#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpe n PHE 11 N 0.00 3.76 -1.83 2.61 7.35 -1.26 -5.00 117.46 123.09 1jpe n PHE 11 Ca 0.00 -3.07 -0.31 0.00 -0.76 0.00 0.00 57.45 53.31 1jpe n PHE 11 Cb 0.00 -1.89 0.02 0.00 0.35 0.00 0.00 39.48 37.96 1jpe n PHE 11 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1jpe s VAL 12 N 0.05 4.47 0.42 -2.13 -7.23 -1.26 -4.97 120.40 109.75 1jpe s VAL 12 Ca 0.38 0.80 -0.24 0.00 -1.81 0.00 0.00 61.98 61.11 1jpe s VAL 12 Cb 0.03 -3.76 -0.11 0.00 0.56 0.00 0.00 36.38 33.10 1jpe s VAL 12 CO 0.01 -1.05 0.99 -2.65 -0.31 0.00 0.00 175.10 172.09 1jpe n PRO 13 N -2.83 1.31 -0.27 4.82 -0.02 -1.26 -4.77 135.00 131.98 1jpe n PRO 13 Ca 0.06 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1jpe n PRO 13 Cb 0.54 -2.02 0.39 0.00 -0.02 0.00 0.00 33.50 32.39 1jpe n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jpe h ALA 14 N 1.50 1.87 0.00 3.55 0.00 -1.95 -0.13 119.26 124.09 1jpe h ALA 14 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jpe h ALA 14 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jpe h ALA 14 CO 0.57 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.44 1jpe n ASP 15 N -4.57 0.00 -0.04 0.00 8.00 -1.26 -1.01 116.55 117.67 1jpe n ASP 15 Ca 0.18 0.35 -0.14 0.00 0.71 0.00 0.00 54.79 55.90 1jpe n ASP 15 Cb 0.51 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 1jpe n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jpe n GLN 16 N -1.44 0.68 0.08 -1.24 6.02 -0.09 -3.63 117.38 117.76 1jpe n GLN 16 Ca 0.06 0.23 -0.11 0.00 -0.01 0.00 0.00 57.00 57.17 1jpe n GLN 16 Cb 0.22 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.74 1jpe n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jpe h ALA 17 N 0.62 0.40 -3.04 -1.58 0.00 -1.15 -3.41 119.26 111.11 1jpe h ALA 17 Ca -0.40 -0.74 -0.60 0.00 0.00 0.00 0.00 54.91 53.17 1jpe h ALA 17 Cb 2.05 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.39 1jpe h ALA 17 CO 0.06 0.90 -0.75 -0.06 0.00 0.00 0.00 179.25 179.39 1jpe s PHE 18 N -3.14 1.82 -0.53 0.00 0.08 -0.18 -1.38 117.98 114.65 1jpe s PHE 18 Ca -0.04 -2.12 -0.25 0.00 0.12 0.00 0.00 56.93 54.64 1jpe s PHE 18 Cb 0.09 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 1jpe s PHE 18 CO 0.85 -0.83 0.96 0.00 -0.10 0.00 0.00 175.22 176.10 1jpe s ALA 19 N 0.89 3.16 -0.10 5.36 0.00 -0.20 -4.38 121.76 126.49 1jpe s ALA 19 Ca 0.15 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1jpe s ALA 19 Cb -0.22 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 1jpe s ALA 19 CO -0.09 -2.34 0.26 0.12 0.00 0.00 0.00 175.76 173.71 1jpe s PHE 20 N 4.00 3.59 0.19 0.00 5.36 -1.26 -0.22 117.98 129.64 1jpe s PHE 20 Ca 0.33 0.67 -0.16 0.00 -0.96 0.00 0.00 56.93 56.81 1jpe s PHE 20 Cb -0.11 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1jpe s PHE 20 CO 0.21 0.55 0.47 0.34 -1.46 0.00 0.00 175.22 175.33 1jpe s ASP 21 N -0.56 -0.19 0.06 6.13 2.15 -0.40 -5.01 116.67 118.84 1jpe s ASP 21 Ca 0.17 -0.56 -0.03 0.00 0.43 0.00 0.00 52.55 52.56 1jpe s ASP 21 Cb -0.14 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.00 1jpe s ASP 21 CO 0.06 -1.01 0.04 0.72 -0.17 0.00 0.00 175.17 174.81 1jpe s PHE 22 N -3.89 0.41 -0.14 -5.34 -0.71 -1.26 -1.22 117.98 105.83 1jpe s PHE 22 Ca 0.11 -0.92 -0.07 0.00 -1.04 0.00 0.00 56.93 55.01 1jpe s PHE 22 Cb 0.00 -0.29 0.06 0.00 -1.21 0.00 0.00 43.02 41.58 1jpe s PHE 22 CO -0.03 -0.43 0.32 -1.14 -1.34 0.00 0.00 175.22 172.61 1jpe s GLN 23 N -3.87 0.27 -0.03 1.99 0.74 -0.89 -5.01 119.66 112.87 1jpe s GLN 23 Ca 0.06 0.69 0.06 0.00 0.05 0.00 0.00 55.36 56.22 1jpe s GLN 23 Cb 0.07 -0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.12 1jpe s GLN 23 CO -0.10 -0.18 -0.21 -1.14 -0.55 0.00 0.00 175.29 173.10 1jpe s GLN 24 N 1.57 1.89 -0.42 1.67 0.74 -1.26 -1.27 119.66 122.57 1jpe s GLN 24 Ca -0.07 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.58 1jpe s GLN 24 Cb -0.10 -1.75 0.14 0.00 1.10 0.00 0.00 33.01 32.40 1jpe s GLN 24 CO -0.10 0.41 0.25 1.21 -0.55 0.00 0.00 175.29 176.51 1jpe s ASN 25 N -0.36 3.29 1.96 6.67 3.84 0.38 -5.01 114.94 125.71 1jpe s ASN 25 Ca 0.04 -2.56 0.00 0.00 0.21 0.00 0.00 52.86 50.56 1jpe s ASN 25 Cb -0.10 -0.80 0.00 0.00 -0.55 0.00 0.00 41.25 39.81 1jpe s ASN 25 CO 0.00 -0.27 0.00 0.00 -2.79 0.00 0.00 177.10 174.05 1jpe n GLN 26 N 3.60 0.00 0.23 0.43 6.02 -1.26 -1.99 117.38 124.42 1jpe n GLN 26 Ca 0.12 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.26 1jpe n GLN 26 Cb 0.36 0.00 0.64 0.00 1.02 0.00 0.00 30.24 32.26 1jpe n GLN 26 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jpe h HIS 27 N 0.00 0.00 -3.58 1.08 3.86 -1.96 -3.44 115.15 111.11 1jpe h HIS 27 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 1jpe h HIS 27 Cb 0.00 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.33 1jpe h HIS 27 CO 0.00 0.00 -0.38 -0.51 0.86 0.00 0.00 177.93 177.90 1jpe s ASP 28 N -5.19 6.22 -0.05 2.45 1.01 -0.84 0.05 116.67 120.33 1jpe s ASP 28 Ca 0.02 0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.58 1jpe s ASP 28 Cb 0.09 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1jpe s ASP 28 CO 0.49 -0.01 -0.19 -0.22 0.21 0.00 0.00 175.17 175.44 1jpe s LEU 29 N 1.28 1.96 -0.10 1.23 2.96 0.08 -0.47 118.68 125.62 1jpe s LEU 29 Ca 0.12 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1jpe s LEU 29 Cb -0.14 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.48 1jpe s LEU 29 CO 0.07 0.18 -0.18 0.21 -1.32 0.00 0.00 176.35 175.30 1jpe s ASN 30 N -0.05 2.62 -0.14 3.68 3.84 -0.40 0.93 114.94 125.43 1jpe s ASN 30 Ca -0.03 -0.47 -0.03 0.00 0.21 0.00 0.00 52.86 52.53 1jpe s ASN 30 Cb -0.12 -1.20 -0.03 0.00 -0.55 0.00 0.00 41.25 39.36 1jpe s ASN 30 CO 0.02 0.07 -0.03 -0.76 -2.79 0.00 0.00 177.10 173.62 1jpe s LEU 31 N 0.71 3.32 0.03 3.21 1.43 0.20 -2.08 118.68 125.50 1jpe s LEU 31 Ca -0.12 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1jpe s LEU 31 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1jpe s LEU 31 CO 0.02 0.21 -0.13 -0.89 0.23 0.00 0.00 176.35 175.80 1jpe s THR 32 N 0.13 0.99 -0.09 5.49 2.01 -0.36 -0.39 115.64 123.42 1jpe s THR 32 Ca -0.00 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 1jpe s THR 32 Cb -0.13 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1jpe s THR 32 CO 0.03 -0.02 -0.05 0.26 -0.69 0.00 0.00 174.62 174.14 1jpe s TRP 33 N -0.84 1.17 -0.31 4.92 0.51 -0.58 -1.27 118.94 122.53 1jpe s TRP 33 Ca 0.00 -0.50 -0.18 0.00 -2.12 0.00 0.00 56.10 53.30 1jpe s TRP 33 Cb -0.08 -1.04 -0.01 0.00 -0.81 0.00 0.00 33.47 31.53 1jpe s TRP 33 CO 0.01 -0.42 0.52 -0.65 -0.51 0.00 0.00 176.95 175.91 1jpe s GLN 34 N 1.67 3.84 -0.38 4.98 -0.21 0.69 -1.63 119.66 128.63 1jpe s GLN 34 Ca 0.03 0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.37 1jpe s GLN 34 Cb -0.13 -3.73 0.02 0.00 1.00 0.00 0.00 33.01 30.17 1jpe s GLN 34 CO -0.06 -0.51 0.24 0.42 -2.12 0.00 0.00 175.29 173.25 1jpe s ILE 35 N 2.39 4.84 0.44 1.08 1.01 -0.51 -1.04 121.20 129.40 1jpe s ILE 35 Ca 0.20 -0.73 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 1jpe s ILE 35 Cb -0.15 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 1jpe s ILE 35 CO 0.12 -0.23 0.96 1.17 0.00 0.00 0.00 174.94 176.96 1jpe n LYS 36 N 5.05 1.23 -1.80 2.79 4.81 -0.48 -3.58 118.16 126.19 1jpe n LYS 36 Ca -0.12 0.44 -0.41 0.00 -0.87 0.00 0.00 58.31 57.35 1jpe n LYS 36 Cb 0.47 -2.00 -0.01 0.00 0.02 0.00 0.00 35.03 33.50 1jpe n LYS 36 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jpe s ASP 37 N -0.81 6.38 0.00 3.14 2.15 -1.26 -2.12 116.67 124.15 1jpe s ASP 37 Ca 0.64 2.95 0.00 0.00 0.43 0.00 0.00 52.55 56.57 1jpe s ASP 37 Cb -0.55 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.43 1jpe s ASP 37 CO 0.56 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1jpe n GLY 38 N 1.92 0.82 3.14 2.66 0.00 -1.26 -5.05 105.19 107.41 1jpe n GLY 38 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1jpe n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jpe s TYR 39 N -2.00 0.74 0.10 1.61 1.51 -0.90 -0.99 117.35 117.42 1jpe s TYR 39 Ca 0.00 -0.95 -0.17 0.00 -1.01 0.00 0.00 57.07 54.94 1jpe s TYR 39 Cb 0.00 -0.46 0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1jpe s TYR 39 CO 0.00 -0.23 0.41 1.52 -1.11 0.00 0.00 175.55 176.14 1jpe s TYR 40 N -3.64 -0.23 0.01 2.71 -0.85 -0.49 -4.62 117.35 110.23 1jpe s TYR 40 Ca 0.09 0.02 0.02 0.00 -0.52 0.00 0.00 57.07 56.69 1jpe s TYR 40 Cb 0.06 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 1jpe s TYR 40 CO -0.06 -0.66 0.01 -0.51 -1.52 0.00 0.00 175.55 172.80 1jpe s LEU 41 N -2.51 3.52 -0.22 -3.49 1.43 -0.45 -0.80 118.68 116.17 1jpe s LEU 41 Ca -0.00 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1jpe s LEU 41 Cb 0.01 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1jpe s LEU 41 CO -0.08 0.26 0.72 -0.31 0.23 0.00 0.00 176.35 177.16 1jpe s TYR 42 N -1.13 3.34 0.16 0.29 2.02 -0.62 -0.86 117.35 120.56 1jpe s TYR 42 Ca 0.21 1.01 -0.15 0.00 -0.37 0.00 0.00 57.07 57.76 1jpe s TYR 42 Cb -0.12 -2.91 0.10 0.00 -0.40 0.00 0.00 41.96 38.63 1jpe s TYR 42 CO 0.12 -0.29 1.73 -0.09 -1.57 0.00 0.00 175.55 175.45 1jpe h ARG 43 N 7.62 0.20 0.00 -0.62 2.43 -1.55 -2.10 114.38 120.36 1jpe h ARG 43 Ca -0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1jpe h ARG 43 Cb 1.12 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1jpe h ARG 43 CO 0.81 0.13 0.00 1.63 -1.51 0.00 0.00 179.97 181.03 1jpe n LYS 44 N -5.09 0.08 -0.07 0.20 4.76 -1.26 -2.42 118.16 114.34 1jpe n LYS 44 Ca 0.02 0.43 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 1jpe n LYS 44 Cb 0.18 -1.68 0.33 0.00 -1.84 0.00 0.00 35.03 32.01 1jpe n LYS 44 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1jpe n GLN 45 N -1.84 1.99 -3.04 1.97 1.13 -0.79 -4.89 117.38 111.92 1jpe n GLN 45 Ca 0.01 -1.48 -0.40 0.00 -1.94 0.00 0.00 57.00 53.19 1jpe n GLN 45 Cb 0.12 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 1jpe n GLN 45 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jpe s ILE 46 N -1.80 5.02 -0.04 5.09 1.01 -1.02 -3.86 121.20 125.59 1jpe s ILE 46 Ca 0.34 1.40 0.02 0.00 0.00 0.00 0.00 60.65 62.41 1jpe s ILE 46 Cb 0.20 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1jpe s ILE 46 CO 0.30 0.18 -0.07 -0.60 0.00 0.00 0.00 174.94 174.74 1jpe s ARG 47 N 1.30 1.03 -0.17 2.79 3.52 0.37 -4.99 118.95 122.81 1jpe s ARG 47 Ca 0.35 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 1jpe s ARG 47 Cb -0.17 -0.95 0.03 0.00 -1.56 0.00 0.00 34.95 32.30 1jpe s ARG 47 CO 0.15 -0.00 -0.12 0.42 -0.81 0.00 0.00 175.30 174.93 1jpe s ILE 48 N 0.65 1.55 -0.15 4.11 1.01 -1.26 -0.49 121.20 126.62 1jpe s ILE 48 Ca -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1jpe s ILE 48 Cb -0.13 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.84 1jpe s ILE 48 CO 0.01 0.34 -0.12 -0.89 0.00 0.00 0.00 174.94 174.28 1jpe s THR 49 N 1.47 1.46 0.38 2.92 2.01 -0.19 -4.97 115.64 118.72 1jpe s THR 49 Ca 0.03 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 1jpe s THR 49 Cb -0.14 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 1jpe s THR 49 CO -0.10 0.37 0.82 -2.16 -0.69 0.00 0.00 174.62 172.86 1jpe s PRO 50 N 1.52 4.03 -0.15 4.92 0.04 -1.26 -0.27 135.00 143.82 1jpe s PRO 50 Ca 0.04 0.78 -0.00 0.00 0.04 0.00 0.00 61.00 61.85 1jpe s PRO 50 Cb -0.14 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.10 1jpe s PRO 50 CO -0.10 0.05 -0.07 -1.21 0.04 0.00 0.00 177.00 175.72 1jpe s GLU 51 N -3.24 1.54 -1.17 4.56 8.01 0.50 -4.73 118.70 124.16 1jpe s GLU 51 Ca 0.56 -0.48 -0.03 0.00 0.01 0.00 0.00 54.97 55.03 1jpe s GLU 51 Cb -0.10 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 1jpe s GLU 51 CO 0.19 -0.38 0.46 0.72 0.01 0.00 0.00 175.26 176.26 1jpe n HIS 52 N 4.87 -1.48 -3.56 1.61 8.25 -1.26 -1.77 115.22 121.89 1jpe n HIS 52 Ca -0.12 0.39 -0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1jpe n HIS 52 Cb 0.48 -3.65 -0.04 0.00 1.12 0.00 0.00 29.99 27.91 1jpe n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jpe s ALA 53 N -3.02 -1.18 -0.10 -1.41 0.00 -1.26 -1.87 121.76 112.92 1jpe s ALA 53 Ca 0.23 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1jpe s ALA 53 Cb -0.10 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1jpe s ALA 53 CO 0.28 -0.68 -0.15 0.15 0.00 0.00 0.00 175.76 175.36 1jpe s LYS 54 N -3.72 2.16 0.16 0.00 1.02 0.53 -4.83 119.74 115.06 1jpe s LYS 54 Ca 0.02 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 55.55 1jpe s LYS 54 Cb 0.01 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 1jpe s LYS 54 CO -0.12 -0.04 -0.19 0.96 -0.92 0.00 0.00 175.35 175.04 1jpe s ILE 55 N 0.93 1.86 0.86 2.17 -4.36 -1.26 -0.71 121.20 120.68 1jpe s ILE 55 Ca -0.08 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 1jpe s ILE 55 Cb -0.15 -1.85 0.11 0.00 1.25 0.00 0.00 42.46 41.81 1jpe s ILE 55 CO -0.00 -0.29 1.09 0.00 0.24 0.00 0.00 174.94 175.98 1jpe s ALA 56 N -1.97 1.76 0.34 2.27 0.00 -0.20 -4.90 121.76 119.05 1jpe s ALA 56 Ca 0.16 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1jpe s ALA 56 Cb -0.06 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1jpe s ALA 56 CO 0.07 -2.21 1.36 -0.25 0.00 0.00 0.00 175.76 174.73 1jpe n ASP 57 N -3.81 3.05 -4.65 0.00 8.00 -1.26 -4.71 116.55 113.17 1jpe n ASP 57 Ca 0.08 1.20 -0.37 0.00 0.71 0.00 0.00 54.79 56.41 1jpe n ASP 57 Cb 0.54 -1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.03 1jpe n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jpe s VAL 58 N -0.96 5.30 -0.36 2.53 1.01 -1.26 -4.92 120.40 121.75 1jpe s VAL 58 Ca 0.56 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.74 1jpe s VAL 58 Cb -0.55 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1jpe s VAL 58 CO 0.61 0.30 0.24 -1.58 0.00 0.00 0.00 175.10 174.67 1jpe s GLN 59 N 1.28 3.29 0.16 2.72 2.00 -1.26 -5.06 119.66 122.80 1jpe s GLN 59 Ca 0.11 -0.78 -0.30 0.00 -2.00 0.00 0.00 55.36 52.39 1jpe s GLN 59 Cb -0.14 -3.81 -0.07 0.00 0.80 0.00 0.00 33.01 29.79 1jpe s GLN 59 CO 0.06 -0.53 1.10 -0.51 -0.50 0.00 0.00 175.29 174.91 1jpe s LEU 60 N 1.68 4.48 0.93 3.68 1.43 -1.26 -4.96 118.68 124.66 1jpe s LEU 60 Ca 0.05 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1jpe s LEU 60 Cb -0.18 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.59 1jpe s LEU 60 CO 0.09 -0.24 1.09 -2.16 0.23 0.00 0.00 176.35 175.37 1jpe s PRO 61 N -0.23 0.97 -0.13 1.29 0.04 -1.26 -4.96 135.00 130.71 1jpe s PRO 61 Ca 0.50 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 1jpe s PRO 61 Cb -0.29 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1jpe s PRO 61 CO 0.34 -2.47 1.16 -1.14 0.04 0.00 0.00 177.00 174.93 1jpe s GLN 62 N -4.83 4.30 0.00 4.56 -0.44 -1.26 -5.02 119.66 116.97 1jpe s GLN 62 Ca 0.64 1.57 0.00 0.00 -2.50 0.00 0.00 55.36 55.07 1jpe s GLN 62 Cb -0.20 -3.64 0.00 0.00 -1.64 0.00 0.00 33.01 27.53 1jpe s GLN 62 CO 0.58 -0.55 0.00 0.41 0.50 0.00 0.00 175.29 176.23 1jpe n GLY 63 N 3.40 3.09 3.69 2.59 0.00 -1.26 -5.09 105.19 111.60 1jpe n GLY 63 Ca 0.12 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 1jpe n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jpe s VAL 64 N 1.78 3.81 0.03 1.61 -7.23 -0.25 -4.86 120.40 115.30 1jpe s VAL 64 Ca 0.00 -1.48 -0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1jpe s VAL 64 Cb 0.00 -2.95 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 1jpe s VAL 64 CO 0.00 -0.18 0.54 0.26 -0.31 0.00 0.00 175.10 175.41 1jpe s TRP 65 N -1.88 3.75 0.07 2.82 0.52 -1.26 0.22 118.94 123.17 1jpe s TRP 65 Ca 0.29 1.19 -0.02 0.00 0.02 0.00 0.00 56.10 57.58 1jpe s TRP 65 Cb -0.09 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.71 1jpe s TRP 65 CO 0.20 0.53 0.01 -1.58 0.02 0.00 0.00 176.95 176.13 1jpe s HIS 66 N -0.83 0.52 -0.08 -1.98 2.46 0.17 -4.92 115.29 110.63 1jpe s HIS 66 Ca 0.28 -1.03 0.01 0.00 0.47 0.00 0.00 55.06 54.79 1jpe s HIS 66 Cb -0.19 -0.36 0.02 0.00 -0.13 0.00 0.00 32.58 31.92 1jpe s HIS 66 CO 0.17 -0.42 -0.09 -2.00 -2.47 0.00 0.00 174.74 169.93 1jpe s GLU 67 N -3.93 1.48 0.18 2.88 2.12 -1.26 -0.69 118.70 119.48 1jpe s GLU 67 Ca 0.09 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 1jpe s GLU 67 Cb 0.08 -1.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.07 1jpe s GLU 67 CO -0.09 -0.09 0.16 0.16 -0.54 0.00 0.00 175.26 174.86 1jpe s ASP 68 N 1.07 0.16 0.52 -1.70 1.47 -0.66 -4.99 116.67 112.55 1jpe s ASP 68 Ca -0.07 -1.24 0.31 0.00 1.18 0.00 0.00 52.55 52.73 1jpe s ASP 68 Cb -0.14 0.38 1.22 0.00 -0.34 0.00 0.00 42.92 44.04 1jpe s ASP 68 CO -0.01 -0.84 1.93 -0.33 0.68 0.00 0.00 175.17 176.61 1jpe h GLU 69 N 2.65 0.00 0.55 2.11 3.07 -2.01 0.17 114.58 121.12 1jpe h GLU 69 Ca -0.34 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 1jpe h GLU 69 Cb 1.23 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1jpe h GLU 69 CO 0.53 0.06 -0.26 0.74 -1.40 0.00 0.00 179.01 178.67 1jpe h PHE 70 N 0.00 -0.69 0.00 4.33 -1.00 -2.04 -3.39 116.94 114.16 1jpe h PHE 70 Ca -0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1jpe h PHE 70 Cb 0.58 0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.37 1jpe h PHE 70 CO 0.00 -0.40 -0.04 0.66 -1.61 0.00 0.00 178.31 176.92 1jpe n TYR 71 N -5.27 0.00 0.00 -0.55 4.02 -1.25 -5.10 117.16 109.01 1jpe n TYR 71 Ca -0.10 -0.55 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 1jpe n TYR 71 Cb 0.31 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1jpe n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jpe n GLY 72 N -0.69 2.80 3.63 2.72 0.00 0.59 -4.56 105.19 109.69 1jpe n GLY 72 Ca 0.05 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1jpe n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jpe s LYS 73 N 0.00 4.03 0.05 1.61 2.20 -1.26 -1.65 119.74 124.72 1jpe s LYS 73 Ca 0.00 0.99 -0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1jpe s LYS 73 Cb 0.00 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1jpe s LYS 73 CO 0.00 -0.91 -0.03 -1.12 -0.36 0.00 0.00 175.35 172.93 1jpe s SER 74 N 1.70 0.49 -0.19 1.43 0.01 0.13 -4.97 113.70 112.30 1jpe s SER 74 Ca 0.44 -0.84 -0.21 0.00 1.31 0.00 0.00 55.95 56.65 1jpe s SER 74 Cb -0.12 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1jpe s SER 74 CO 0.16 -0.49 0.63 -0.70 0.41 0.00 0.00 173.24 173.25 1jpe s GLU 75 N -3.14 4.23 0.34 12.44 2.12 -1.26 -0.65 118.70 132.77 1jpe s GLU 75 Ca 0.00 0.63 0.05 0.00 0.36 0.00 0.00 54.97 56.02 1jpe s GLU 75 Cb 0.02 -3.57 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1jpe s GLU 75 CO -0.07 -0.21 0.01 0.96 -0.54 0.00 0.00 175.26 175.41 1jpe s ILE 76 N 1.82 1.54 -0.06 -3.70 -4.36 0.13 -1.34 121.20 115.24 1jpe s ILE 76 Ca 0.29 -2.04 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 1jpe s ILE 76 Cb -0.16 -2.75 -0.00 0.00 1.25 0.00 0.00 42.46 40.79 1jpe s ILE 76 CO 0.11 -0.08 -0.19 -0.31 0.24 0.00 0.00 174.94 174.70 1jpe s TYR 77 N -3.06 1.99 0.29 1.37 2.02 -0.04 -1.08 117.35 118.85 1jpe s TYR 77 Ca 0.34 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 1jpe s TYR 77 Cb 0.08 -1.34 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 1jpe s TYR 77 CO 0.15 -0.24 -0.03 1.03 -1.57 0.00 0.00 175.55 174.89 1jpe s ARG 78 N 0.15 1.58 0.00 -0.62 0.52 -1.26 -1.34 118.95 117.97 1jpe s ARG 78 Ca -0.08 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.31 1jpe s ARG 78 Cb -0.14 -1.08 0.00 0.00 0.52 0.00 0.00 34.95 34.25 1jpe s ARG 78 CO 0.04 -0.02 0.00 -0.25 0.02 0.00 0.00 175.30 175.09 1jpe n ASP 79 N -0.61 0.00 -3.59 0.23 8.00 -1.23 -4.68 116.55 114.66 1jpe n ASP 79 Ca -0.05 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.35 1jpe n ASP 79 Cb 0.64 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 1jpe n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1jpe s ARG 80 N 0.00 0.59 -0.11 -1.24 3.52 -1.26 -1.42 118.95 119.03 1jpe s ARG 80 Ca 0.00 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1jpe s ARG 80 Cb 0.00 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1jpe s ARG 80 CO 0.00 -0.16 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.01 1jpe s LEU 81 N -0.83 1.72 -0.14 -0.88 2.96 -0.65 -4.95 118.68 115.91 1jpe s LEU 81 Ca -0.01 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1jpe s LEU 81 Cb -0.01 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.58 1jpe s LEU 81 CO 0.00 0.01 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.99 1jpe s THR 82 N 1.01 2.61 -0.24 3.68 2.01 -1.26 -1.53 115.64 121.91 1jpe s THR 82 Ca -0.06 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1jpe s THR 82 Cb -0.15 -2.08 0.08 0.00 0.01 0.00 0.00 72.50 70.36 1jpe s THR 82 CO -0.02 0.52 0.07 -0.22 -0.69 0.00 0.00 174.62 174.29 1jpe s LEU 83 N 0.68 1.30 0.30 4.42 2.96 0.47 -4.87 118.68 123.94 1jpe s LEU 83 Ca -0.08 -1.11 -0.27 0.00 -0.22 0.00 0.00 54.13 52.45 1jpe s LEU 83 Cb -0.16 -0.60 -0.10 0.00 0.50 0.00 0.00 46.19 45.84 1jpe s LEU 83 CO 0.02 -0.36 0.96 -2.16 -1.32 0.00 0.00 176.35 173.49 1jpe s PRO 84 N 1.85 4.64 -0.03 0.98 0.04 -1.26 -0.63 135.00 140.60 1jpe s PRO 84 Ca 0.04 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1jpe s PRO 84 Cb -0.17 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1jpe s PRO 84 CO -0.18 0.32 -0.08 0.08 0.04 0.00 0.00 177.00 177.18 1jpe s VAL 85 N -1.47 0.71 -0.29 -0.36 1.01 0.27 -4.84 120.40 115.42 1jpe s VAL 85 Ca 0.48 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 1jpe s VAL 85 Cb -0.22 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1jpe s VAL 85 CO 0.27 0.23 0.17 -0.89 0.00 0.00 0.00 175.10 174.88 1jpe s THR 86 N 0.24 4.95 -0.48 3.92 2.01 -1.26 -0.74 115.64 124.28 1jpe s THR 86 Ca -0.03 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 1jpe s THR 86 Cb -0.08 -3.43 0.05 0.00 0.01 0.00 0.00 72.50 69.05 1jpe s THR 86 CO 0.00 0.17 0.59 -0.63 -0.69 0.00 0.00 174.62 174.07 1jpe s ILE 87 N 1.69 4.91 0.11 1.82 1.01 0.11 -1.03 121.20 129.81 1jpe s ILE 87 Ca 0.06 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1jpe s ILE 87 Cb -0.16 -4.24 -0.20 0.00 0.01 0.00 0.00 42.46 37.86 1jpe s ILE 87 CO 0.08 -0.71 1.27 0.78 0.00 0.00 0.00 174.94 176.36 1jpe h ASN 88 N 8.93 0.00 -4.42 3.58 2.35 -1.20 -3.41 115.58 121.41 1jpe h ASN 88 Ca -0.27 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1jpe h ASN 88 Cb 1.10 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.27 1jpe h ASN 88 CO 0.93 0.99 0.17 -1.58 -1.65 0.00 0.00 177.43 176.28 1jpe s GLN 89 N -2.71 0.93 -0.25 0.81 -0.44 -0.98 -3.54 119.66 113.47 1jpe s GLN 89 Ca 0.01 0.66 -0.08 0.00 -2.50 0.00 0.00 55.36 53.45 1jpe s GLN 89 Cb 0.10 0.44 0.11 0.00 -1.64 0.00 0.00 33.01 32.02 1jpe s GLN 89 CO 0.82 -0.20 0.53 0.00 0.50 0.00 0.00 175.29 176.94 1jpe s ALA 90 N -0.32 -1.60 0.88 1.58 0.00 -0.23 -0.34 121.76 121.72 1jpe s ALA 90 Ca -0.05 1.93 -0.13 0.00 0.00 0.00 0.00 51.96 53.71 1jpe s ALA 90 Cb -0.03 -1.55 0.13 0.00 0.00 0.00 0.00 23.12 21.67 1jpe s ALA 90 CO 0.05 -0.84 1.22 -1.54 0.00 0.00 0.00 175.76 174.64 1jpe s SER 91 N 2.76 3.87 0.08 0.00 1.04 -0.78 -0.63 113.70 120.04 1jpe s SER 91 Ca -0.04 0.63 -0.31 0.00 0.48 0.00 0.00 55.95 56.71 1jpe s SER 91 Cb -0.12 -0.98 -0.08 0.00 0.10 0.00 0.00 66.02 64.94 1jpe s SER 91 CO -0.16 -2.29 1.55 0.00 0.98 0.00 0.00 173.24 173.31 1jpe s ALA 92 N -3.64 3.67 0.00 5.32 0.00 -1.26 -2.10 121.76 123.75 1jpe s ALA 92 Ca 0.66 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1jpe s ALA 92 Cb -0.09 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1jpe s ALA 92 CO 0.51 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1jpe n GLY 93 N 3.80 0.75 3.72 0.00 0.00 -1.26 -5.05 105.19 107.15 1jpe n GLY 93 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1jpe n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jpe s ALA 94 N -2.46 2.05 0.14 4.61 0.00 -0.89 -4.88 121.76 120.32 1jpe s ALA 94 Ca 0.00 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1jpe s ALA 94 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1jpe s ALA 94 CO 0.00 -1.97 0.12 0.95 0.00 0.00 0.00 175.76 174.86 1jpe s THR 95 N -2.23 0.10 -0.12 0.00 -4.23 -0.73 -1.30 115.64 107.12 1jpe s THR 95 Ca 0.71 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1jpe s THR 95 Cb -0.26 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1jpe s THR 95 CO 0.48 -0.44 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.79 1jpe s LEU 96 N -3.02 1.42 -0.31 4.79 2.96 -0.38 -0.37 118.68 123.77 1jpe s LEU 96 Ca 0.21 -0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 1jpe s LEU 96 Cb 0.06 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 1jpe s LEU 96 CO 0.01 -0.08 0.57 -0.89 -1.32 0.00 0.00 176.35 174.64 1jpe s THR 97 N 1.50 4.99 -0.25 3.68 2.01 0.62 -0.70 115.64 127.49 1jpe s THR 97 Ca 0.03 0.72 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 1jpe s THR 97 Cb -0.13 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1jpe s THR 97 CO -0.08 -0.11 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.03 1jpe s VAL 98 N 2.49 3.23 -0.00 3.82 1.01 0.39 -1.02 120.40 130.31 1jpe s VAL 98 Ca 0.22 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1jpe s VAL 98 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1jpe s VAL 98 CO 0.12 0.23 -0.20 -0.89 0.00 0.00 0.00 175.10 174.36 1jpe s THR 99 N 1.40 2.57 0.21 3.92 2.01 0.36 -0.31 115.64 125.81 1jpe s THR 99 Ca 0.02 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.78 1jpe s THR 99 Cb -0.16 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.38 1jpe s THR 99 CO -0.03 0.49 0.58 -0.72 -0.69 0.00 0.00 174.62 174.26 1jpe s TYR 100 N -0.76 -0.17 -0.09 4.92 -0.85 -0.53 -0.48 117.35 119.39 1jpe s TYR 100 Ca 0.12 -0.18 -0.07 0.00 -0.52 0.00 0.00 57.07 56.42 1jpe s TYR 100 Cb -0.10 0.49 0.03 0.00 0.38 0.00 0.00 41.96 42.76 1jpe s TYR 100 CO 0.02 -0.99 0.23 -1.14 -1.52 0.00 0.00 175.55 172.14 1jpe s GLN 101 N -3.88 0.24 0.22 -3.49 0.74 -1.26 -0.35 119.66 111.89 1jpe s GLN 101 Ca 0.09 0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.91 1jpe s GLN 101 Cb -0.02 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.08 1jpe s GLN 101 CO -0.01 -0.08 0.05 0.20 -0.55 0.00 0.00 175.29 174.90 1jpe s GLY 102 N 0.52 1.52 0.25 2.59 0.00 -1.26 -1.59 107.32 109.36 1jpe s GLY 102 Ca -0.03 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 42.94 1jpe s GLY 102 CO -0.03 -1.58 0.10 0.00 0.00 0.00 0.00 173.10 171.59 1jpe s ALA 104 N -3.83 2.97 0.58 0.00 0.00 0.62 -1.40 121.76 120.70 1jpe s ALA 104 Ca 0.38 -0.89 0.29 0.00 0.00 0.00 0.00 51.96 51.74 1jpe s ALA 104 Cb 0.08 -1.25 1.78 0.00 0.00 0.00 0.00 23.12 23.73 1jpe s ALA 104 CO 0.13 0.54 2.25 -0.44 0.00 0.00 0.00 175.76 178.24 1jpe h ASP 105 N 5.37 0.00 -0.06 0.00 3.32 -1.37 -1.62 116.42 122.07 1jpe h ASP 105 Ca -0.47 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.60 1jpe h ASP 105 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1jpe h ASP 105 CO 0.53 0.00 0.11 0.00 -1.72 0.00 0.00 179.24 178.16 1jpe h ALA 106 N 2.00 1.44 0.00 3.45 0.00 -1.94 -3.45 119.26 120.76 1jpe h ALA 106 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jpe h ALA 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jpe h ALA 106 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1jpe n GLY 107 N -1.27 0.99 3.52 0.00 0.00 -0.61 -5.13 105.19 102.70 1jpe n GLY 107 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1jpe n GLY 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jpe s PHE 108 N -1.30 -0.48 0.03 1.61 -0.12 -1.21 -5.03 117.98 111.48 1jpe s PHE 108 Ca 0.00 0.67 0.08 0.00 -0.05 0.00 0.00 56.93 57.63 1jpe s PHE 108 Cb 0.00 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 1jpe s PHE 108 CO 0.00 -0.54 -0.23 0.00 -0.05 0.00 0.00 175.22 174.40 1jpe s TYR 110 N -0.82 3.55 0.79 0.00 2.02 -0.52 -4.99 117.35 117.38 1jpe s TYR 110 Ca 0.12 0.90 -0.12 0.00 -0.37 0.00 0.00 57.07 57.61 1jpe s TYR 110 Cb -0.10 -2.45 0.06 0.00 -0.40 0.00 0.00 41.96 39.07 1jpe s TYR 110 CO 0.03 -0.43 1.12 -1.25 -1.57 0.00 0.00 175.55 173.44 1jpe s PRO 111 N -4.87 2.17 0.58 -1.71 0.04 -1.26 -4.54 135.00 125.41 1jpe s PRO 111 Ca 0.50 0.41 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 1jpe s PRO 111 Cb -0.10 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1jpe s PRO 111 CO 0.47 -1.51 1.30 -2.14 0.04 0.00 0.00 177.00 175.16 1jpe s PRO 112 N -5.34 2.96 0.05 0.56 0.02 -1.26 -4.71 135.00 127.28 1jpe s PRO 112 Ca 0.61 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.79 1jpe s PRO 112 Cb -0.13 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1jpe s PRO 112 CO 0.52 -1.29 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.68 1jpe s GLU 113 N -3.12 1.50 -0.06 5.54 2.12 0.53 -4.96 118.70 120.25 1jpe s GLU 113 Ca 0.76 -1.01 0.05 0.00 0.36 0.00 0.00 54.97 55.12 1jpe s GLU 113 Cb -0.37 -1.65 -0.00 0.00 0.26 0.00 0.00 34.13 32.36 1jpe s GLU 113 CO 0.42 0.42 -0.21 0.99 -0.54 0.00 0.00 175.26 176.34 1jpe s THR 114 N -0.82 1.78 -0.01 -1.70 2.01 -1.26 -1.45 115.64 114.19 1jpe s THR 114 Ca 0.09 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.27 1jpe s THR 114 Cb -0.09 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1jpe s THR 114 CO 0.02 0.50 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.66 1jpe s LYS 115 N 0.11 1.96 -0.27 4.92 -0.14 0.58 -4.97 119.74 121.92 1jpe s LYS 115 Ca -0.09 -0.90 -0.06 0.00 -1.36 0.00 0.00 55.97 53.57 1jpe s LYS 115 Cb -0.14 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1jpe s LYS 115 CO 0.05 0.52 0.05 0.99 -0.76 0.00 0.00 175.35 176.20 1jpe s THR 116 N -0.60 3.83 -0.24 2.17 2.01 -1.26 -0.46 115.64 121.08 1jpe s THR 116 Ca 0.10 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.34 1jpe s THR 116 Cb -0.09 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1jpe s THR 116 CO -0.01 0.18 0.31 -0.69 -0.69 0.00 0.00 174.62 173.72 1jpe s VAL 117 N 1.50 5.24 -0.16 3.82 1.01 0.12 -4.94 120.40 126.99 1jpe s VAL 117 Ca 0.03 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1jpe s VAL 117 Cb -0.16 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1jpe s VAL 117 CO 0.01 0.24 1.12 -2.16 0.00 0.00 0.00 175.10 174.31 1jpe s PRO 118 N 1.58 4.30 -0.01 2.72 0.04 -1.26 -1.25 135.00 141.12 1jpe s PRO 118 Ca 0.13 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 1jpe s PRO 118 Cb -0.15 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 1jpe s PRO 118 CO 0.08 -0.55 0.50 -0.51 0.04 0.00 0.00 177.00 176.56 1jpe s LEU 119 N 2.86 4.42 0.33 -3.56 1.43 -0.42 -4.97 118.68 118.77 1jpe s LEU 119 Ca 0.50 1.03 -0.27 0.00 -1.03 0.00 0.00 54.13 54.36 1jpe s LEU 119 Cb -0.19 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 1jpe s LEU 119 CO 0.14 0.19 1.01 -0.44 0.23 0.00 0.00 176.35 177.47 1jpe s SER 120 N -0.47 7.18 0.36 2.29 0.01 -1.26 -4.27 113.70 117.54 1jpe s SER 120 Ca 0.27 1.99 -0.28 0.00 1.31 0.00 0.00 55.95 59.25 1jpe s SER 120 Cb -0.17 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.35 1jpe s SER 120 CO 0.15 -0.18 1.33 1.21 0.41 0.00 0.00 173.24 176.15 1jpe n GLU 121 N 0.60 2.22 -3.71 12.44 2.13 -1.26 -4.82 120.64 128.24 1jpe n GLU 121 Ca 0.02 0.78 -0.20 0.00 0.66 0.00 0.00 57.16 58.42 1jpe n GLU 121 Cb 0.49 -2.41 -0.18 0.00 0.27 0.00 0.00 31.44 29.61 1jpe n GLU 121 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1jpe s VAL 122 N -1.11 -0.02 0.01 6.31 1.01 0.20 -4.94 120.40 121.86 1jpe s VAL 122 Ca 0.56 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1jpe s VAL 122 Cb -0.54 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1jpe s VAL 122 CO 0.62 0.18 0.92 -0.69 0.00 0.00 0.00 175.10 176.13 1jpe s VAL 123 N 1.95 4.85 1.06 2.92 1.01 -1.26 -1.07 120.40 129.86 1jpe s VAL 123 Ca 0.03 1.95 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 1jpe s VAL 123 Cb -0.12 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.03 1jpe s VAL 123 CO -0.03 0.20 -0.32 0.00 0.00 0.00 0.00 175.10 174.95 1jpe n ALA 124 N 3.70 -3.78 -0.11 5.51 0.00 -1.25 -4.83 120.51 119.74 1jpe n ALA 124 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1jpe n ALA 124 Cb 0.51 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1jpe n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59