#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 4.00 -0.68 7.83 0.15 -1.26 -5.09 113.70 118.65 2jps s SER 2 Ca 0.00 -0.69 0.01 0.00 0.70 0.00 0.00 55.95 55.98 2jps s SER 2 Cb 0.00 -0.57 0.17 0.00 -1.71 0.00 0.00 66.02 63.91 2jps s SER 2 CO 0.00 0.10 0.48 -1.10 1.20 0.00 0.00 173.24 173.92 2jps s GLN 3 N -2.87 2.54 -0.20 5.44 1.11 -1.26 -4.88 119.66 119.54 2jps s GLN 3 Ca 0.24 -2.96 -0.02 0.00 0.01 0.00 0.00 55.36 52.63 2jps s GLN 3 Cb -0.08 -3.59 -0.21 0.00 -1.01 0.00 0.00 33.01 28.12 2jps s GLN 3 CO 0.14 -1.21 0.03 0.39 0.01 0.00 0.00 175.29 174.65 2jps n GLU 4 N 2.69 0.70 -0.27 2.91 1.02 -1.26 -3.44 120.64 122.98 2jps n GLU 4 Ca 0.14 0.21 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 2jps n GLU 4 Cb 0.35 -1.60 0.34 0.00 -0.02 0.00 0.00 31.44 30.51 2jps n GLU 4 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2jps h GLN 5 N 0.00 0.75 -0.15 3.49 3.07 -2.00 0.14 115.11 120.42 2jps h GLN 5 Ca -0.51 -0.05 -0.21 0.00 0.09 0.00 0.00 58.65 57.97 2jps h GLN 5 Cb 1.95 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 29.34 2jps h GLN 5 CO -0.02 0.50 -0.76 1.88 0.09 0.00 0.00 178.83 180.52 2jps h TYR 6 N 0.77 0.97 -0.90 0.06 -1.99 -1.98 -2.80 116.97 111.11 2jps h TYR 6 Ca 0.43 -0.43 0.01 0.00 2.00 0.00 0.00 58.73 60.74 2jps h TYR 6 Cb 0.56 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.10 2jps h TYR 6 CO -0.00 1.24 0.60 1.15 -0.00 0.00 0.00 178.16 181.15 2jps h THR 7 N 0.50 1.23 -0.50 -2.88 2.02 -0.98 0.86 112.91 113.16 2jps h THR 7 Ca -0.04 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 2jps h THR 7 Cb 1.37 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2jps h THR 7 CO 0.15 0.22 -0.01 -0.33 0.37 0.00 0.00 175.52 175.92 2jps h GLU 8 N 1.22 0.90 -0.16 6.66 4.39 -0.80 0.81 114.58 127.60 2jps h GLU 8 Ca 0.33 -0.29 -0.21 0.00 0.34 0.00 0.00 59.36 59.53 2jps h GLU 8 Cb -0.14 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2jps h GLU 8 CO -0.07 0.94 -0.71 -0.91 -1.16 0.00 0.00 179.01 177.10 2jps h ASN 9 N 0.76 0.91 -0.64 1.42 4.21 -1.17 -3.12 115.58 117.95 2jps h ASN 9 Ca 0.14 -0.62 -0.02 0.00 1.21 0.00 0.00 56.30 57.01 2jps h ASN 9 Cb 0.54 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.44 2jps h ASN 9 CO 0.03 1.38 0.32 -0.07 -1.29 0.00 0.00 177.43 177.80 2jps h LEU 10 N 0.49 0.84 -2.07 1.61 3.38 0.88 -1.75 115.31 118.69 2jps h LEU 10 Ca -0.04 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jps h LEU 10 Cb 1.34 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2jps h LEU 10 CO 0.15 0.70 0.20 0.50 0.09 0.00 0.00 178.44 180.08 2jps h LYS 11 N 0.93 0.00 0.06 1.13 3.11 -0.77 0.48 116.57 121.51 2jps h LYS 11 Ca 0.23 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.93 2jps h LYS 11 Cb 0.08 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.33 2jps h LYS 11 CO -0.03 0.00 -0.58 0.28 -2.81 0.00 0.00 179.45 176.31 2jps h VAL 12 N 0.00 1.52 -0.25 2.00 2.07 -1.36 -2.29 116.25 117.93 2jps h VAL 12 Ca 0.12 -2.28 -0.10 0.00 0.82 0.00 0.00 66.70 65.26 2jps h VAL 12 Cb 0.52 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2jps h VAL 12 CO -0.00 0.64 -0.29 0.40 0.02 0.00 0.00 177.57 178.34 2jps h ILE 13 N -0.37 1.27 -0.46 4.57 2.04 -1.16 -2.51 117.51 120.89 2jps h ILE 13 Ca -0.09 -1.34 -0.13 0.00 1.00 0.00 0.00 64.86 64.29 2jps h ILE 13 Cb 1.37 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2jps h ILE 13 CO 0.11 0.42 -0.24 0.58 0.00 0.00 0.00 178.15 179.03 2jps h VAL 14 N 0.43 1.27 -0.28 1.67 2.07 -0.14 -2.92 116.25 118.35 2jps h VAL 14 Ca 0.06 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 2jps h VAL 14 Cb 0.72 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2jps h VAL 14 CO 0.06 0.48 -0.08 0.00 0.02 0.00 0.00 177.57 178.05 2jps h ALA 15 N 0.89 1.34 -0.88 1.67 0.00 -1.21 -2.31 119.26 118.76 2jps h ALA 15 Ca 0.10 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2jps h ALA 15 Cb 0.81 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2jps h ALA 15 CO 0.07 0.45 0.57 1.49 0.00 0.00 0.00 179.25 181.83 2jps h GLU 16 N 0.43 0.79 0.08 0.00 4.81 -1.25 0.84 114.58 120.28 2jps h GLU 16 Ca 0.09 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 2jps h GLU 16 Cb 0.41 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.62 2jps h GLU 16 CO 0.02 0.52 -0.69 -0.22 -0.73 0.00 0.00 179.01 177.91 2jps h LYS 17 N 0.81 0.17 -0.00 1.92 1.63 -1.53 -1.93 116.57 117.64 2jps h LYS 17 Ca 0.42 -0.29 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2jps h LYS 17 Cb 0.51 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 2jps h LYS 17 CO -0.18 1.14 0.00 -0.07 -3.45 0.00 0.00 179.45 176.89 2jps h LEU 18 N -0.61 0.00 -1.52 5.20 3.38 -1.11 0.35 115.31 121.00 2jps h LEU 18 Ca -0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2jps h LEU 18 Cb 1.43 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2jps h LEU 18 CO 0.06 0.15 -0.21 0.00 0.09 0.00 0.00 178.44 178.53 2jps h ALA 19 N 0.85 1.60 -0.14 1.53 0.00 0.55 -2.67 119.26 120.98 2jps h ALA 19 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2jps h ALA 19 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jps h ALA 19 CO -0.00 0.30 -0.69 0.78 0.00 0.00 0.00 179.25 179.64 2jps h GLY 20 N 0.70 0.66 -6.88 0.00 0.00 -0.87 -3.43 103.07 93.25 2jps h GLY 20 Ca 0.00 -0.88 -0.61 0.00 0.00 0.00 0.00 47.33 45.85 2jps h GLY 20 CO 0.03 0.78 1.45 1.39 0.00 0.00 0.00 176.54 180.19 2jps n ILE 21 N -3.91 0.32 0.34 2.60 5.41 0.07 -4.82 119.36 119.37 2jps n ILE 21 Ca -0.05 -0.38 0.15 0.00 1.00 0.00 0.00 62.75 63.47 2jps n ILE 21 Cb 0.69 -2.26 0.57 0.00 -0.71 0.00 0.00 39.64 37.93 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 13.95 0.00 -0.74 0.38 0.13 -1.87 -3.12 132.00 140.73 2jps h PRO 22 Ca -0.37 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.25 2jps h PRO 22 Cb 1.27 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.09 2jps h PRO 22 CO 0.98 0.00 -0.04 -1.71 -0.23 0.00 0.00 178.00 177.00 2jps n ASN 23 N -2.70 5.18 -4.84 1.44 2.85 -1.26 -5.01 115.26 110.92 2jps n ASN 23 Ca 0.02 -3.77 -0.37 0.00 -0.11 0.00 0.00 54.58 50.34 2jps n ASN 23 Cb 0.29 -0.64 -0.06 0.00 1.24 0.00 0.00 39.78 40.61 2jps n ASN 23 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2jps s PHE 24 N -3.58 3.66 0.00 1.20 5.36 -1.18 -4.97 117.98 118.47 2jps s PHE 24 Ca 0.54 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 2jps s PHE 24 Cb 0.44 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 2jps s PHE 24 CO 0.02 0.63 0.00 -1.71 -1.46 0.00 0.00 175.22 172.70 2jps n ASN 25 N 2.06 1.36 -0.73 6.13 2.85 -1.26 -5.06 115.26 120.61 2jps n ASN 25 Ca -0.16 -0.44 0.01 0.00 -0.11 0.00 0.00 54.58 53.88 2jps n ASN 25 Cb 0.53 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.55 2jps n ASN 25 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jps n GLU 26 N -0.14 -0.17 -2.48 1.20 1.02 -1.26 -4.63 120.64 114.18 2jps n GLU 26 Ca 0.00 0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.87 2jps n GLU 26 Cb 0.00 -0.20 -0.04 0.00 -0.02 0.00 0.00 31.44 31.18 2jps n GLU 26 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jps s ASP 27 N -4.11 6.92 -0.22 1.62 1.11 -1.26 -4.97 116.67 115.75 2jps s ASP 27 Ca 0.00 2.17 0.02 0.00 0.18 0.00 0.00 52.55 54.92 2jps s ASP 27 Cb 0.00 -2.61 -0.20 0.00 1.07 0.00 0.00 42.92 41.19 2jps s ASP 27 CO 0.00 -0.39 -0.05 0.00 1.18 0.00 0.00 175.17 175.92 2jps n ILE 28 N 0.43 1.54 0.03 0.77 0.00 -1.26 -3.43 119.36 117.44 2jps n ILE 28 Ca 0.03 -0.63 -0.17 0.00 0.00 0.00 0.00 62.75 61.98 2jps n ILE 28 Cb 0.47 -1.37 -0.07 0.00 0.00 0.00 0.00 39.64 38.67 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 0.02 0.65 -0.07 9.51 1.79 -1.98 -3.01 116.57 123.46 2jps h LYS 29 Ca -0.54 -0.64 -0.12 0.00 -2.18 0.00 0.00 60.65 57.18 2jps h LYS 29 Cb 1.97 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 32.77 2jps h LYS 29 CO -0.03 1.24 -0.50 -0.92 -1.08 0.00 0.00 179.45 178.15 2jps h TYR 30 N 0.39 0.23 0.00 -1.35 3.20 -1.99 -2.97 116.97 114.48 2jps h TYR 30 Ca -0.09 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 2jps h TYR 30 Cb 1.57 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 2jps h TYR 30 CO 0.09 0.65 -0.42 -0.24 -1.64 0.00 0.00 178.16 176.60 2jps h VAL 31 N 0.15 1.15 -0.26 1.81 3.04 -1.57 -2.96 116.25 117.61 2jps h VAL 31 Ca 0.00 -1.52 -0.14 0.00 -1.01 0.00 0.00 66.70 64.03 2jps h VAL 31 Cb 0.94 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.07 2jps h VAL 31 CO 0.07 0.41 -0.42 0.00 -1.01 0.00 0.00 177.57 176.63 2jps h ALA 32 N 1.58 0.78 -0.38 3.17 0.00 -1.38 -2.21 119.26 120.82 2jps h ALA 32 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2jps h ALA 32 Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2jps h ALA 32 CO 0.05 0.66 0.21 0.93 0.00 0.00 0.00 179.25 181.10 2jps h GLU 33 N 0.51 0.42 -0.72 0.00 5.08 -1.50 0.27 114.58 118.64 2jps h GLU 33 Ca 0.04 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jps h GLU 33 Cb 0.94 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2jps h GLU 33 CO 0.08 0.28 0.24 -0.92 -1.00 0.00 0.00 179.01 177.69 2jps h TYR 34 N 0.43 1.14 -0.09 4.33 3.20 -1.53 0.46 116.97 124.92 2jps h TYR 34 Ca 0.15 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jps h TYR 34 Cb 0.02 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.95 2jps h TYR 34 CO -0.08 0.90 0.05 0.82 -1.64 0.00 0.00 178.16 178.20 2jps h ILE 35 N 1.07 1.09 -0.74 1.81 2.04 -0.69 -0.18 117.51 121.91 2jps h ILE 35 Ca 0.24 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 2jps h ILE 35 Cb 0.28 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2jps h ILE 35 CO -0.01 0.08 0.22 0.58 0.00 0.00 0.00 178.15 179.02 2jps h VAL 36 N 0.05 1.26 -0.89 1.67 2.07 -0.17 -1.38 116.25 118.86 2jps h VAL 36 Ca 0.03 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.70 2jps h VAL 36 Cb 0.08 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2jps h VAL 36 CO -0.00 0.36 0.55 0.25 0.02 0.00 0.00 177.57 178.75 2jps h LEU 37 N 1.10 0.86 -0.74 2.57 5.85 0.41 0.57 115.31 125.92 2jps h LEU 37 Ca 0.24 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 2jps h LEU 37 Cb 0.32 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2jps h LEU 37 CO -0.01 0.54 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.43 2jps h LEU 38 N 0.99 0.82 0.03 2.25 3.38 -0.52 -1.92 115.31 120.35 2jps h LEU 38 Ca 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jps h LEU 38 Cb 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jps h LEU 38 CO -0.19 0.96 -0.02 0.40 0.09 0.00 0.00 178.44 179.69 2jps h ILE 39 N 0.74 1.17 0.00 1.22 1.08 0.15 -2.76 117.51 119.11 2jps h ILE 39 Ca 0.12 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 2jps h ILE 39 Cb 0.63 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 36.00 2jps h ILE 39 CO 0.04 0.17 -0.03 1.62 -0.69 0.00 0.00 178.15 179.26 2jps h VAL 40 N -0.34 0.56 -0.07 1.67 3.04 0.11 -2.37 116.25 118.86 2jps h VAL 40 Ca -0.00 -0.12 -0.20 0.00 -1.01 0.00 0.00 66.70 65.37 2jps h VAL 40 Cb 0.31 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2jps h VAL 40 CO 0.01 0.03 -0.78 0.78 -1.01 0.00 0.00 177.57 176.59 2jps h ASN 41 N 0.00 0.54 0.00 3.17 2.35 -1.07 -3.47 115.58 117.10 2jps h ASN 41 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2jps h ASN 41 Cb 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2jps h ASN 41 CO 0.00 1.13 0.00 0.61 -1.65 0.00 0.00 177.43 177.52 2jps n GLY 42 N 0.66 -1.17 0.00 2.83 0.00 -0.90 -5.07 105.19 101.54 2jps n GLY 42 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.38 0.61 3.16 -0.02 0.00 -1.16 -4.98 105.19 101.42 2jps n GLY 43 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.99 3.23 0.40 2.61 -4.23 -1.26 -4.98 115.64 110.41 2jps s THR 44 Ca 0.00 -1.66 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 2jps s THR 44 Cb 0.00 -3.02 0.38 0.00 1.34 0.00 0.00 72.50 71.20 2jps s THR 44 CO 0.00 -0.39 1.81 0.58 -0.54 0.00 0.00 174.62 176.08 2jps h VAL 45 N 6.38 0.61 0.31 2.29 2.07 -1.96 1.00 116.25 126.94 2jps h VAL 45 Ca -0.18 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2jps h VAL 45 Cb 1.06 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jps h VAL 45 CO 0.62 0.08 -0.15 -0.08 0.02 0.00 0.00 177.57 178.06 2jps h GLU 46 N 0.43 -0.40 -0.15 1.57 4.81 -1.98 0.44 114.58 119.31 2jps h GLU 46 Ca 0.54 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.70 2jps h GLU 46 Cb 1.32 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2jps h GLU 46 CO -0.25 -0.07 -0.34 0.77 -0.73 0.00 0.00 179.01 178.39 2jps h SER 47 N -0.80 0.31 0.02 1.04 0.02 -1.80 0.16 113.55 112.50 2jps h SER 47 Ca -0.04 -0.12 -0.19 0.00 -0.84 0.00 0.00 61.79 60.60 2jps h SER 47 Cb 0.51 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 2jps h SER 47 CO 0.07 0.64 -0.66 0.58 -1.14 0.00 0.00 176.83 176.31 2jps h VAL 48 N 0.27 1.32 -0.04 2.27 2.07 0.10 -0.76 116.25 121.49 2jps h VAL 48 Ca 0.03 -1.94 -0.24 0.00 0.82 0.00 0.00 66.70 65.37 2jps h VAL 48 Cb 0.73 1.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2jps h VAL 48 CO 0.06 0.60 -0.93 0.58 0.02 0.00 0.00 177.57 177.90 2jps h VAL 49 N 0.44 1.33 -0.32 2.57 2.07 0.07 -2.06 116.25 120.35 2jps h VAL 49 Ca -0.02 -2.25 -0.11 0.00 0.82 0.00 0.00 66.70 65.14 2jps h VAL 49 Cb 1.25 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 2jps h VAL 49 CO 0.13 0.69 -0.25 -0.78 0.02 0.00 0.00 177.57 177.38 2jps h ASP 50 N 0.36 0.64 -0.24 0.57 3.58 -0.95 0.26 116.42 120.64 2jps h ASP 50 Ca -0.09 -0.23 -0.15 0.00 0.42 0.00 0.00 57.03 56.98 2jps h ASP 50 Cb 1.57 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2jps h ASP 50 CO 0.18 0.87 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.65 2jps h GLU 51 N 0.55 0.71 -0.31 0.28 5.08 -1.13 -1.08 114.58 118.69 2jps h GLU 51 Ca 0.08 -0.45 -0.17 0.00 -1.00 0.00 0.00 59.36 57.83 2jps h GLU 51 Cb 0.72 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jps h GLU 51 CO 0.06 1.07 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.60 2jps h LEU 52 N 0.43 0.89 -0.85 1.33 3.38 -1.26 -3.01 115.31 116.23 2jps h LEU 52 Ca 0.01 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2jps h LEU 52 Cb 1.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2jps h LEU 52 CO 0.10 1.21 0.15 0.00 0.09 0.00 0.00 178.44 179.99 2jps h ALA 53 N 0.82 1.06 -0.72 1.53 0.00 -0.44 0.97 119.26 122.47 2jps h ALA 53 Ca 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2jps h ALA 53 Cb 1.04 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2jps h ALA 53 CO 0.10 0.62 0.48 0.77 0.00 0.00 0.00 179.25 181.22 2jps h SER 54 N 0.97 0.68 0.07 0.00 0.02 -1.06 -1.85 113.55 112.38 2jps h SER 54 Ca 0.20 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.79 2jps h SER 54 Cb 0.34 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2jps h SER 54 CO 0.00 0.45 -2.07 0.18 -1.14 0.00 0.00 176.83 174.25 2jps n LEU 55 N -4.48 2.61 -3.86 5.07 4.32 -0.95 -4.60 117.00 115.11 2jps n LEU 55 Ca 0.10 0.15 -0.35 0.00 -0.02 0.00 0.00 56.01 55.90 2jps n LEU 55 Cb 0.20 -1.04 -0.05 0.00 -1.62 0.00 0.00 43.42 40.92 2jps n LEU 55 CO 0.34 0.80 0.44 0.49 -1.22 0.00 0.00 177.39 178.24 2jps n PHE 56 N -3.57 3.55 -1.21 -1.77 3.72 0.33 -4.85 117.46 113.66 2jps n PHE 56 Ca -0.37 -3.78 -0.17 0.00 -0.05 0.00 0.00 57.45 53.08 2jps n PHE 56 Cb 0.99 -0.97 0.21 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.60 3.90 -0.06 4.37 -0.08 -0.71 -4.37 116.55 121.20 2jps n ASP 57 Ca 0.25 -3.53 -0.15 0.00 -1.51 0.00 0.00 54.79 49.85 2jps n ASP 57 Cb 0.37 -0.79 -0.14 0.00 2.34 0.00 0.00 41.12 42.90 2jps n ASP 57 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jps n SER 58 N -0.89 1.39 -4.91 1.67 7.64 -1.26 -4.94 113.62 112.32 2jps n SER 58 Ca 0.52 0.10 -0.28 0.00 1.01 0.00 0.00 58.87 60.22 2jps n SER 58 Cb 1.54 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 64.53 2jps n SER 58 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jps s VAL 59 N -2.54 5.02 0.39 0.44 0.11 -1.26 -5.03 120.40 117.53 2jps s VAL 59 Ca -0.20 0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.63 2jps s VAL 59 Cb 0.07 -3.75 -0.11 0.00 -1.53 0.00 0.00 36.38 31.06 2jps s VAL 59 CO 0.74 -0.38 1.04 -1.20 -3.33 0.00 0.00 175.10 171.97 2jps n SER 60 N -1.10 1.42 -0.19 3.54 7.64 -1.26 -4.83 113.62 118.83 2jps n SER 60 Ca -0.02 1.08 0.21 0.00 1.01 0.00 0.00 58.87 61.15 2jps n SER 60 Cb 0.54 -1.36 0.58 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.71 0.27 -0.82 1.43 3.08 -1.95 -0.51 114.38 117.58 2jps h ARG 61 Ca -0.44 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.68 2jps h ARG 61 Cb 1.33 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 2jps h ARG 61 CO 0.58 0.18 0.54 0.22 -1.07 0.00 0.00 179.97 180.41 2jps h ASP 62 N 0.27 0.75 -0.48 7.04 3.58 -1.99 0.12 116.42 125.72 2jps h ASP 62 Ca 0.43 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.80 2jps h ASP 62 Cb 1.24 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2jps h ASP 62 CO -0.11 0.47 -0.02 0.74 -2.88 0.00 0.00 179.24 177.43 2jps h THR 63 N 0.84 1.26 -0.26 2.25 2.02 -1.42 0.05 112.91 117.66 2jps h THR 63 Ca 0.37 -1.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 2jps h THR 63 Cb 0.33 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2jps h THR 63 CO -0.14 0.38 -0.20 -0.07 0.37 0.00 0.00 175.52 175.86 2jps h LEU 64 N 0.73 0.63 -1.29 2.58 4.07 -1.35 -2.94 115.31 117.73 2jps h LEU 64 Ca 0.13 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 2jps h LEU 64 Cb 0.54 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 2jps h LEU 64 CO 0.03 0.94 0.30 0.00 -1.08 0.00 0.00 178.44 178.63 2jps h ALA 65 N 0.70 1.46 -0.78 1.53 0.00 -0.69 -1.92 119.26 119.57 2jps h ALA 65 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jps h ALA 65 Cb 0.74 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2jps h ALA 65 CO 0.05 0.44 0.50 -0.91 0.00 0.00 0.00 179.25 179.34 2jps h ASN 66 N 0.79 0.91 -0.20 0.00 4.21 -0.81 0.66 115.58 121.14 2jps h ASN 66 Ca 0.20 -0.03 -0.17 0.00 1.21 0.00 0.00 56.30 57.51 2jps h ASN 66 Cb 0.04 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.01 2jps h ASN 66 CO -0.03 0.67 -0.50 0.58 -1.29 0.00 0.00 177.43 176.86 2jps h VAL 67 N 1.06 1.29 -0.23 2.81 2.07 -1.29 -2.40 116.25 119.56 2jps h VAL 67 Ca 0.28 -1.69 -0.15 0.00 0.82 0.00 0.00 66.70 65.96 2jps h VAL 67 Cb -0.10 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2jps h VAL 67 CO -0.06 0.55 -0.46 0.58 0.02 0.00 0.00 177.57 178.19 2jps h VAL 68 N 0.61 1.31 -0.71 2.57 2.07 -0.91 -2.61 116.25 118.58 2jps h VAL 68 Ca 0.03 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 2jps h VAL 68 Cb 1.07 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2jps h VAL 68 CO 0.11 0.52 0.37 -0.61 0.02 0.00 0.00 177.57 177.98 2jps h GLN 69 N 0.48 1.00 -0.01 1.57 4.15 0.45 -1.90 115.11 120.85 2jps h GLN 69 Ca 0.03 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 2jps h GLN 69 Cb 0.99 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2jps h GLN 69 CO 0.09 0.76 -0.43 0.00 -1.93 0.00 0.00 178.83 177.32 2jps h THR 70 N 0.98 1.31 -0.19 2.39 1.03 -1.34 -2.58 112.91 114.51 2jps h THR 70 Ca 0.25 -1.49 -0.13 0.00 -0.01 0.00 0.00 66.41 65.03 2jps h THR 70 Cb 0.07 1.79 -0.01 0.00 -1.07 0.00 0.00 68.15 68.93 2jps h THR 70 CO -0.04 0.43 -0.42 0.00 -0.01 0.00 0.00 175.52 175.48 2jps h ALA 71 N 1.55 0.92 0.11 0.00 0.00 -1.02 -0.51 119.26 120.31 2jps h ALA 71 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2jps h ALA 71 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jps h ALA 71 CO 0.06 0.64 -0.05 0.74 0.00 0.00 0.00 179.25 180.63 2jps h PHE 72 N 0.37 -0.14 -0.91 0.00 -1.00 -1.06 -1.97 116.94 112.23 2jps h PHE 72 Ca 0.03 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.83 2jps h PHE 72 Cb 0.90 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.46 2jps h PHE 72 CO 0.03 0.20 0.60 0.74 -1.61 0.00 0.00 178.31 178.27 2jps h PHE 73 N -0.50 1.12 -0.94 -0.55 0.04 -1.44 -1.91 116.94 112.77 2jps h PHE 73 Ca -0.02 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.81 2jps h PHE 73 Cb 0.40 -0.38 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 2jps h PHE 73 CO 0.04 0.69 0.62 0.00 -0.60 0.00 0.00 178.31 179.05 2jps h ALA 74 N 1.45 1.22 -0.82 2.45 0.00 -0.93 0.19 119.26 122.81 2jps h ALA 74 Ca 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2jps h ALA 74 Cb -0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.31 2jps h ALA 74 CO -0.09 0.53 0.54 -0.07 0.00 0.00 0.00 179.25 180.16 2jps h LEU 75 N 1.22 0.91 -0.22 0.00 3.38 -0.56 0.86 115.31 120.90 2jps h LEU 75 Ca 0.36 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 58.10 2jps h LEU 75 Cb -0.07 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.48 2jps h LEU 75 CO -0.10 0.64 -0.76 -0.33 0.09 0.00 0.00 178.44 177.98 2jps h GLU 76 N 1.07 0.72 -0.27 1.13 4.39 -1.21 -2.10 114.58 118.31 2jps h GLU 76 Ca 0.32 -0.58 -0.13 0.00 0.34 0.00 0.00 59.36 59.30 2jps h GLU 76 Cb -0.05 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2jps h GLU 76 CO -0.09 1.20 -0.38 0.00 -1.16 0.00 0.00 179.01 178.58 2jps h ALA 77 N 0.64 0.85 -0.31 3.43 0.00 -0.09 -2.50 119.26 121.28 2jps h ALA 77 Ca -0.05 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 2jps h ALA 77 Cb 1.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jps h ALA 77 CO 0.15 0.64 -0.43 1.25 0.00 0.00 0.00 179.25 180.87 2jps h LEU 78 N 0.51 0.83 -1.16 0.00 5.85 0.75 -1.73 115.31 120.36 2jps h LEU 78 Ca 0.05 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 2jps h LEU 78 Cb 0.88 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2jps h LEU 78 CO 0.08 1.14 -0.21 1.56 -0.34 0.00 0.00 178.44 180.67 2jps h GLN 79 N 0.63 0.32 0.14 1.25 4.20 -1.27 -3.09 115.11 117.29 2jps h GLN 79 Ca 0.04 -0.10 -0.30 0.00 0.06 0.00 0.00 58.65 58.35 2jps h GLN 79 Cb 0.99 -0.03 0.03 0.00 0.30 0.00 0.00 27.48 28.77 2jps h GLN 79 CO 0.09 0.53 -1.25 0.37 -0.67 0.00 0.00 178.83 177.90 2jps h GLN 80 N 0.30 0.61 0.00 1.46 4.15 -1.31 -3.48 115.11 116.83 2jps h GLN 80 Ca 0.05 -0.84 0.00 0.00 0.77 0.00 0.00 58.65 58.63 2jps h GLN 80 Cb 0.54 0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2jps h GLN 80 CO 0.04 1.38 0.00 0.41 -1.93 0.00 0.00 178.83 178.73 2jps n GLY 81 N 1.42 0.21 1.65 2.39 0.00 -0.67 -5.12 105.19 105.07 2jps n GLY 81 Ca -0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2jps n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jps n GLU 82 N 0.00 0.88 -4.41 1.61 1.02 -1.07 -4.96 120.64 113.71 2jps n GLU 82 Ca 0.00 -1.70 -0.19 0.00 -0.02 0.00 0.00 57.16 55.25 2jps n GLU 82 Cb 0.00 0.84 -0.15 0.00 -0.02 0.00 0.00 31.44 32.11 2jps n GLU 82 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jps s SER 83 N -2.24 1.16 -0.22 1.62 0.01 -1.26 -4.93 113.70 107.84 2jps s SER 83 Ca 0.08 -0.19 0.11 0.00 1.31 0.00 0.00 55.95 57.27 2jps s SER 83 Cb 0.00 -0.13 -0.22 0.00 0.21 0.00 0.00 66.02 65.89 2jps s SER 83 CO 0.06 0.11 -0.02 0.00 0.41 0.00 0.00 173.24 173.80 2jps n ALA 84 N 2.80 1.47 -0.30 1.44 0.00 -1.26 -4.43 120.51 120.23 2jps n ALA 84 Ca -0.14 -1.22 0.07 0.00 0.00 0.00 0.00 53.44 52.15 2jps n ALA 84 Cb 0.57 -0.18 0.28 0.00 0.00 0.00 0.00 19.45 20.12 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 0.89 -0.69 0.00 4.57 -1.96 -1.18 114.58 116.22 2jps h GLU 85 Ca -0.55 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2jps h GLU 85 Cb 2.11 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 30.45 2jps h GLU 85 CO -0.01 0.59 0.45 -2.95 -1.18 0.00 0.00 179.01 175.91 2jps h ASN 86 N 0.92 0.62 -0.28 1.04 -1.07 -2.02 -1.29 115.58 113.50 2jps h ASN 86 Ca 0.42 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.71 2jps h ASN 86 Cb 0.40 -0.13 -0.02 0.00 -2.07 0.00 0.00 38.32 36.50 2jps h ASN 86 CO -0.19 0.41 -0.12 0.40 0.07 0.00 0.00 177.43 178.00 2jps h ILE 87 N 0.71 1.25 -0.70 6.14 2.04 -1.44 -2.75 117.51 122.76 2jps h ILE 87 Ca 0.29 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2jps h ILE 87 Cb 0.25 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2jps h ILE 87 CO -0.09 0.38 0.45 0.58 0.00 0.00 0.00 178.15 179.47 2jps h VAL 88 N 0.64 1.18 -0.85 1.67 2.07 -1.17 -1.99 116.25 117.81 2jps h VAL 88 Ca 0.11 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.37 2jps h VAL 88 Cb 0.57 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 2jps h VAL 88 CO 0.04 0.18 0.49 -1.28 0.02 0.00 0.00 177.57 177.02 2jps h SER 89 N 0.95 0.71 -0.07 0.57 0.87 -1.35 0.67 113.55 115.91 2jps h SER 89 Ca 0.25 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.71 2jps h SER 89 Cb -0.09 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2jps h SER 89 CO -0.05 0.40 -0.46 0.11 -0.53 0.00 0.00 176.83 176.30 2jps h LYS 90 N 0.82 0.62 -0.31 2.24 1.57 -1.44 -2.88 116.57 117.19 2jps h LYS 90 Ca 0.41 -0.34 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2jps h LYS 90 Cb 0.37 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2jps h LYS 90 CO -0.25 0.95 -0.44 0.82 -0.57 0.00 0.00 179.45 179.96 2jps h ILE 91 N 0.49 1.29 -0.65 1.86 1.08 -0.52 -2.72 117.51 118.34 2jps h ILE 91 Ca 0.03 -1.62 0.01 0.00 -0.39 0.00 0.00 64.86 62.89 2jps h ILE 91 Cb 0.99 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 2jps h ILE 91 CO 0.09 0.53 0.43 -0.09 -0.69 0.00 0.00 178.15 178.42 2jps h ARG 92 N 0.63 0.83 -0.23 2.37 2.43 0.39 0.88 114.38 121.67 2jps h ARG 92 Ca 0.04 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2jps h ARG 92 Cb 1.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2jps h ARG 92 CO 0.10 0.55 -0.52 0.52 -1.51 0.00 0.00 179.97 179.11 2jps h MET 93 N 0.85 0.75 -0.08 0.20 2.86 -1.37 0.10 114.93 118.24 2jps h MET 93 Ca 0.24 -0.50 -0.22 0.00 -2.06 0.00 0.00 59.70 57.16 2jps h MET 93 Cb -0.05 0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.69 2jps h MET 93 CO -0.06 1.13 -0.84 1.98 1.06 0.00 0.00 176.91 180.18 2jps h MET 94 N 0.48 0.61 -0.15 1.72 1.85 -1.12 -2.84 114.93 115.48 2jps h MET 94 Ca -0.00 -0.55 -0.14 0.00 -0.61 0.00 0.00 59.70 58.40 2jps h MET 94 Cb 1.13 0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 2jps h MET 94 CO 0.11 1.17 -0.49 -0.91 -0.40 0.00 0.00 176.91 176.39 2jps h ASN 95 N 0.39 0.43 -0.52 1.39 2.35 0.76 -2.72 115.58 117.66 2jps h ASN 95 Ca -0.06 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.40 2jps h ASN 95 Cb 1.46 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.68 2jps h ASN 95 CO 0.16 0.85 0.04 0.00 -1.65 0.00 0.00 177.43 176.84 2jps h ALA 96 N 1.16 1.01 -0.47 -0.83 0.00 -0.76 -2.06 119.26 117.31 2jps h ALA 96 Ca 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2jps h ALA 96 Cb 0.98 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jps h ALA 96 CO 0.08 0.62 -0.07 0.37 0.00 0.00 0.00 179.25 180.25 2jps h GLN 97 N 0.87 0.87 -0.73 0.00 -0.00 -1.38 0.77 115.11 115.51 2jps h GLN 97 Ca 0.17 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.65 58.49 2jps h GLN 97 Cb 0.46 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 2jps h GLN 97 CO 0.02 0.95 0.37 0.77 0.00 0.00 0.00 178.83 180.93 2jps h SER 98 N 0.71 0.93 -0.56 -0.69 0.02 -1.27 -2.97 113.55 109.72 2jps h SER 98 Ca 0.12 -0.09 -0.39 0.00 -0.84 0.00 0.00 61.79 60.59 2jps h SER 98 Cb 0.60 -0.24 -0.27 0.00 0.14 0.00 0.00 62.40 62.63 2jps h SER 98 CO 0.04 0.77 -0.42 -0.11 -1.14 0.00 0.00 176.83 175.97 2jps n LEU 99 N -4.34 4.69 -3.15 5.07 7.94 -0.79 -4.82 117.00 121.60 2jps n LEU 99 Ca 0.07 -4.36 -0.38 0.00 -1.11 0.00 0.00 56.01 50.23 2jps n LEU 99 Cb 0.12 -0.51 0.01 0.00 0.53 0.00 0.00 43.42 43.57 2jps n LEU 99 CO 0.39 1.75 1.66 0.61 -1.11 0.00 0.00 177.39 180.68 2jps n GLY 100 N -0.89 5.44 3.10 -3.96 0.00 0.27 -4.87 105.19 104.28 2jps n GLY 100 Ca 0.40 -2.33 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2jps n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jps s GLN 101 N -3.26 2.44 -1.54 1.61 -0.21 -1.26 -4.75 119.66 112.69 2jps s GLN 101 Ca 0.50 -0.65 -0.14 0.00 0.02 0.00 0.00 55.36 55.09 2jps s GLN 101 Cb 0.31 -2.00 0.09 0.00 1.00 0.00 0.00 33.01 32.42 2jps s GLN 101 CO -0.24 -0.01 0.94 0.45 -2.12 0.00 0.00 175.29 174.31 2jps n SER 102 N 4.03 -4.74 -1.11 5.90 2.88 -1.26 -4.96 113.62 114.35 2jps n SER 102 Ca -0.20 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 2jps n SER 102 Cb 0.52 -3.79 0.00 0.00 -0.75 0.00 0.00 64.21 60.19 2jps n SER 102 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jps n ASP 103 N -2.78 1.95 -0.00 -3.46 -0.08 -1.26 -5.11 116.55 105.81 2jps n ASP 103 Ca 0.04 -0.56 -0.04 0.00 -1.51 0.00 0.00 54.79 52.72 2jps n ASP 103 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 2jps n ASP 103 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2jps n ILE 104 N 0.00 0.98 0.14 5.18 2.08 -1.26 -5.17 119.36 121.31 2jps n ILE 104 Ca 0.00 0.19 0.02 0.00 0.56 0.00 0.00 62.75 63.52 2jps n ILE 104 Cb 0.00 -1.71 0.01 0.00 -0.75 0.00 0.00 39.64 37.19 2jps n ILE 104 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11