.00 0.00 34.13 31.52 2jps s GLU 26 CO 0.73 0.57 0.91 -0.25 -0.54 0.00 0.00 175.26 176.68 2jps n ASP 27 N 0.26 -3.67 -0.08 -1.70 8.00 -1.26 -4.90 116.55 113.20 2jps n ASP 27 Ca -0.04 -0.77 -0.09 0.00 0.71 0.00 0.00 54.79 54.60 2jps n ASP 27 Cb 0.51 -4.07 -0.15 0.00 -0.02 0.00 0.00 41.12 37.39 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 -4.57 1.37 0.04 0.53 0.00 -1.26 -3.27 119.36 112.19 2jps n ILE 28 Ca -0.08 -0.83 -0.17 0.00 0.00 0.00 0.00 62.75 61.67 2jps n ILE 28 Cb 0.58 -0.57 -0.14 0.00 0.00 0.00 0.00 39.64 39.51 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 0.00 0.22 0.00 9.51 1.57 -1.93 -3.22 116.57 122.72 2jps h LYS 29 Ca -0.46 -0.38 -0.13 0.00 -1.87 0.00 0.00 60.65 57.81 2jps h LYS 29 Cb 2.13 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 34.56 2jps h LYS 29 CO 0.04 1.05 -0.64 1.88 -0.57 0.00 0.00 179.45 181.21 2jps h TYR 30 N 0.06 0.00 -0.22 -1.35 0.05 -1.98 -3.11 116.97 110.42 2jps h TYR 30 Ca -0.30 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.33 2jps h TYR 30 Cb 2.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.76 2jps h TYR 30 CO 0.06 0.64 -0.50 -0.24 -1.05 0.00 0.00 178.16 177.07 2jps h VAL 31 N 0.00 1.31 -0.69 -2.88 3.04 -1.66 -2.96 116.25 112.41 2jps h VAL 31 Ca -0.01 -1.72 -0.07 0.00 -1.01 0.00 0.00 66.70 63.90 2jps h VAL 31 Cb 1.19 1.68 -0.03 0.00 -2.01 0.00 0.00 31.29 32.12 2jps h VAL 31 CO 0.08 0.54 0.15 0.00 -1.01 0.00 0.00 177.57 177.34 2jps h ALA 32 N 0.97 0.97 -0.37 3.17 0.00 -1.56 -0.89 119.26 121.56 2jps h ALA 32 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jps h ALA 32 Cb 1.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jps h ALA 32 CO 0.10 0.66 0.23 0.93 0.00 0.00 0.00 179.25 181.16 2jps h GLU 33 N 1.04 0.45 -0.72 0.00 5.08 -1.47 -0.62 114.58 118.34 2jps h GLU 33 Ca 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2jps h GLU 33 Cb 0.38 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2jps h GLU 33 CO 0.00 0.30 0.21 -0.92 -1.00 0.00 0.00 179.01 177.61 2jps h TYR 34 N 0.47 1.18 -0.80 4.33 3.20 -1.34 0.35 116.97 124.35 2jps h TYR 34 Ca 0.14 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2jps h TYR 34 Cb -0.02 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 37.85 2jps h TYR 34 CO -0.06 0.94 0.48 0.82 -1.64 0.00 0.00 178.16 178.70 2jps h ILE 35 N 1.07 1.02 -0.40 1.81 2.04 -0.48 0.41 117.51 122.98 2jps h ILE 35 Ca 0.23 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.64 2jps h ILE 35 Cb 0.32 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2jps h ILE 35 CO -0.00 0.16 -0.32 0.58 0.00 0.00 0.00 178.15 178.57 2jps h VAL 36 N 0.88 1.27 -0.89 1.67 2.07 -0.65 0.01 116.25 120.61 2jps h VAL 36 Ca 0.35 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2jps h VAL 36 Cb 0.18 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2jps h VAL 36 CO -0.18 0.50 0.55 0.25 0.02 0.00 0.00 177.57 178.72 2jps h LEU 37 N 0.75 1.07 -0.42 2.57 5.85 0.31 0.91 115.31 126.35 2jps h LEU 37 Ca 0.07 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2jps h LEU 37 Cb 0.91 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2jps h LEU 37 CO 0.08 0.81 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.83 2jps h LEU 38 N 1.23 0.81 -0.51 2.25 3.38 -0.02 -0.22 115.31 122.22 2jps h LEU 38 Ca 0.32 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jps h LEU 38 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2jps h LEU 38 CO -0.06 0.98 -0.03 0.40 0.09 0.00 0.00 178.44 179.82 2jps h ILE 39 N 0.63 1.27 0.00 1.22 1.08 -0.21 0.90 117.51 122.38 2jps h ILE 39 Ca 0.11 -1.14 -0.07 0.00 -0.39 0.00 0.00 64.86 63.37 2jps h ILE 39 Cb 0.63 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2jps h ILE 39 CO 0.04 0.40 -0.31 1.62 -0.69 0.00 0.00 178.15 179.21 2jps h VAL 40 N 0.78 0.69 0.00 1.67 3.04 0.93 -3.24 116.25 120.12 2jps h VAL 40 Ca 0.14 -1.43 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 2jps h VAL 40 Cb 0.57 1.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2jps h VAL 40 CO 0.03 0.31 -0.08 0.59 -1.01 0.00 0.00 177.57 177.41 2jps n ASN 41 N -3.40 2.12 0.00 3.17 3.02 -0.11 -4.90 115.26 115.17 2jps n ASN 41 Ca 0.00 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 2jps n ASN 41 Cb 0.51 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.30 -1.84 3.29 7.41 0.00 0.31 -4.96 105.19 108.10 2jps n GLY 42 Ca 0.15 0.80 -0.39 0.00 0.00 0.00 0.00 46.02 46.58 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 1.79 2.79 -0.02 0.00 -1.20 -4.33 105.19 104.22 2jps n GLY 43 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 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 7.19 0.74 0.36 2.61 -4.23 -1.26 -5.02 115.64 116.02 2jps s THR 44 Ca 0.63 -0.58 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 2jps s THR 44 Cb 0.10 -1.12 0.33 0.00 1.34 0.00 0.00 72.50 73.15 2jps s THR 44 CO 0.16 -0.08 1.86 0.58 -0.54 0.00 0.00 174.62 176.60 2jps h VAL 45 N 6.49 0.81 0.18 2.29 2.07 -1.96 0.87 116.25 127.00 2jps h VAL 45 Ca -0.18 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2jps h VAL 45 Cb 1.11 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jps h VAL 45 CO 0.35 0.12 -0.09 -0.33 0.02 0.00 0.00 177.57 177.64 2jps h GLU 46 N 0.68 -0.24 -0.21 1.57 4.39 -1.97 0.81 114.58 119.62 2jps h GLU 46 Ca 0.46 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 60.05 2jps h GLU 46 Cb 0.77 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2jps h GLU 46 CO -0.22 0.08 -0.41 1.03 -1.16 0.00 0.00 179.01 178.33 2jps h SER 47 N -0.58 0.52 -0.06 1.42 0.87 -1.80 0.52 113.55 114.44 2jps h SER 47 Ca -0.03 -0.23 -0.19 0.00 -1.23 0.00 0.00 61.79 60.11 2jps h SER 47 Cb 0.43 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jps h SER 47 CO 0.04 0.87 -0.65 0.58 -0.53 0.00 0.00 176.83 177.14 2jps h VAL 48 N 0.41 1.31 0.09 2.23 2.07 0.82 -0.25 116.25 122.93 2jps h VAL 48 Ca 0.03 -1.90 -0.28 0.00 0.82 0.00 0.00 66.70 65.37 2jps h VAL 48 Cb 0.89 1.86 0.02 0.00 -1.52 0.00 0.00 31.29 32.54 2jps h VAL 48 CO 0.08 0.60 -1.19 0.58 0.02 0.00 0.00 177.57 177.66 2jps h VAL 49 N 0.50 1.32 -0.74 2.57 2.07 0.77 -2.09 116.25 120.65 2jps h VAL 49 Ca -0.02 -2.51 -0.05 0.00 0.82 0.00 0.00 66.70 64.94 2jps h VAL 49 Cb 1.25 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 2jps h VAL 49 CO 0.13 0.76 0.25 -0.78 0.02 0.00 0.00 177.57 177.95 2jps h ASP 50 N 0.26 1.05 -0.39 0.57 1.82 0.04 -0.54 116.42 119.23 2jps h ASP 50 Ca -0.16 -0.20 -0.11 0.00 -0.39 0.00 0.00 57.03 56.17 2jps h ASP 50 Cb 1.86 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 2jps h ASP 50 CO 0.22 0.97 -0.18 -0.33 -1.61 0.00 0.00 179.24 178.31 2jps h GLU 51 N 1.08 0.81 -0.62 0.28 3.07 -1.07 -2.11 114.58 116.02 2jps h GLU 51 Ca 0.24 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 2jps h GLU 51 Cb 0.27 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2jps h GLU 51 CO -0.01 0.98 0.27 -0.07 -1.40 0.00 0.00 179.01 178.78 2jps h LEU 52 N 0.62 0.81 -0.43 1.33 4.07 -1.06 -2.02 115.31 118.62 2jps h LEU 52 Ca 0.09 -0.09 -0.16 0.00 0.08 0.00 0.00 57.88 57.79 2jps h LEU 52 Cb 0.73 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 2jps h LEU 52 CO 0.06 0.70 -0.47 0.00 -1.08 0.00 0.00 178.44 177.65 2jps h ALA 53 N 1.42 0.61 -0.32 1.53 0.00 -0.94 0.99 119.26 122.55 2jps h ALA 53 Ca 0.21 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2jps h ALA 53 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jps h ALA 53 CO -0.02 0.68 -0.10 0.77 0.00 0.00 0.00 179.25 180.57 2jps h SER 54 N 0.63 0.52 0.15 0.00 0.02 -0.99 -2.97 113.55 110.90 2jps h SER 54 Ca 0.03 -0.13 -0.36 0.00 -0.84 0.00 0.00 61.79 60.49 2jps h SER 54 Cb 1.04 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 2jps h SER 54 CO 0.10 0.66 -2.13 0.18 -1.14 0.00 0.00 176.83 174.50 2jps n LEU 55 N -4.21 1.97 -3.80 5.07 4.77 -0.79 -4.56 117.00 115.45 2jps n LEU 55 Ca 0.01 0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.75 2jps n LEU 55 Cb 0.32 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2jps n LEU 55 CO 0.40 0.73 0.66 0.49 -1.33 0.00 0.00 177.39 178.35 2jps n PHE 56 N -3.22 3.01 1.86 -1.77 3.72 0.34 -4.84 117.46 116.56 2jps n PHE 56 Ca -0.33 -3.33 0.13 0.00 -0.05 0.00 0.00 57.45 53.87 2jps n PHE 56 Cb 1.05 -0.99 0.71 0.00 -0.94 0.00 0.00 39.48 39.31 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 1.25 0.36 -1.28 4.37 2.03 -1.12 -3.69 116.55 118.46 2jps n ASP 57 Ca 0.27 -1.27 0.07 0.00 0.52 0.00 0.00 54.79 54.39 2jps n ASP 57 Cb 0.36 -0.01 0.27 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.65 3.74 -4.03 1.67 7.64 -1.26 -4.90 113.62 115.82 2jps n SER 58 Ca 0.19 -2.33 -0.14 0.00 1.01 0.00 0.00 58.87 57.60 2jps n SER 58 Cb 0.15 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.76 0.53 0.55 0.44 0.11 -1.24 -5.11 120.40 113.91 2jps s VAL 59 Ca 0.39 -0.82 -0.21 0.00 -2.93 0.00 0.00 61.98 58.41 2jps s VAL 59 Cb 0.25 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 2jps s VAL 59 CO 0.19 -0.22 1.21 -1.20 -3.33 0.00 0.00 175.10 171.75 2jps n SER 60 N 1.92 1.97 -0.35 3.54 7.64 -1.26 -4.86 113.62 122.22 2jps n SER 60 Ca -0.20 0.93 0.05 0.00 1.01 0.00 0.00 58.87 60.67 2jps n SER 60 Cb 0.56 -1.50 0.23 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.15 1.02 -0.70 1.43 -0.00 -1.98 -1.12 114.38 114.19 2jps h ARG 61 Ca -0.49 -0.06 0.08 0.00 -0.50 0.00 0.00 59.98 59.01 2jps h ARG 61 Cb 1.33 -0.23 -0.04 0.00 0.00 0.00 0.00 29.97 31.02 2jps h ARG 61 CO 0.55 0.68 0.46 0.38 0.00 0.00 0.00 179.97 182.04 2jps h ASP 62 N 1.05 0.57 -0.52 7.04 3.04 -1.99 0.55 116.42 126.17 2jps h ASP 62 Ca 0.45 0.01 -0.09 0.00 -3.24 0.00 0.00 57.03 54.15 2jps h ASP 62 Cb 0.32 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 38.48 2jps h ASP 62 CO -0.20 0.36 -0.03 0.74 -2.04 0.00 0.00 179.24 178.06 2jps h THR 63 N 0.64 1.27 -0.16 1.15 2.02 -1.55 -0.46 112.91 115.82 2jps h THR 63 Ca 0.31 -1.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 2jps h THR 63 Cb 0.39 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2jps h THR 63 CO -0.11 0.40 -0.12 -0.07 0.37 0.00 0.00 175.52 176.00 2jps h LEU 64 N 0.81 0.38 -1.45 2.58 3.38 -1.18 -2.93 115.31 116.89 2jps h LEU 64 Ca 0.14 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2jps h LEU 64 Cb 0.57 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2jps h LEU 64 CO 0.03 0.75 0.43 0.00 0.09 0.00 0.00 178.44 179.74 2jps h ALA 65 N 0.64 1.72 -0.37 1.53 0.00 -0.84 -1.03 119.26 120.92 2jps h ALA 65 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jps h ALA 65 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2jps h ALA 65 CO 0.03 0.19 0.20 -0.97 0.00 0.00 0.00 179.25 178.69 2jps h ASN 66 N 0.69 0.46 -0.09 0.00 -0.73 -0.91 0.26 115.58 115.27 2jps h ASN 66 Ca 0.27 -0.09 -0.13 0.00 1.87 0.00 0.00 56.30 58.22 2jps h ASN 66 Cb 0.20 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 2jps h ASN 66 CO -0.08 0.42 -0.38 0.58 -0.37 0.00 0.00 177.43 177.60 2jps h VAL 67 N 0.46 1.29 -0.43 2.57 2.07 -1.25 -2.58 116.25 118.39 2jps h VAL 67 Ca 0.13 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.01 2jps h VAL 67 Cb 0.07 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2jps h VAL 67 CO -0.02 0.49 -0.17 0.58 0.02 0.00 0.00 177.57 178.47 2jps h VAL 68 N 0.50 1.27 -0.30 2.57 2.07 -0.85 -2.64 116.25 118.87 2jps h VAL 68 Ca 0.05 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2jps h VAL 68 Cb 0.88 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2jps h VAL 68 CO 0.08 0.43 0.14 -0.61 0.02 0.00 0.00 177.57 177.63 2jps h GLN 69 N 0.73 0.43 0.00 1.57 4.15 -0.27 -2.35 115.11 119.37 2jps h GLN 69 Ca 0.11 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 2jps h GLN 69 Cb 0.68 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 2jps h GLN 69 CO 0.05 0.41 -0.14 0.00 -1.93 0.00 0.00 178.83 177.22 2jps h THR 70 N 0.35 1.06 -0.62 2.39 1.03 -1.38 -2.18 112.91 113.56 2jps h THR 70 Ca 0.10 -0.49 -0.08 0.00 -0.01 0.00 0.00 66.41 65.94 2jps h THR 70 Cb 0.12 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 68.44 2jps h THR 70 CO -0.01 0.14 0.09 0.00 -0.01 0.00 0.00 175.52 175.72 2jps h ALA 71 N 1.86 0.83 0.09 0.00 0.00 -1.05 0.27 119.26 121.26 2jps h ALA 71 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jps h ALA 71 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jps h ALA 71 CO 0.02 0.60 -0.04 0.74 0.00 0.00 0.00 179.25 180.57 2jps h PHE 72 N 0.95 -0.11 -0.86 0.00 0.04 -1.12 -1.56 116.94 114.28 2jps h PHE 72 Ca 0.19 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2jps h PHE 72 Cb 0.45 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.60 2jps h PHE 72 CO 0.03 0.15 0.55 0.74 -0.60 0.00 0.00 178.31 179.19 2jps h PHE 73 N -0.37 1.11 -0.97 -0.55 0.04 -1.35 -2.04 116.94 112.81 2jps h PHE 73 Ca -0.01 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.78 2jps h PHE 73 Cb 0.31 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 2jps h PHE 73 CO 0.01 0.71 0.65 0.00 -0.60 0.00 0.00 178.31 179.08 2jps h ALA 74 N 1.43 1.23 -0.97 2.45 0.00 -0.22 -2.02 119.26 121.16 2jps h ALA 74 Ca 0.31 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.25 2jps h ALA 74 Cb -0.10 -0.40 -0.07 0.00 0.00 0.00 0.00 17.79 17.22 2jps h ALA 74 CO -0.06 0.63 0.62 -0.07 0.00 0.00 0.00 179.25 180.36 2jps h LEU 75 N 1.32 0.93 -0.60 0.00 3.38 -0.53 -1.04 115.31 118.77 2jps h LEU 75 Ca 0.36 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 2jps h LEU 75 Cb -0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2jps h LEU 75 CO -0.08 0.56 0.01 -0.08 0.09 0.00 0.00 178.44 178.94 2jps h GLU 76 N 1.03 1.05 -0.65 1.13 4.22 -1.30 -2.52 114.58 117.54 2jps h GLU 76 Ca 0.44 -0.33 -0.07 0.00 0.08 0.00 0.00 59.36 59.49 2jps h GLU 76 Cb 0.33 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2jps h GLU 76 CO -0.20 1.02 0.15 0.00 -2.18 0.00 0.00 179.01 177.81 2jps h ALA 77 N 0.98 0.86 -0.84 2.92 0.00 -0.98 -2.70 119.26 119.51 2jps h ALA 77 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jps h ALA 77 Cb 0.55 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2jps h ALA 77 CO 0.03 0.58 0.48 -0.07 0.00 0.00 0.00 179.25 180.28 2jps h LEU 78 N 0.97 1.02 -1.89 0.00 3.38 -1.05 -1.19 115.31 116.55 2jps h LEU 78 Ca 0.20 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.17 2jps h LEU 78 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jps h LEU 78 CO 0.00 0.80 0.22 1.56 0.09 0.00 0.00 178.44 181.11 2jps h GLN 79 N 1.16 0.14 0.15 1.13 4.20 -1.12 -2.76 115.11 118.02 2jps h GLN 79 Ca 0.30 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.65 2jps h GLN 79 Cb -0.02 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2jps h GLN 79 CO -0.05 0.09 -1.82 1.96 -0.67 0.00 0.00 178.83 178.34 2jps h GLN 80 N 0.14 0.33 0.00 1.46 4.20 -1.31 -3.50 115.11 116.43 2jps h GLN 80 Ca 0.14 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2jps h GLN 80 Cb 0.40 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2jps h GLN 80 CO -0.02 1.27 0.00 0.41 -0.67 0.00 0.00 178.83 179.82 2jps n GLY 81 N 1.90 0.68 3.77 3.46 0.00 -0.53 -5.14 105.19 109.33 2jps n GLY 81 Ca -0.28 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 2.18 -0.11 1.61 2.12 -1.22 -5.00 118.70 118.27 2jps s GLU 82 Ca 0.00 -2.19 -0.00 0.00 0.36 0.00 0.00 54.97 53.14 2jps s GLU 82 Cb 0.00 -1.75 -0.02 0.00 0.26 0.00 0.00 34.13 32.62 2jps s GLU 82 CO 0.00 -0.34 -0.10 -1.54 -0.54 0.00 0.00 175.26 172.74 2jps s SER 83 N -3.95 4.27 -0.18 -1.70 1.04 -1.26 -4.96 113.70 106.95 2jps s SER 83 Ca 0.22 -0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.57 2jps s SER 83 Cb 0.02 -1.45 -0.24 0.00 0.10 0.00 0.00 66.02 64.45 2jps s SER 83 CO 0.12 0.23 0.13 0.00 0.98 0.00 0.00 173.24 174.70 2jps n ALA 84 N 3.13 1.47 -0.20 5.32 0.00 -1.26 -4.38 120.51 124.59 2jps n ALA 84 Ca -0.18 -1.19 0.06 0.00 0.00 0.00 0.00 53.44 52.13 2jps n ALA 84 Cb 0.53 -0.29 0.33 0.00 0.00 0.00 0.00 19.45 20.02 2jps n ALA 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jps h GLU 85 N 0.00 0.78 -0.78 0.00 4.11 -1.95 -1.74 114.58 115.01 2jps h GLU 85 Ca -0.51 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 58.92 2jps h GLU 85 Cb 2.16 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 31.18 2jps h GLU 85 CO 0.02 0.52 0.51 -0.91 0.07 0.00 0.00 179.01 179.22 2jps h ASN 86 N 0.81 0.80 -0.28 3.06 2.35 -2.02 -1.51 115.58 118.79 2jps h ASN 86 Ca 0.32 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.99 2jps h ASN 86 Cb 0.23 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2jps h ASN 86 CO -0.11 0.54 -0.07 0.40 -1.65 0.00 0.00 177.43 176.54 2jps h ILE 87 N 0.93 1.24 -0.77 2.81 1.08 -1.55 -2.73 117.51 118.52 2jps h ILE 87 Ca 0.31 -1.04 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 2jps h ILE 87 Cb 0.09 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 2jps h ILE 87 CO -0.10 0.35 0.51 0.58 -0.69 0.00 0.00 178.15 178.81 2jps h VAL 88 N 0.62 1.20 -0.86 1.67 2.07 -1.21 -2.02 116.25 117.71 2jps h VAL 88 Ca 0.11 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.35 2jps h VAL 88 Cb 0.50 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 2jps h VAL 88 CO 0.03 0.19 0.53 0.28 0.02 0.00 0.00 177.57 178.61 2jps h SER 89 N 1.05 0.81 0.02 0.57 0.02 -1.35 0.21 113.55 114.87 2jps h SER 89 Ca 0.28 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 2jps h SER 89 Cb -0.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2jps h SER 89 CO -0.06 0.50 -0.41 0.50 -1.14 0.00 0.00 176.83 176.21 2jps h LYS 90 N 0.93 0.49 -0.30 3.45 3.64 -1.43 -2.97 116.57 120.38 2jps h LYS 90 Ca 0.39 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 2jps h LYS 90 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2jps h LYS 90 CO -0.20 0.82 -0.44 0.82 -2.27 0.00 0.00 179.45 178.18 2jps h ILE 91 N 0.41 1.29 -0.75 2.00 1.08 -0.64 -2.46 117.51 118.44 2jps h ILE 91 Ca 0.03 -1.63 0.03 0.00 -0.39 0.00 0.00 64.86 62.90 2jps h ILE 91 Cb 0.90 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 2jps h ILE 91 CO 0.08 0.53 0.49 0.03 -0.69 0.00 0.00 178.15 178.59 2jps h ARG 92 N 0.63 0.92 -0.19 2.37 3.08 -0.52 0.77 114.38 121.44 2jps h ARG 92 Ca 0.04 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2jps h ARG 92 Cb 1.01 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.86 2jps h ARG 92 CO 0.10 0.61 -0.62 1.98 -1.07 0.00 0.00 179.97 180.96 2jps h MET 93 N 0.95 0.75 -0.34 0.04 4.05 -1.39 -1.97 114.93 117.02 2jps h MET 93 Ca 0.29 -0.56 -0.17 0.00 -0.28 0.00 0.00 59.70 58.99 2jps h MET 93 Cb -0.01 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 2jps h MET 93 CO -0.08 1.18 -0.44 1.98 0.23 0.00 0.00 176.91 179.78 2jps h MET 94 N 0.47 0.87 -0.48 0.39 -1.53 -0.92 -2.99 114.93 110.73 2jps h MET 94 Ca -0.02 -0.49 -0.05 0.00 -3.44 0.00 0.00 59.70 55.70 2jps h MET 94 Cb 1.25 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 32.30 2jps h MET 94 CO 0.13 1.13 0.11 -0.91 0.14 0.00 0.00 176.91 177.51 2jps h ASN 95 N 0.70 0.68 -0.99 1.39 -0.26 0.56 -2.57 115.58 115.08 2jps h ASN 95 Ca 0.04 -0.11 0.01 0.00 -0.56 0.00 0.00 56.30 55.68 2jps h ASN 95 Cb 1.03 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 38.06 2jps h ASN 95 CO 0.10 0.68 0.66 0.00 -1.06 0.00 0.00 177.43 177.81 2jps h ALA 96 N 1.41 1.30 -0.90 -0.83 0.00 -1.21 -2.26 119.26 116.77 2jps h ALA 96 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jps h ALA 96 Cb 0.27 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2jps h ALA 96 CO -0.00 0.65 0.56 0.37 0.00 0.00 0.00 179.25 180.83 2jps h GLN 97 N 1.34 1.21 -0.73 0.00 4.15 -1.40 0.22 115.11 119.91 2jps h GLN 97 Ca 0.36 -0.10 0.07 0.00 0.77 0.00 0.00 58.65 59.76 2jps h GLN 97 Cb -0.15 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 27.23 2jps h GLN 97 CO -0.08 0.83 0.48 0.77 -1.93 0.00 0.00 178.83 178.90 2jps h SER 98 N 1.23 0.64 -0.60 -0.69 0.02 -1.34 -2.51 113.55 110.30 2jps h SER 98 Ca 0.33 0.01 -0.42 0.00 -0.84 0.00 0.00 61.79 60.86 2jps h SER 98 Cb -0.08 -0.13 -0.29 0.00 0.14 0.00 0.00 62.40 62.03 2jps h SER 98 CO -0.06 0.41 -0.45 0.18 -1.14 0.00 0.00 176.83 175.76 2jps n LEU 99 N -4.48 4.80 0.00 5.07 4.77 -0.81 -4.81 117.00 121.54 2jps n LEU 99 Ca 0.11 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 2jps n LEU 99 Cb 0.26 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2jps n LEU 99 CO 0.33 1.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 2jps n GLY 100 N -0.87 -0.45 3.75 -0.72 0.00 0.00 -4.99 105.19 101.92 2jps n GLY 100 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.29 -4.61 -3.14 1.61 3.00 -1.26 -3.49 117.38 107.20 2jps n GLN 101 Ca 0.00 0.58 -0.19 0.00 -0.01 0.00 0.00 57.00 57.37 2jps n GLN 101 Cb 0.00 -5.06 0.02 0.00 0.00 0.00 0.00 30.24 25.20 2jps n GLN 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2jps n SER 102 N -3.04 -6.94 -2.17 1.08 7.64 -1.26 -4.94 113.62 103.99 2jps n SER 102 Ca -0.30 0.18 -0.23 0.00 1.01 0.00 0.00 58.87 59.53 2jps n SER 102 Cb 0.68 -3.90 0.02 0.00 -1.01 0.00 0.00 64.21 59.99 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 -0.47 4.65 -3.14 6.43 2.03 -1.23 -4.84 116.55 119.99 2jps n ASP 103 Ca 0.02 -3.63 -0.19 0.00 0.52 0.00 0.00 54.79 51.50 2jps n ASP 103 Cb 0.55 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 2jps n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jps n ILE 104 N -0.65 -0.37 -0.53 5.18 0.13 -1.26 -5.17 119.36 116.70 2jps n ILE 104 Ca 0.40 -3.99 0.00 0.00 -1.10 0.00 0.00 62.75 58.07 2jps n ILE 104 Cb 0.90 -0.74 0.00 0.00 -0.84 0.00 0.00 39.64 38.96 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35