#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 -0.13 -0.74 7.83 1.04 -1.26 -4.96 113.70 115.48 2jps s SER 2 Ca 0.00 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.69 2jps s SER 2 Cb 0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2jps s SER 2 CO 0.00 -0.09 0.66 0.00 0.98 0.00 0.00 173.24 174.79 2jps n GLN 3 N 3.48 -1.48 -0.08 4.02 1.13 -1.26 -4.96 117.38 118.24 2jps n GLN 3 Ca -0.18 1.29 -0.18 0.00 -1.94 0.00 0.00 57.00 55.99 2jps n GLN 3 Cb 0.56 -4.51 -0.13 0.00 0.11 0.00 0.00 30.24 26.28 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 -1.91 0.69 -0.28 -1.09 2.13 -1.26 -3.52 120.64 115.40 2jps n GLU 4 Ca -0.10 0.18 0.12 0.00 0.66 0.00 0.00 57.16 58.03 2jps n GLU 4 Cb 0.57 -1.60 0.38 0.00 0.27 0.00 0.00 31.44 31.06 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2jps h GLN 5 N 0.02 0.67 -0.03 5.31 3.07 -1.99 0.50 115.11 122.66 2jps h GLN 5 Ca -0.51 -0.04 -0.22 0.00 0.09 0.00 0.00 58.65 57.96 2jps h GLN 5 Cb 1.97 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 29.39 2jps h GLN 5 CO -0.01 0.44 -0.90 1.88 0.09 0.00 0.00 178.83 180.33 2jps h TYR 6 N 0.69 0.72 -0.58 0.06 0.05 -1.97 -2.41 116.97 113.52 2jps h TYR 6 Ca 0.46 -0.37 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 2jps h TYR 6 Cb 0.76 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 2jps h TYR 6 CO -0.00 1.18 -0.03 1.15 -1.05 0.00 0.00 178.16 179.41 2jps h THR 7 N 0.30 1.26 -0.35 -2.88 2.02 -0.81 0.90 112.91 113.35 2jps h THR 7 Ca -0.07 -1.18 -0.17 0.00 0.77 0.00 0.00 66.41 65.76 2jps h THR 7 Cb 1.52 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2jps h THR 7 CO 0.16 0.42 -0.44 -0.08 0.37 0.00 0.00 175.52 175.96 2jps h GLU 8 N 0.94 0.91 0.02 6.66 4.57 -0.16 0.20 114.58 127.73 2jps h GLU 8 Ca 0.16 -0.52 -0.25 0.00 -1.18 0.00 0.00 59.36 57.57 2jps h GLU 8 Cb 0.58 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2jps h GLU 8 CO 0.03 1.16 -1.04 -0.91 -1.18 0.00 0.00 179.01 177.08 2jps h ASN 9 N 0.72 0.72 -0.24 1.04 4.21 -1.31 -3.15 115.58 117.57 2jps h ASN 9 Ca 0.04 -0.60 -0.12 0.00 1.21 0.00 0.00 56.30 56.84 2jps h ASN 9 Cb 1.04 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 2jps h ASN 9 CO 0.10 1.40 -0.28 0.25 -1.29 0.00 0.00 177.43 177.62 2jps h LEU 10 N 0.29 0.75 -1.69 1.61 5.85 0.87 -2.76 115.31 120.24 2jps h LEU 10 Ca -0.12 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2jps h LEU 10 Cb 1.69 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2jps h LEU 10 CO 0.19 0.99 0.21 0.50 -0.34 0.00 0.00 178.44 179.99 2jps h LYS 11 N 0.63 0.42 -0.09 1.25 3.64 -0.62 0.17 116.57 121.98 2jps h LYS 11 Ca 0.08 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2jps h LYS 11 Cb 0.79 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2jps h LYS 11 CO 0.06 0.28 -0.33 0.28 -2.27 0.00 0.00 179.45 177.47 2jps h VAL 12 N 0.43 1.40 -0.36 2.00 2.07 -1.45 -2.18 116.25 118.16 2jps h VAL 12 Ca 0.12 -1.69 -0.09 0.00 0.82 0.00 0.00 66.70 65.85 2jps h VAL 12 Cb -0.05 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2jps h VAL 12 CO -0.03 0.49 -0.14 0.40 0.02 0.00 0.00 177.57 178.32 2jps h ILE 13 N -0.08 1.25 -0.58 4.57 2.04 -1.20 -2.55 117.51 120.97 2jps h ILE 13 Ca -0.02 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 2jps h ILE 13 Cb 0.97 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2jps h ILE 13 CO 0.07 0.38 0.11 0.58 0.00 0.00 0.00 178.15 179.30 2jps h VAL 14 N 0.59 1.25 -0.56 1.67 2.07 -0.67 -2.52 116.25 118.09 2jps h VAL 14 Ca 0.10 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2jps h VAL 14 Cb 0.58 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2jps h VAL 14 CO 0.04 0.35 0.32 0.00 0.02 0.00 0.00 177.57 178.30 2jps h ALA 15 N 1.02 1.52 -0.80 1.67 0.00 -1.11 -1.97 119.26 119.58 2jps h ALA 15 Ca 0.18 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.17 2jps h ALA 15 Cb 0.39 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2jps h ALA 15 CO 0.01 0.41 0.53 1.49 0.00 0.00 0.00 179.25 181.69 2jps h GLU 16 N 0.77 0.45 0.00 0.00 4.81 -1.04 0.83 114.58 120.39 2jps h GLU 16 Ca 0.20 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2jps h GLU 16 Cb -0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2jps h GLU 16 CO -0.04 0.29 -0.36 -0.22 -0.73 0.00 0.00 179.01 177.96 2jps h LYS 17 N 0.46 0.00 -0.29 1.92 3.11 -1.40 -2.44 116.57 117.94 2jps h LYS 17 Ca 0.40 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.24 2jps h LYS 17 Cb 0.89 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 2jps h LYS 17 CO -0.14 0.93 0.16 -0.07 -2.81 0.00 0.00 179.45 177.52 2jps h LEU 18 N -1.00 0.35 -1.59 5.20 3.38 -1.14 0.61 115.31 121.12 2jps h LEU 18 Ca -0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2jps h LEU 18 Cb 1.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2jps h LEU 18 CO -0.06 0.32 -0.22 0.00 0.09 0.00 0.00 178.44 178.57 2jps h ALA 19 N 1.04 1.41 0.12 1.53 0.00 0.52 -2.89 119.26 120.99 2jps h ALA 19 Ca 0.10 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 2jps h ALA 19 Cb 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jps h ALA 19 CO -0.02 0.28 -1.22 0.78 0.00 0.00 0.00 179.25 179.07 2jps h GLY 20 N 0.92 0.34 -5.01 0.00 0.00 -0.85 -3.46 103.07 95.01 2jps h GLY 20 Ca -0.00 -0.83 -0.62 0.00 0.00 0.00 0.00 47.33 45.89 2jps h GLY 20 CO 0.03 0.72 0.58 1.39 0.00 0.00 0.00 176.54 179.27 2jps n ILE 21 N -3.56 0.38 0.27 2.60 5.41 0.14 -4.86 119.36 119.74 2jps n ILE 21 Ca -0.09 -0.10 0.16 0.00 1.00 0.00 0.00 62.75 63.73 2jps n ILE 21 Cb 1.01 -1.24 0.72 0.00 -0.71 0.00 0.00 39.64 39.42 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 4.76 0.00 -0.87 0.38 0.13 -1.88 -2.95 132.00 131.57 2jps h PRO 22 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 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 0.07 0.51 0.09 -0.23 0.00 0.00 178.00 179.23 2jps n ASN 23 N -3.25 4.26 -3.61 1.44 4.13 -1.26 -4.77 115.26 112.20 2jps n ASN 23 Ca -0.00 -3.68 -0.28 0.00 1.68 0.00 0.00 54.58 52.29 2jps n ASN 23 Cb 0.29 -0.81 -0.12 0.00 -1.54 0.00 0.00 39.78 37.60 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2jps s PHE 24 N -3.40 1.82 -0.23 3.10 2.19 -1.12 -4.95 117.98 115.39 2jps s PHE 24 Ca 0.56 -2.45 -0.06 0.00 0.33 0.00 0.00 56.93 55.30 2jps s PHE 24 Cb 0.47 -1.60 -0.12 0.00 -1.31 0.00 0.00 43.02 40.46 2jps s PHE 24 CO 0.06 -0.76 -0.26 -1.71 1.83 0.00 0.00 175.22 174.38 2jps n ASN 25 N 3.10 1.92 -4.90 6.13 5.15 -1.26 -4.73 115.26 120.66 2jps n ASN 25 Ca 0.18 0.12 -0.21 0.00 -0.60 0.00 0.00 54.58 54.08 2jps n ASN 25 Cb 0.39 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 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 -2.44 2.89 -1.55 1.20 2.12 -1.26 -4.54 118.70 115.11 2jps s GLU 26 Ca -0.32 -1.17 -0.14 0.00 0.36 0.00 0.00 54.97 53.69 2jps s GLU 26 Cb 0.11 -2.60 0.09 0.00 0.26 0.00 0.00 34.13 31.99 2jps s GLU 26 CO 0.46 0.12 0.97 -0.25 -0.54 0.00 0.00 175.26 176.02 2jps n ASP 27 N -1.44 -4.71 -0.07 -1.70 9.92 -1.26 -4.88 116.55 112.41 2jps n ASP 27 Ca -0.02 -0.80 -0.19 0.00 -0.53 0.00 0.00 54.79 53.25 2jps n ASP 27 Cb 0.59 -3.78 -0.13 0.00 -0.64 0.00 0.00 41.12 37.16 2jps n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jps n ILE 28 N -4.67 1.62 -0.11 0.53 0.00 -1.26 -3.51 119.36 111.96 2jps n ILE 28 Ca 0.05 -0.63 -0.13 0.00 0.00 0.00 0.00 62.75 62.04 2jps n ILE 28 Cb 0.52 -1.51 -0.03 0.00 0.00 0.00 0.00 39.64 38.63 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 0.03 0.87 -0.60 9.51 1.79 -1.94 -2.59 116.57 123.65 2jps h LYS 29 Ca -0.50 -0.46 -0.07 0.00 -2.18 0.00 0.00 60.65 57.44 2jps h LYS 29 Cb 1.98 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.61 2jps h LYS 29 CO -0.00 1.10 0.08 1.88 -1.08 0.00 0.00 179.45 181.43 2jps h TYR 30 N 0.68 1.04 -0.76 -1.35 0.05 -1.97 -1.98 116.97 112.67 2jps h TYR 30 Ca 0.06 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 2jps h TYR 30 Cb 0.93 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 2jps h TYR 30 CO 0.07 0.89 0.34 0.28 -1.05 0.00 0.00 178.16 178.68 2jps h VAL 31 N 0.92 1.25 -0.45 -2.88 2.07 -1.57 -0.65 116.25 114.94 2jps h VAL 31 Ca 0.18 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 2jps h VAL 31 Cb 0.43 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2jps h VAL 31 CO 0.01 0.31 -0.03 0.00 0.02 0.00 0.00 177.57 177.88 2jps h ALA 32 N 1.17 0.61 -0.62 1.67 0.00 -1.19 -0.03 119.26 120.87 2jps h ALA 32 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jps h ALA 32 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2jps h ALA 32 CO -0.03 0.44 0.29 0.93 0.00 0.00 0.00 179.25 180.88 2jps h GLU 33 N 0.67 0.90 -0.61 0.00 5.08 -1.06 -0.58 114.58 118.98 2jps h GLU 33 Ca 0.12 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2jps h GLU 33 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jps h GLU 33 CO 0.03 0.73 0.01 -0.92 -1.00 0.00 0.00 179.01 177.86 2jps h TYR 34 N 0.85 1.14 -0.45 4.33 3.20 -0.96 -0.86 116.97 124.24 2jps h TYR 34 Ca 0.21 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jps h TYR 34 Cb 0.14 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2jps h TYR 34 CO 0.00 1.00 0.26 0.82 -1.64 0.00 0.00 178.16 178.60 2jps h ILE 35 N 0.97 1.15 -0.71 1.81 2.04 -0.52 -0.72 117.51 121.52 2jps h ILE 35 Ca 0.17 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2jps h ILE 35 Cb 0.54 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2jps h ILE 35 CO 0.03 0.15 0.24 0.58 0.00 0.00 0.00 178.15 179.15 2jps h VAL 36 N 0.59 1.26 -0.91 1.67 2.07 -0.88 0.07 116.25 120.12 2jps h VAL 36 Ca 0.16 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.85 2jps h VAL 36 Cb 0.02 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2jps h VAL 36 CO -0.03 0.34 0.59 0.25 0.02 0.00 0.00 177.57 178.74 2jps h LEU 37 N 1.04 0.99 -0.56 2.57 6.46 -0.61 0.93 115.31 126.13 2jps h LEU 37 Ca 0.23 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.87 2jps h LEU 37 Cb 0.27 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2jps h LEU 37 CO -0.01 0.69 -0.11 -0.07 -0.62 0.00 0.00 178.44 178.31 2jps h LEU 38 N 1.16 1.04 -0.16 2.25 3.38 -0.61 0.19 115.31 122.56 2jps h LEU 38 Ca 0.35 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jps h LEU 38 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2jps h LEU 38 CO -0.11 1.15 -0.02 0.40 0.09 0.00 0.00 178.44 179.95 2jps h ILE 39 N 0.92 1.28 0.00 1.22 1.08 0.26 0.84 117.51 123.11 2jps h ILE 39 Ca 0.14 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.63 2jps h ILE 39 Cb 0.69 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 2jps h ILE 39 CO 0.05 0.28 -0.21 1.62 -0.69 0.00 0.00 178.15 179.20 2jps h VAL 40 N 0.01 0.67 -0.04 1.67 3.04 0.92 -3.04 116.25 119.46 2jps h VAL 40 Ca 0.04 -0.90 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2jps h VAL 40 Cb 0.43 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2jps h VAL 40 CO 0.01 0.20 -0.04 0.59 -1.01 0.00 0.00 177.57 177.32 2jps n ASN 41 N -3.59 2.51 0.00 3.17 3.02 0.05 -4.88 115.26 115.53 2jps n ASN 41 Ca -0.01 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 2jps n ASN 41 Cb 0.34 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.28 -1.81 3.28 7.41 0.00 0.29 -4.95 105.19 108.13 2jps n GLY 42 Ca 0.17 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.54 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 1.81 2.71 -0.02 0.00 -1.16 -4.31 105.19 104.22 2jps n GLY 43 Ca 0.00 -1.05 -0.25 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 6.99 0.25 0.31 2.61 -4.23 -1.26 -5.03 115.64 115.28 2jps s THR 44 Ca 0.62 -0.10 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 2jps s THR 44 Cb 0.11 -0.64 0.31 0.00 1.34 0.00 0.00 72.50 73.62 2jps s THR 44 CO 0.16 -0.01 1.78 0.58 -0.54 0.00 0.00 174.62 176.59 2jps h VAL 45 N 6.42 0.70 0.24 2.29 2.07 -1.96 0.83 116.25 126.84 2jps h VAL 45 Ca -0.16 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2jps h VAL 45 Cb 1.13 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2jps h VAL 45 CO 0.27 0.13 -0.12 -0.33 0.02 0.00 0.00 177.57 177.55 2jps h GLU 46 N 0.73 -0.31 -0.24 1.57 5.08 -1.96 0.64 114.58 120.09 2jps h GLU 46 Ca 0.57 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.84 2jps h GLU 46 Cb 0.94 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2jps h GLU 46 CO -0.37 -0.05 -0.33 1.03 -1.00 0.00 0.00 179.01 178.30 2jps h SER 47 N -0.55 0.53 0.05 1.42 0.87 -1.74 0.27 113.55 114.39 2jps h SER 47 Ca -0.03 -0.21 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 2jps h SER 47 Cb 0.41 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2jps h SER 47 CO 0.05 0.82 -0.58 0.58 -0.53 0.00 0.00 176.83 177.17 2jps h VAL 48 N 0.44 1.33 0.00 2.23 2.07 0.79 0.15 116.25 123.24 2jps h VAL 48 Ca 0.05 -1.85 -0.24 0.00 0.82 0.00 0.00 66.70 65.48 2jps h VAL 48 Cb 0.79 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2jps h VAL 48 CO 0.06 0.57 -0.99 0.58 0.02 0.00 0.00 177.57 177.82 2jps h VAL 49 N 0.41 1.35 -0.27 2.57 2.07 0.45 -2.02 116.25 120.81 2jps h VAL 49 Ca 0.00 -2.37 -0.15 0.00 0.82 0.00 0.00 66.70 65.00 2jps h VAL 49 Cb 1.14 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 2jps h VAL 49 CO 0.11 0.72 -0.43 0.44 0.02 0.00 0.00 177.57 178.42 2jps h ASP 50 N 0.30 0.73 -0.35 0.57 3.32 -0.91 0.37 116.42 120.45 2jps h ASP 50 Ca -0.10 -0.34 -0.16 0.00 0.02 0.00 0.00 57.03 56.44 2jps h ASP 50 Cb 1.63 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.97 2jps h ASP 50 CO 0.18 1.07 -0.41 -0.33 -1.72 0.00 0.00 179.24 178.02 2jps h GLU 51 N 0.55 0.89 -0.21 3.56 3.07 -0.98 -0.56 114.58 120.90 2jps h GLU 51 Ca 0.04 -0.50 -0.18 0.00 -0.50 0.00 0.00 59.36 58.23 2jps h GLU 51 Cb 0.98 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2jps h GLU 51 CO 0.09 1.14 -0.58 -0.07 -1.40 0.00 0.00 179.01 178.19 2jps h LEU 52 N 0.70 0.74 -0.60 1.33 3.38 -1.31 -2.88 115.31 116.67 2jps h LEU 52 Ca 0.05 -0.41 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 2jps h LEU 52 Cb 1.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2jps h LEU 52 CO 0.10 1.16 -0.23 0.00 0.09 0.00 0.00 178.44 179.56 2jps h ALA 53 N 0.85 0.79 -0.48 1.53 0.00 -0.86 0.85 119.26 121.94 2jps h ALA 53 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2jps h ALA 53 Cb 1.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2jps h ALA 53 CO 0.12 0.65 0.24 0.77 0.00 0.00 0.00 179.25 181.03 2jps h SER 54 N 0.74 0.60 0.11 0.00 0.02 -1.03 -2.41 113.55 111.57 2jps h SER 54 Ca 0.10 -0.05 -0.36 0.00 -0.84 0.00 0.00 61.79 60.64 2jps h SER 54 Cb 0.77 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2jps h SER 54 CO 0.06 0.50 -1.96 -0.11 -1.14 0.00 0.00 176.83 174.19 2jps n LEU 55 N -4.39 2.58 -3.94 5.07 0.00 -1.09 -4.49 117.00 110.74 2jps n LEU 55 Ca 0.04 0.21 -0.39 0.00 0.00 0.00 0.00 56.01 55.87 2jps n LEU 55 Cb 0.12 -1.10 -0.02 0.00 0.00 0.00 0.00 43.42 42.42 2jps n LEU 55 CO 0.37 0.80 0.78 0.49 0.00 0.00 0.00 177.39 179.83 2jps n PHE 56 N -3.57 3.17 1.21 1.96 3.72 0.29 -4.84 117.46 119.41 2jps n PHE 56 Ca -0.33 -3.27 0.12 0.00 -0.05 0.00 0.00 57.45 53.93 2jps n PHE 56 Cb 1.01 -1.16 0.64 0.00 -0.94 0.00 0.00 39.48 39.03 2jps n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2jps n ASP 57 N 1.52 0.00 -1.94 4.37 9.92 -0.92 -3.38 116.55 126.12 2jps n ASP 57 Ca 0.26 -0.13 -0.05 0.00 -0.53 0.00 0.00 54.79 54.34 2jps n ASP 57 Cb 0.36 -0.26 0.30 0.00 -0.64 0.00 0.00 41.12 40.87 2jps n ASP 57 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2jps n SER 58 N -1.26 4.74 -4.36 -2.24 2.88 -1.26 -4.93 113.62 107.19 2jps n SER 58 Ca 0.12 -3.11 -0.26 0.00 -1.33 0.00 0.00 58.87 54.29 2jps n SER 58 Cb 0.19 -0.73 -0.12 0.00 -0.75 0.00 0.00 64.21 62.80 2jps n SER 58 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jps s VAL 59 N -2.81 2.04 0.33 2.46 1.01 -1.22 -5.12 120.40 117.10 2jps s VAL 59 Ca 0.52 -1.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 2jps s VAL 59 Cb 0.41 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 2jps s VAL 59 CO 0.13 -0.08 1.14 -0.44 0.00 0.00 0.00 175.10 175.84 2jps s SER 60 N -2.29 6.94 0.41 3.32 0.01 -1.26 -4.91 113.70 115.92 2jps s SER 60 Ca 0.14 2.31 0.15 0.00 1.31 0.00 0.00 55.95 59.87 2jps s SER 60 Cb -0.09 -2.62 1.02 0.00 0.21 0.00 0.00 66.02 64.55 2jps s SER 60 CO 0.07 -0.38 1.87 0.03 0.41 0.00 0.00 173.24 175.23 2jps h ARG 61 N 3.27 0.45 -0.25 12.44 2.47 -1.99 0.26 114.38 131.03 2jps h ARG 61 Ca -0.48 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.15 2jps h ARG 61 Cb 1.22 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 2jps h ARG 61 CO 0.65 0.30 -0.13 0.22 0.56 0.00 0.00 179.97 181.57 2jps h ASP 62 N 0.47 0.40 -0.25 7.04 3.58 -1.98 0.78 116.42 126.46 2jps h ASP 62 Ca 0.45 -0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.65 2jps h ASP 62 Cb 1.02 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2jps h ASP 62 CO -0.18 0.57 -0.44 0.74 -2.88 0.00 0.00 179.24 177.05 2jps h THR 63 N 0.39 1.30 -0.28 2.25 2.02 -1.32 -0.09 112.91 117.19 2jps h THR 63 Ca 0.07 -1.64 -0.19 0.00 0.77 0.00 0.00 66.41 65.42 2jps h THR 63 Cb 0.46 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2jps h THR 63 CO 0.03 0.52 -0.55 -0.07 0.37 0.00 0.00 175.52 175.82 2jps h LEU 64 N 0.47 0.97 -1.08 2.58 4.07 -1.30 -2.77 115.31 118.24 2jps h LEU 64 Ca 0.02 -0.54 -0.09 0.00 0.08 0.00 0.00 57.88 57.34 2jps h LEU 64 Cb 1.04 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2jps h LEU 64 CO 0.10 1.33 -0.37 0.00 -1.08 0.00 0.00 178.44 178.42 2jps h ALA 65 N 0.67 1.23 -0.47 1.53 0.00 -0.84 -1.66 119.26 119.72 2jps h ALA 65 Ca 0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2jps h ALA 65 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2jps h ALA 65 CO 0.12 0.53 -0.15 -0.97 0.00 0.00 0.00 179.25 178.78 2jps h ASN 66 N 0.15 0.95 -0.14 0.00 -0.73 -0.89 0.32 115.58 115.24 2jps h ASN 66 Ca 0.02 -0.38 -0.21 0.00 1.87 0.00 0.00 56.30 57.60 2jps h ASN 66 Cb 0.72 -0.26 0.01 0.00 0.27 0.00 0.00 38.32 39.06 2jps h ASN 66 CO 0.05 1.11 -0.70 0.58 -0.37 0.00 0.00 177.43 178.10 2jps h VAL 67 N 0.78 1.29 -0.38 2.57 2.07 -1.35 -2.71 116.25 118.52 2jps h VAL 67 Ca 0.11 -1.91 -0.07 0.00 0.82 0.00 0.00 66.70 65.65 2jps h VAL 67 Cb 0.72 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2jps h VAL 67 CO 0.05 0.61 -0.05 0.58 0.02 0.00 0.00 177.57 178.79 2jps h VAL 68 N 0.55 1.23 -0.10 2.57 2.07 -1.23 -2.30 116.25 119.04 2jps h VAL 68 Ca -0.03 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2jps h VAL 68 Cb 1.32 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jps h VAL 68 CO 0.14 0.33 0.03 -0.61 0.02 0.00 0.00 177.57 177.49 2jps h GLN 69 N 0.58 0.15 -0.04 1.57 4.15 -0.81 -2.54 115.11 118.17 2jps h GLN 69 Ca 0.11 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 2jps h GLN 69 Cb 0.44 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2jps h GLN 69 CO 0.02 0.29 -0.08 0.00 -1.93 0.00 0.00 178.83 177.13 2jps h THR 70 N -0.02 1.08 -0.70 2.39 1.03 -1.33 -1.84 112.91 113.53 2jps h THR 70 Ca 0.03 -0.37 -0.05 0.00 -0.01 0.00 0.00 66.41 66.01 2jps h THR 70 Cb 0.20 1.14 -0.03 0.00 -1.07 0.00 0.00 68.15 68.39 2jps h THR 70 CO -0.00 0.11 0.23 0.00 -0.01 0.00 0.00 175.52 175.85 2jps h ALA 71 N 1.87 0.91 -0.19 0.00 0.00 -1.02 0.57 119.26 121.41 2jps h ALA 71 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2jps h ALA 71 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jps h ALA 71 CO 0.01 0.58 0.01 0.74 0.00 0.00 0.00 179.25 180.59 2jps h PHE 72 N 1.02 0.35 -0.62 0.00 0.04 -1.01 0.87 116.94 117.58 2jps h PHE 72 Ca 0.23 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 2jps h PHE 72 Cb 0.28 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 2jps h PHE 72 CO 0.02 0.51 0.31 0.35 -0.60 0.00 0.00 178.31 178.90 2jps h PHE 73 N 0.09 0.89 -0.40 -0.55 3.57 -1.13 0.37 116.94 119.78 2jps h PHE 73 Ca 0.05 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2jps h PHE 73 Cb 0.37 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2jps h PHE 73 CO 0.03 0.67 -0.10 0.00 -2.23 0.00 0.00 178.31 176.67 2jps h ALA 74 N 1.14 0.55 -0.66 2.41 0.00 0.34 0.42 119.26 123.46 2jps h ALA 74 Ca 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jps h ALA 74 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2jps h ALA 74 CO -0.03 0.43 0.31 1.25 0.00 0.00 0.00 179.25 181.21 2jps h LEU 75 N 0.59 0.87 -0.29 0.00 5.85 0.12 0.31 115.31 122.76 2jps h LEU 75 Ca 0.10 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 2jps h LEU 75 Cb 0.63 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jps h LEU 75 CO 0.04 0.76 -0.41 -0.33 -0.34 0.00 0.00 178.44 178.16 2jps h GLU 76 N 0.91 0.78 -0.68 1.25 5.08 -0.10 -2.98 114.58 118.85 2jps h GLU 76 Ca 0.23 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2jps h GLU 76 Cb 0.13 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2jps h GLU 76 CO -0.03 1.09 0.26 0.00 -1.00 0.00 0.00 179.01 179.33 2jps h ALA 77 N 0.69 1.16 -0.94 3.43 0.00 0.19 -2.47 119.26 121.32 2jps h ALA 77 Ca 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jps h ALA 77 Cb 1.00 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2jps h ALA 77 CO 0.10 0.60 0.62 1.25 0.00 0.00 0.00 179.25 181.81 2jps h LEU 78 N 0.99 1.02 -2.03 0.00 7.12 -0.27 -1.00 115.31 121.15 2jps h LEU 78 Ca 0.23 -0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.33 2jps h LEU 78 Cb 0.22 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 2jps h LEU 78 CO -0.02 0.70 0.26 1.56 -0.13 0.00 0.00 178.44 180.81 2jps h GLN 79 N 1.18 0.00 0.11 1.25 4.20 -1.29 -2.64 115.11 117.92 2jps h GLN 79 Ca 0.37 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.72 2jps h GLN 79 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2jps h GLN 79 CO -0.11 0.00 -1.99 0.94 -0.67 0.00 0.00 178.83 177.00 2jps n GLN 80 N -4.35 0.75 0.00 1.46 7.27 -0.48 -5.01 117.38 117.01 2jps n GLN 80 Ca 0.05 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.38 2jps n GLN 80 Cb 0.43 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.37 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 1.97 -0.06 3.49 1.69 0.00 -0.59 -5.15 105.19 106.53 2jps n GLY 81 Ca -0.31 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 1.74 -0.07 1.61 2.56 -1.23 -4.94 118.70 118.37 2jps s GLU 82 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 54.97 53.23 2jps s GLU 82 Cb 0.00 -1.80 -0.03 0.00 2.00 0.00 0.00 34.13 34.31 2jps s GLU 82 CO 0.00 0.32 -0.09 -1.12 -0.56 0.00 0.00 175.26 173.81 2jps s SER 83 N -3.53 4.46 -0.21 -1.70 0.01 -1.26 -4.89 113.70 106.57 2jps s SER 83 Ca 0.30 -0.09 0.13 0.00 1.31 0.00 0.00 55.95 57.60 2jps s SER 83 Cb -0.05 -1.15 -0.22 0.00 0.21 0.00 0.00 66.02 64.81 2jps s SER 83 CO 0.15 0.33 -0.02 0.00 0.41 0.00 0.00 173.24 174.11 2jps n ALA 84 N 2.41 1.50 -0.31 1.44 0.00 -1.26 -4.46 120.51 119.83 2jps n ALA 84 Ca -0.18 -1.22 0.01 0.00 0.00 0.00 0.00 53.44 52.05 2jps n ALA 84 Cb 0.53 -0.14 0.20 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 1.11 -0.87 0.00 4.81 -1.95 -2.15 114.58 115.53 2jps h GLU 85 Ca -0.54 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2jps h GLU 85 Cb 2.10 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 31.18 2jps h GLU 85 CO -0.01 0.74 0.57 -0.91 -0.73 0.00 0.00 179.01 178.67 2jps h ASN 86 N 1.15 0.91 -0.32 1.04 2.35 -2.02 -1.66 115.58 117.04 2jps h ASN 86 Ca 0.35 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 56.03 2jps h ASN 86 Cb -0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2jps h ASN 86 CO -0.10 0.61 -0.03 0.40 -1.65 0.00 0.00 177.43 176.67 2jps h ILE 87 N 1.05 1.23 -0.68 2.81 2.04 -1.61 -2.67 117.51 119.68 2jps h ILE 87 Ca 0.35 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2jps h ILE 87 Cb 0.08 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2jps h ILE 87 CO -0.11 0.34 0.41 0.58 0.00 0.00 0.00 178.15 179.36 2jps h VAL 88 N 0.64 1.19 -0.83 1.67 2.07 -1.20 -2.08 116.25 117.70 2jps h VAL 88 Ca 0.13 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.32 2jps h VAL 88 Cb 0.44 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 2jps h VAL 88 CO 0.02 0.20 0.50 0.28 0.02 0.00 0.00 177.57 178.58 2jps h SER 89 N 0.93 0.75 0.05 0.57 0.02 -1.33 0.53 113.55 115.07 2jps h SER 89 Ca 0.24 0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 2jps h SER 89 Cb -0.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2jps h SER 89 CO -0.05 0.46 -0.48 0.11 -1.14 0.00 0.00 176.83 175.73 2jps h LYS 90 N 0.87 0.49 -0.27 3.45 1.57 -1.45 -2.70 116.57 118.53 2jps h LYS 90 Ca 0.38 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 2jps h LYS 90 Cb 0.26 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jps h LYS 90 CO -0.21 0.86 -0.55 0.82 -0.57 0.00 0.00 179.45 179.81 2jps h ILE 91 N 0.39 1.28 -0.66 1.86 1.08 -0.54 -2.08 117.51 118.85 2jps h ILE 91 Ca 0.02 -1.74 -0.01 0.00 -0.39 0.00 0.00 64.86 62.74 2jps h ILE 91 Cb 0.98 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.34 2jps h ILE 91 CO 0.09 0.56 0.36 -0.09 -0.69 0.00 0.00 178.15 178.38 2jps h ARG 92 N 0.63 0.91 -0.16 2.37 9.65 0.08 0.84 114.38 128.71 2jps h ARG 92 Ca 0.01 -0.09 -0.22 0.00 -1.10 0.00 0.00 59.98 58.58 2jps h ARG 92 Cb 1.14 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 29.55 2jps h ARG 92 CO 0.12 0.67 -0.77 1.98 2.80 0.00 0.00 179.97 184.77 2jps h MET 93 N 0.92 0.78 -0.09 0.20 4.05 -1.38 0.22 114.93 119.62 2jps h MET 93 Ca 0.23 -0.63 -0.21 0.00 -0.28 0.00 0.00 59.70 58.82 2jps h MET 93 Cb 0.02 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2jps h MET 93 CO -0.04 1.24 -0.79 0.52 0.23 0.00 0.00 176.91 178.07 2jps h MET 94 N 0.54 0.58 -0.11 0.39 2.86 -0.94 -1.99 114.93 116.26 2jps h MET 94 Ca -0.05 -0.49 -0.17 0.00 -2.06 0.00 0.00 59.70 56.93 2jps h MET 94 Cb 1.39 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 2jps h MET 94 CO 0.16 1.12 -0.65 -0.91 1.06 0.00 0.00 176.91 177.69 2jps h ASN 95 N 0.38 0.48 -0.20 1.22 2.35 0.67 -2.72 115.58 117.76 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 1.40 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2jps h ASN 95 CO 0.15 1.00 -0.44 0.00 -1.65 0.00 0.00 177.43 176.49 2jps h ALA 96 N 1.00 0.66 -0.66 -0.83 0.00 -0.93 -3.04 119.26 115.46 2jps h ALA 96 Ca -0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2jps h ALA 96 Cb 1.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2jps h ALA 96 CO 0.11 0.67 0.18 0.37 0.00 0.00 0.00 179.25 180.58 2jps h GLN 97 N 0.61 1.02 -0.66 0.00 4.15 -1.31 0.85 115.11 119.77 2jps h GLN 97 Ca 0.04 -0.22 0.05 0.00 0.77 0.00 0.00 58.65 59.29 2jps h GLN 97 Cb 1.00 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 2jps h GLN 97 CO 0.10 0.89 0.44 0.77 -1.93 0.00 0.00 178.83 179.09 2jps h SER 98 N 0.98 0.63 0.04 -0.69 0.02 -1.37 -3.17 113.55 109.98 2jps h SER 98 Ca 0.21 -0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.77 2jps h SER 98 Cb 0.31 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2jps h SER 98 CO -0.00 0.42 -2.31 0.18 -1.14 0.00 0.00 176.83 173.98 2jps n LEU 99 N -4.47 2.77 -1.78 5.07 4.77 -0.98 -5.09 117.00 117.30 2jps n LEU 99 Ca 0.09 0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 2jps n LEU 99 Cb 0.18 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 2jps n LEU 99 CO 0.34 0.87 -0.19 0.61 -1.33 0.00 0.00 177.39 177.69 2jps n GLY 100 N 2.09 -3.62 3.23 -0.72 0.00 0.29 -5.02 105.19 101.44 2jps n GLY 100 Ca -0.42 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2jps n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jps s GLN 101 N -0.95 2.92 -1.45 1.61 0.74 -1.26 -4.66 119.66 116.60 2jps s GLN 101 Ca -0.08 -0.93 -0.11 0.00 0.05 0.00 0.00 55.36 54.29 2jps s GLN 101 Cb 0.01 -3.04 0.07 0.00 1.10 0.00 0.00 33.01 31.15 2jps s GLN 101 CO 0.21 -0.39 0.73 0.43 -0.55 0.00 0.00 175.29 175.73 2jps n SER 102 N 4.71 -4.52 -3.27 6.67 7.64 -1.26 -4.94 113.62 118.64 2jps n SER 102 Ca -0.16 -0.57 -0.05 0.00 1.01 0.00 0.00 58.87 59.10 2jps n SER 102 Cb 0.48 -3.66 -0.05 0.00 -1.01 0.00 0.00 64.21 59.96 2jps n SER 102 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jps s ASP 103 N -2.99 -0.29 -0.20 6.43 2.15 -1.26 -5.04 116.67 115.47 2jps s ASP 103 Ca 0.52 0.27 -0.01 0.00 0.43 0.00 0.00 52.55 53.76 2jps s ASP 103 Cb -0.26 1.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 2jps s ASP 103 CO 0.64 -0.30 0.02 -0.38 -0.17 0.00 0.00 175.17 174.98 2jps n ILE 104 N 5.38 -8.79 -0.82 4.11 5.41 -1.26 -4.90 119.36 118.49 2jps n ILE 104 Ca -0.01 1.47 0.00 0.00 1.00 0.00 0.00 62.75 65.20 2jps n ILE 104 Cb 0.50 -5.60 0.00 0.00 -0.71 0.00 0.00 39.64 33.84 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55