#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e83 n LEU 2 N 0.00 3.92 -4.88 3.17 4.77 -1.26 -4.92 117.00 117.80 2e83 n LEU 2 Ca 0.00 1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.68 2e83 n LEU 2 Cb 0.00 -1.53 0.02 0.00 -2.33 0.00 0.00 43.42 39.58 2e83 n LEU 2 CO 0.00 0.12 0.68 -2.16 -1.33 0.00 0.00 177.39 174.70 2e83 s PRO 3 N 2.58 3.42 0.34 3.23 0.04 -1.26 -4.97 135.00 138.38 2e83 s PRO 3 Ca 0.82 0.58 0.10 0.00 0.04 0.00 0.00 61.00 62.54 2e83 s PRO 3 Cb -0.51 -2.12 0.86 0.00 0.04 0.00 0.00 34.50 32.76 2e83 s PRO 3 CO 0.38 -0.61 1.79 0.78 0.04 0.00 0.00 177.00 179.38 2e83 h GLY 4 N -0.29 1.55 1.67 0.56 0.00 -2.00 -0.77 103.07 103.79 2e83 h GLY 4 Ca -0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2e83 h GLY 4 CO 0.62 -0.07 0.03 -0.84 0.00 0.00 0.00 176.54 176.28 2e83 h THR 5 N 0.64 1.16 -0.57 4.70 2.02 -1.99 -1.11 112.91 117.76 2e83 h THR 5 Ca 0.56 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 2e83 h THR 5 Cb 1.05 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2e83 h THR 5 CO -0.34 0.21 0.17 0.15 0.37 0.00 0.00 175.52 176.08 2e83 h PHE 6 N 0.41 0.92 0.00 3.16 3.04 -1.51 -1.73 116.94 121.22 2e83 h PHE 6 Ca 0.10 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 2e83 h PHE 6 Cb 0.23 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 2e83 h PHE 6 CO 0.01 0.77 -0.39 0.74 -2.02 0.00 0.00 178.31 177.42 2e83 h PHE 7 N 0.80 0.00 -0.54 0.41 0.04 -1.15 -2.24 116.94 114.26 2e83 h PHE 7 Ca 0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 2e83 h PHE 7 Cb 0.29 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2e83 h PHE 7 CO 0.02 0.39 0.05 0.93 -0.60 0.00 0.00 178.31 179.10 2e83 h GLU 8 N 0.00 0.92 -0.86 1.51 4.39 -0.88 -2.58 114.58 117.08 2e83 h GLU 8 Ca -0.00 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.47 2e83 h GLU 8 Cb 0.72 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 2e83 h GLU 8 CO 0.05 0.91 0.57 0.28 -1.16 0.00 0.00 179.01 179.66 2e83 h VAL 9 N 0.80 1.12 0.00 3.13 2.07 -0.80 -2.16 116.25 120.42 2e83 h VAL 9 Ca 0.16 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2e83 h VAL 9 Cb 0.46 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2e83 h VAL 9 CO 0.02 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.73 2e83 h LEU 10 N 1.05 0.00 0.00 2.57 3.38 -1.02 -1.53 115.31 119.76 2e83 h LEU 10 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2e83 h LEU 10 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2e83 h LEU 10 CO -0.11 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.71 2e83 n LYS 11 N -2.84 0.44 -4.40 1.13 5.02 -0.81 -4.47 118.16 112.23 2e83 n LYS 11 Ca 0.00 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 2e83 n LYS 11 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 2e83 n LYS 11 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2e83 s ASN 12 N -2.54 3.70 0.38 4.39 0.01 -0.58 -5.09 114.94 115.22 2e83 s ASN 12 Ca 0.28 -0.82 -0.27 0.00 -0.71 0.00 0.00 52.86 51.34 2e83 s ASN 12 Cb 0.19 -0.40 -0.10 0.00 0.41 0.00 0.00 41.25 41.36 2e83 s ASN 12 CO 0.44 0.10 1.38 -1.61 -1.51 0.00 0.00 177.10 175.89 2e83 s GLU 13 N -2.92 4.08 -0.11 -0.60 2.02 -1.26 -4.60 118.70 115.30 2e83 s GLU 13 Ca 0.24 2.35 -0.33 0.00 0.02 0.00 0.00 54.97 57.25 2e83 s GLU 13 Cb -0.07 -2.90 0.15 0.00 0.10 0.00 0.00 34.13 31.40 2e83 s GLU 13 CO 0.13 -0.47 1.41 0.20 0.02 0.00 0.00 175.26 176.54 2e83 s GLY 14 N -0.44 -0.45 -0.25 -1.39 0.00 -1.26 -4.85 107.32 98.68 2e83 s GLY 14 Ca 0.54 1.07 -0.09 0.00 0.00 0.00 0.00 44.72 46.24 2e83 s GLY 14 CO 0.56 0.24 0.12 0.14 0.00 0.00 0.00 173.10 174.16 2e83 s VAL 15 N -2.09 4.85 0.01 1.40 1.01 -1.26 -0.88 120.40 123.44 2e83 s VAL 15 Ca 0.14 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2e83 s VAL 15 Cb 0.06 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 2e83 s VAL 15 CO -0.06 0.32 0.46 -0.69 0.00 0.00 0.00 175.10 175.14 2e83 s VAL 16 N 1.47 4.95 -0.06 2.92 1.01 0.11 -4.66 120.40 126.15 2e83 s VAL 16 Ca 0.06 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.06 2e83 s VAL 16 Cb -0.15 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2e83 s VAL 16 CO 0.06 0.55 -0.22 0.00 0.00 0.00 0.00 175.10 175.50 2e83 s ALA 17 N -0.96 2.31 -0.18 5.51 0.00 -0.36 -1.89 121.76 126.19 2e83 s ALA 17 Ca 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2e83 s ALA 17 Cb -0.17 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.20 2e83 s ALA 17 CO 0.15 0.43 -0.10 0.42 0.00 0.00 0.00 175.76 176.66 2e83 s ILE 18 N -0.22 1.48 -0.13 0.00 1.01 0.47 -1.22 121.20 122.59 2e83 s ILE 18 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 2e83 s ILE 18 Cb -0.13 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2e83 s ILE 18 CO 0.03 0.24 0.08 0.00 0.00 0.00 0.00 174.94 175.29 2e83 s ALA 19 N 1.48 3.59 0.28 9.38 0.00 0.63 -1.68 121.76 135.44 2e83 s ALA 19 Ca 0.01 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.30 2e83 s ALA 19 Cb -0.15 -1.82 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 2e83 s ALA 19 CO -0.09 0.49 -0.00 0.95 0.00 0.00 0.00 175.76 177.11 2e83 s THR 20 N -0.61 1.30 -0.31 0.00 -4.23 -0.35 -2.02 115.64 109.42 2e83 s THR 20 Ca 0.12 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.38 2e83 s THR 20 Cb -0.12 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 2e83 s THR 20 CO 0.02 -0.22 0.58 -1.58 -0.54 0.00 0.00 174.62 172.88 2e83 s GLN 21 N -3.82 3.86 0.58 3.99 2.00 -1.26 -0.99 119.66 124.02 2e83 s GLN 21 Ca 0.31 0.18 0.04 0.00 -2.00 0.00 0.00 55.36 53.90 2e83 s GLN 21 Cb 0.06 -3.73 0.11 0.00 0.80 0.00 0.00 33.01 30.24 2e83 s GLN 21 CO 0.12 -0.55 0.80 0.41 -0.50 0.00 0.00 175.29 175.57 2e83 n GLY 22 N 4.52 1.33 0.15 2.59 0.00 0.08 -4.69 105.19 109.16 2e83 n GLY 22 Ca -0.03 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 2e83 n GLY 22 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2e83 h GLU 23 N 0.00 0.15 -1.39 1.61 5.08 -1.97 -3.31 114.58 114.74 2e83 h GLU 23 Ca -0.27 -0.11 -0.49 0.00 -1.00 0.00 0.00 59.36 57.49 2e83 h GLU 23 Cb 1.10 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.96 2e83 h GLU 23 CO 0.33 0.76 -0.93 -3.47 -1.00 0.00 0.00 179.01 174.70 2e83 n ASP 24 N -3.80 3.22 0.00 1.42 2.03 -1.26 -5.09 116.55 113.07 2e83 n ASP 24 Ca -0.02 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 52.00 2e83 n ASP 24 Cb 0.66 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2e83 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e83 n GLY 25 N -0.26 1.13 3.78 0.27 0.00 -1.25 -5.08 105.19 103.78 2e83 n GLY 25 Ca 0.26 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 2e83 n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e83 s PRO 26 N -1.15 2.26 0.21 1.61 0.04 -1.26 -0.74 135.00 135.96 2e83 s PRO 26 Ca 0.00 1.01 0.10 0.00 0.04 0.00 0.00 61.00 62.14 2e83 s PRO 26 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2e83 s PRO 26 CO 0.00 -1.60 -0.19 -1.58 0.04 0.00 0.00 177.00 173.68 2e83 s HIS 27 N -2.97 1.98 -0.12 0.56 2.46 -0.16 -4.68 115.29 112.36 2e83 s HIS 27 Ca 0.61 -0.44 -0.05 0.00 0.47 0.00 0.00 55.06 55.64 2e83 s HIS 27 Cb -0.16 -0.93 0.06 0.00 -0.13 0.00 0.00 32.58 31.41 2e83 s HIS 27 CO 0.56 0.46 0.26 -1.17 -2.47 0.00 0.00 174.74 172.38 2e83 s LEU 28 N -3.04 -0.06 0.32 8.88 2.96 -1.26 -1.21 118.68 125.27 2e83 s LEU 28 Ca 0.22 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2e83 s LEU 28 Cb -0.05 0.72 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 2e83 s LEU 28 CO 0.09 -0.21 0.12 0.68 -1.32 0.00 0.00 176.35 175.71 2e83 s VAL 29 N 2.02 0.59 0.14 1.68 -7.23 -0.67 -4.96 120.40 111.97 2e83 s VAL 29 Ca -0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2e83 s VAL 29 Cb -0.11 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2e83 s VAL 29 CO -0.09 0.00 -0.13 0.20 -0.31 0.00 0.00 175.10 174.77 2e83 s ASN 30 N -3.44 2.04 0.29 4.85 -0.87 -1.26 -0.40 114.94 116.15 2e83 s ASN 30 Ca 0.33 -0.88 0.03 0.00 -1.57 0.00 0.00 52.86 50.78 2e83 s ASN 30 Cb 0.06 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.25 41.19 2e83 s ASN 30 CO 0.16 -0.18 0.25 0.68 -2.57 0.00 0.00 177.10 175.43 2e83 s VAL 31 N -2.49 0.00 0.19 1.60 -7.23 -0.79 -4.99 120.40 106.70 2e83 s VAL 31 Ca 0.12 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 2e83 s VAL 31 Cb -0.03 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 2e83 s VAL 31 CO 0.03 0.00 0.55 0.26 -0.31 0.00 0.00 175.10 175.63 2e83 s TRP 32 N -3.67 3.50 0.25 2.82 0.52 -1.26 0.09 118.94 121.18 2e83 s TRP 32 Ca 0.39 0.95 -0.06 0.00 0.02 0.00 0.00 56.10 57.40 2e83 s TRP 32 Cb 0.04 -2.30 0.47 0.00 -1.15 0.00 0.00 33.47 30.52 2e83 s TRP 32 CO 0.22 0.34 1.64 -0.91 0.02 0.00 0.00 176.95 178.25 2e83 h ASN 33 N 2.98 -0.30 0.66 2.95 4.21 -1.30 -0.93 115.58 123.86 2e83 h ASN 33 Ca -0.48 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2e83 h ASN 33 Cb 1.18 0.33 0.00 0.00 -1.12 0.00 0.00 38.32 38.71 2e83 h ASN 33 CO 0.68 -0.17 0.00 -1.54 -1.29 0.00 0.00 177.43 175.10 2e83 n SER 34 N -5.33 0.11 0.16 5.81 3.41 -1.26 -2.48 113.62 114.05 2e83 n SER 34 Ca 0.14 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.33 2e83 n SER 34 Cb 0.50 -0.55 0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2e83 n SER 34 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2e83 h TYR 35 N 0.00 0.00 -3.21 7.33 0.99 -1.54 -3.46 116.97 117.07 2e83 h TYR 35 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 2e83 h TYR 35 Cb 0.33 0.00 0.04 0.00 1.00 0.00 0.00 36.73 38.11 2e83 h TYR 35 CO 0.00 0.36 0.76 -0.51 -0.00 0.00 0.00 178.16 178.77 2e83 s LEU 36 N -6.39 4.39 -0.18 3.88 1.02 -1.03 -4.63 118.68 115.73 2e83 s LEU 36 Ca 0.05 2.55 -0.01 0.00 0.02 0.00 0.00 54.13 56.74 2e83 s LEU 36 Cb 0.07 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.67 2e83 s LEU 36 CO 0.72 -0.68 -0.14 -0.75 0.02 0.00 0.00 176.35 175.52 2e83 s LYS 37 N 0.20 3.19 -0.22 1.70 2.47 -0.29 -4.97 119.74 121.82 2e83 s LYS 37 Ca 0.62 -0.74 -0.09 0.00 -1.56 0.00 0.00 55.97 54.19 2e83 s LYS 37 Cb -0.40 -2.71 -0.04 0.00 -1.46 0.00 0.00 37.83 33.22 2e83 s LYS 37 CO 0.38 -0.10 0.12 0.08 0.16 0.00 0.00 175.35 175.99 2e83 s VAL 38 N 1.12 5.07 0.29 4.02 1.01 -1.26 -0.19 120.40 130.46 2e83 s VAL 38 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2e83 s VAL 38 Cb -0.14 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2e83 s VAL 38 CO -0.05 0.38 0.03 -0.76 0.00 0.00 0.00 175.10 174.70 2e83 s LEU 39 N 0.92 3.20 0.87 3.92 1.43 0.13 -5.01 118.68 124.13 2e83 s LEU 39 Ca 0.06 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2e83 s LEU 39 Cb -0.13 -1.70 0.12 0.00 0.03 0.00 0.00 46.19 44.51 2e83 s LEU 39 CO 0.03 -0.08 1.18 1.51 0.23 0.00 0.00 176.35 179.22 2e83 s ASP 40 N -3.71 3.15 0.00 2.29 1.47 -1.26 -2.54 116.67 116.07 2e83 s ASP 40 Ca 0.33 2.28 0.00 0.00 1.18 0.00 0.00 52.55 56.34 2e83 s ASP 40 Cb -0.05 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 2e83 s ASP 40 CO 0.20 -2.96 0.00 0.61 0.68 0.00 0.00 175.17 173.71 2e83 n GLY 41 N 0.37 0.51 3.33 2.12 0.00 -1.26 -4.15 105.19 106.12 2e83 n GLY 41 Ca 0.13 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 2e83 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e83 n ASN 42 N 1.72 -5.34 -4.45 1.61 3.02 -1.23 -4.76 115.26 105.83 2e83 n ASN 42 Ca 0.00 -0.49 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 2e83 n ASN 42 Cb 0.13 -4.55 -0.13 0.00 -0.61 0.00 0.00 39.78 34.63 2e83 n ASN 42 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e83 s ARG 43 N -6.03 3.59 -0.19 3.52 0.52 -1.05 -0.34 118.95 118.97 2e83 s ARG 43 Ca 0.45 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2e83 s ARG 43 Cb -0.20 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.30 2e83 s ARG 43 CO 0.65 0.11 -0.00 0.42 0.02 0.00 0.00 175.30 176.50 2e83 s ILE 44 N 0.70 4.00 -0.12 1.52 1.01 0.25 -0.70 121.20 127.86 2e83 s ILE 44 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2e83 s ILE 44 Cb -0.14 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 2e83 s ILE 44 CO 0.02 0.44 -0.17 -0.69 0.00 0.00 0.00 174.94 174.54 2e83 s VAL 45 N 0.85 2.64 0.08 2.92 1.01 0.74 -0.33 120.40 128.31 2e83 s VAL 45 Ca 0.01 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2e83 s VAL 45 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2e83 s VAL 45 CO 0.02 0.54 -0.17 0.68 0.00 0.00 0.00 175.10 176.16 2e83 s VAL 46 N 0.37 1.39 0.13 2.92 -7.23 -0.32 -1.13 120.40 116.52 2e83 s VAL 46 Ca -0.14 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 2e83 s VAL 46 Cb -0.17 -1.29 -0.07 0.00 0.56 0.00 0.00 36.38 35.41 2e83 s VAL 46 CO 0.07 -0.12 1.19 -2.16 -0.31 0.00 0.00 175.10 173.77 2e83 s PRO 47 N -1.74 4.48 -0.25 4.82 0.04 -1.26 -0.92 135.00 140.17 2e83 s PRO 47 Ca 0.02 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 2e83 s PRO 47 Cb -0.10 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2e83 s PRO 47 CO 0.03 -0.14 0.08 0.08 0.04 0.00 0.00 177.00 177.09 2e83 s VAL 48 N 0.42 4.43 -0.07 -0.36 1.01 -0.19 -4.88 120.40 120.76 2e83 s VAL 48 Ca 0.55 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 2e83 s VAL 48 Cb -0.31 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2e83 s VAL 48 CO 0.33 0.33 -0.18 0.61 0.00 0.00 0.00 175.10 176.19 2e83 n GLY 49 N 4.91 -0.28 0.00 4.51 0.00 -1.26 0.24 105.19 113.31 2e83 n GLY 49 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2e83 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e83 n GLY 50 N 2.36 0.79 2.41 -0.02 0.00 -1.26 -4.71 105.19 104.76 2e83 n GLY 50 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2e83 n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2e83 n MET 51 N 0.00 -1.90 -0.09 1.61 2.00 -1.26 -4.87 117.12 112.61 2e83 n MET 51 Ca 0.00 0.83 -0.11 0.00 0.00 0.00 0.00 57.70 58.43 2e83 n MET 51 Cb 0.00 -5.45 0.03 0.00 0.00 0.00 0.00 33.22 27.80 2e83 n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2e83 h HIS 52 N 0.00 0.97 -0.22 2.03 3.86 -1.99 0.10 115.15 119.90 2e83 h HIS 52 Ca -0.40 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 58.46 2e83 h HIS 52 Cb 1.29 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 2e83 h HIS 52 CO 0.62 1.05 -0.18 -0.22 0.86 0.00 0.00 177.93 180.06 2e83 h LYS 53 N 0.69 0.51 -0.80 2.45 3.64 -2.00 -2.06 116.57 119.00 2e83 h LYS 53 Ca 0.07 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 2e83 h LYS 53 Cb 0.90 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 2e83 h LYS 53 CO 0.08 0.83 0.49 1.15 -2.27 0.00 0.00 179.45 179.73 2e83 h THR 54 N 0.21 1.05 -0.63 1.00 2.02 -1.93 -1.39 112.91 113.24 2e83 h THR 54 Ca 0.04 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 2e83 h THR 54 Cb 0.71 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2e83 h THR 54 CO 0.05 0.17 0.02 -0.08 0.37 0.00 0.00 175.52 176.04 2e83 h GLU 55 N 0.92 1.09 -0.83 6.66 4.81 -0.68 -0.95 114.58 125.59 2e83 h GLU 55 Ca 0.34 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2e83 h GLU 55 Cb 0.13 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2e83 h GLU 55 CO -0.16 1.05 0.38 0.00 -0.73 0.00 0.00 179.01 179.55 2e83 h ALA 56 N 1.00 1.07 -0.48 2.92 0.00 -0.96 -1.58 119.26 121.23 2e83 h ALA 56 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2e83 h ALA 56 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2e83 h ALA 56 CO 0.03 0.65 0.15 -0.91 0.00 0.00 0.00 179.25 179.17 2e83 h ASN 57 N 1.19 0.70 -0.29 0.00 2.35 -0.90 -2.72 115.58 115.91 2e83 h ASN 57 Ca 0.28 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2e83 h ASN 57 Cb 0.15 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2e83 h ASN 57 CO -0.03 0.72 0.12 0.58 -1.65 0.00 0.00 177.43 177.17 2e83 h VAL 58 N 0.64 1.15 -0.20 2.81 2.07 -0.89 0.10 116.25 121.93 2e83 h VAL 58 Ca 0.15 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2e83 h VAL 58 Cb 0.27 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2e83 h VAL 58 CO -0.00 0.18 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 2e83 h ALA 59 N 1.64 1.63 0.08 1.67 0.00 -0.98 -2.89 119.26 120.41 2e83 h ALA 59 Ca 0.12 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 2e83 h ALA 59 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2e83 h ALA 59 CO -0.01 0.28 -1.74 0.00 0.00 0.00 0.00 179.25 177.77 2e83 h ARG 60 N 0.29 0.17 -2.52 0.00 3.08 -1.13 -3.45 114.38 110.81 2e83 h ARG 60 Ca 0.07 -0.28 -0.31 0.00 0.07 0.00 0.00 59.98 59.53 2e83 h ARG 60 Cb 0.20 0.11 -0.35 0.00 0.08 0.00 0.00 29.97 30.00 2e83 h ARG 60 CO 0.00 0.94 -0.62 0.34 -1.07 0.00 0.00 179.97 179.56 2e83 s ASP 61 N -6.69 1.29 0.18 7.04 3.68 0.26 -5.03 116.67 117.39 2e83 s ASP 61 Ca -0.12 -0.17 0.23 0.00 2.13 0.00 0.00 52.55 54.62 2e83 s ASP 61 Cb 0.07 0.42 0.90 0.00 -1.45 0.00 0.00 42.92 42.86 2e83 s ASP 61 CO 0.81 -0.32 1.69 -1.84 0.13 0.00 0.00 175.17 175.64 2e83 n GLU 62 N 5.32 0.15 -2.57 4.34 0.28 -1.11 -3.92 120.64 123.13 2e83 n GLU 62 Ca -0.05 0.31 -0.42 0.00 -0.16 0.00 0.00 57.16 56.84 2e83 n GLU 62 Cb 0.50 -1.75 -0.03 0.00 1.43 0.00 0.00 31.44 31.58 2e83 n GLU 62 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2e83 s ARG 63 N -3.19 4.49 0.18 3.44 0.52 -1.26 -0.37 118.95 122.77 2e83 s ARG 63 Ca 0.07 1.59 0.04 0.00 -0.52 0.00 0.00 55.73 56.91 2e83 s ARG 63 Cb 0.11 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 2e83 s ARG 63 CO 0.42 -0.16 -0.07 0.14 0.02 0.00 0.00 175.30 175.65 2e83 s VAL 64 N 1.08 1.16 0.07 3.52 -7.23 -0.06 -4.53 120.40 114.41 2e83 s VAL 64 Ca 0.55 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 2e83 s VAL 64 Cb -0.25 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2e83 s VAL 64 CO 0.28 -0.57 -0.25 -0.76 -0.31 0.00 0.00 175.10 173.49 2e83 s LEU 65 N -3.23 2.21 -0.02 1.32 1.02 -0.86 -2.30 118.68 116.81 2e83 s LEU 65 Ca 0.22 -0.62 0.01 0.00 0.02 0.00 0.00 54.13 53.76 2e83 s LEU 65 Cb 0.04 -1.21 0.01 0.00 0.02 0.00 0.00 46.19 45.05 2e83 s LEU 65 CO 0.04 0.22 -0.05 -0.32 0.02 0.00 0.00 176.35 176.26 2e83 s MET 66 N -1.44 0.59 0.13 1.70 1.75 0.27 -0.27 119.30 122.04 2e83 s MET 66 Ca 0.11 -0.14 0.09 0.00 -1.25 0.00 0.00 55.69 54.50 2e83 s MET 66 Cb -0.10 -0.60 -0.04 0.00 2.84 0.00 0.00 34.83 36.93 2e83 s MET 66 CO 0.03 0.03 -0.22 0.95 -0.65 0.00 0.00 175.02 175.15 2e83 s THR 67 N 0.36 1.94 0.11 10.11 -4.23 -0.35 0.30 115.64 123.88 2e83 s THR 67 Ca -0.04 -1.72 -0.25 0.00 -1.18 0.00 0.00 61.69 58.49 2e83 s THR 67 Cb -0.08 -1.78 0.08 0.00 1.34 0.00 0.00 72.50 72.05 2e83 s THR 67 CO -0.00 -0.08 0.77 -1.48 -0.54 0.00 0.00 174.62 173.29 2e83 s LEU 68 N -2.17 -0.41 0.00 4.79 2.34 -1.12 -1.22 118.68 120.89 2e83 s LEU 68 Ca 0.12 -0.12 -0.12 0.00 0.06 0.00 0.00 54.13 54.07 2e83 s LEU 68 Cb -0.09 2.33 0.04 0.00 -0.56 0.00 0.00 46.19 47.91 2e83 s LEU 68 CO 0.06 -0.87 0.55 0.61 -1.06 0.00 0.00 176.35 175.64 2e83 n GLY 69 N -0.35 0.70 3.63 -3.48 0.00 -1.26 -0.76 105.19 103.67 2e83 n GLY 69 Ca -0.11 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2e83 n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e83 s SER 70 N -2.25 -0.74 0.36 1.61 0.15 -0.34 -4.74 113.70 107.75 2e83 s SER 70 Ca 0.13 1.36 0.27 0.00 0.70 0.00 0.00 55.95 58.40 2e83 s SER 70 Cb -0.01 1.36 1.22 0.00 -1.71 0.00 0.00 66.02 66.88 2e83 s SER 70 CO 0.01 -0.23 1.81 0.03 1.20 0.00 0.00 173.24 176.06 2e83 h ARG 71 N 5.39 0.00 -0.20 5.44 2.47 -1.91 -2.01 114.38 123.56 2e83 h ARG 71 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2e83 h ARG 71 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2e83 h ARG 71 CO 0.09 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.25 2e83 n LYS 72 N -2.47 2.13 -5.20 0.04 5.02 -1.26 -3.09 118.16 113.33 2e83 n LYS 72 Ca 0.01 -1.68 -0.32 0.00 -2.02 0.00 0.00 58.31 54.30 2e83 n LYS 72 Cb 0.18 -1.46 -0.17 0.00 -0.02 0.00 0.00 35.03 33.56 2e83 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2e83 s VAL 73 N -1.76 2.03 0.20 -0.18 1.01 -1.19 -4.92 120.40 115.59 2e83 s VAL 73 Ca 0.34 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2e83 s VAL 73 Cb 0.20 -1.75 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 2e83 s VAL 73 CO 0.30 0.55 1.28 0.00 0.00 0.00 0.00 175.10 177.24 2e83 s ALA 74 N 0.31 3.50 0.37 5.51 0.00 -1.26 -1.10 121.76 129.09 2e83 s ALA 74 Ca -0.18 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2e83 s ALA 74 Cb -0.18 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2e83 s ALA 74 CO 0.08 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2e83 n GLY 75 N 2.23 0.89 0.23 0.00 0.00 0.02 -4.71 105.19 103.84 2e83 n GLY 75 Ca 0.05 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.28 2e83 n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2e83 h ARG 76 N 0.00 0.00 -0.05 1.61 3.08 -1.84 -3.35 114.38 113.82 2e83 h ARG 76 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2e83 h ARG 76 Cb 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.68 2e83 h ARG 76 CO 0.00 0.11 -1.02 0.09 -1.07 0.00 0.00 179.97 178.08 2e83 n ASN 77 N -3.17 1.13 0.00 7.04 3.02 -1.26 -5.12 115.26 116.90 2e83 n ASN 77 Ca 0.02 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.45 2e83 n ASN 77 Cb 0.47 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2e83 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e83 n GLY 78 N 0.28 -0.69 3.74 7.41 0.00 -1.26 -5.10 105.19 109.57 2e83 n GLY 78 Ca 0.07 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2e83 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e83 s PRO 79 N -1.66 4.47 0.00 1.61 0.04 -1.26 -0.80 135.00 137.39 2e83 s PRO 79 Ca 0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2e83 s PRO 79 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2e83 s PRO 79 CO 0.00 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2e83 n GLY 80 N 2.10 2.25 3.70 0.56 0.00 -0.26 -4.72 105.19 108.81 2e83 n GLY 80 Ca 0.04 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2e83 n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e83 s THR 81 N -0.40 0.00 0.13 2.61 -1.32 -0.76 -2.46 115.64 113.44 2e83 s THR 81 Ca 0.00 -1.22 -0.24 0.00 -1.21 0.00 0.00 61.69 59.02 2e83 s THR 81 Cb 0.00 -2.54 0.08 0.00 -1.51 0.00 0.00 72.50 68.54 2e83 s THR 81 CO 0.00 0.00 1.11 -0.83 -2.21 0.00 0.00 174.62 172.69 2e83 s GLY 82 N -3.07 0.05 0.02 6.08 0.00 -1.26 -1.19 107.32 107.95 2e83 s GLY 82 Ca 0.19 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.69 2e83 s GLY 82 CO 0.12 3.48 -0.07 -1.36 0.00 0.00 0.00 173.10 175.27 2e83 s PHE 83 N -2.09 0.61 -0.25 1.90 0.40 0.06 -1.53 117.98 117.07 2e83 s PHE 83 Ca 0.24 -0.29 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 2e83 s PHE 83 Cb -0.02 -0.38 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 2e83 s PHE 83 CO 0.04 -0.04 0.11 -1.17 0.70 0.00 0.00 175.22 174.85 2e83 s LEU 84 N -0.82 3.66 -0.13 -0.37 2.96 0.13 -2.78 118.68 121.32 2e83 s LEU 84 Ca -0.03 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2e83 s LEU 84 Cb -0.06 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2e83 s LEU 84 CO 0.00 -0.01 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.34 2e83 s ILE 85 N 1.51 3.82 -0.06 6.68 -1.09 0.15 -0.99 121.20 131.22 2e83 s ILE 85 Ca 0.06 -0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2e83 s ILE 85 Cb -0.15 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 2e83 s ILE 85 CO 0.05 0.52 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.99 2e83 s ARG 86 N 0.07 2.57 0.19 2.79 0.52 -0.56 -0.56 118.95 123.97 2e83 s ARG 86 Ca -0.01 -0.75 -0.21 0.00 -0.52 0.00 0.00 55.73 54.24 2e83 s ARG 86 Cb -0.14 -2.34 0.08 0.00 0.52 0.00 0.00 34.95 33.07 2e83 s ARG 86 CO 0.03 0.54 1.02 0.41 0.02 0.00 0.00 175.30 177.32 2e83 n GLY 87 N 2.55 0.61 3.67 -3.53 0.00 -0.97 -0.15 105.19 107.36 2e83 n GLY 87 Ca -0.17 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2e83 n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e83 s SER 88 N -3.43 5.04 0.07 1.61 1.04 -0.68 -0.88 113.70 116.47 2e83 s SER 88 Ca 0.23 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.70 2e83 s SER 88 Cb -0.03 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 2e83 s SER 88 CO 0.06 0.28 -0.13 0.00 0.98 0.00 0.00 173.24 174.43 2e83 s ALA 89 N -1.06 2.83 0.02 5.32 0.00 0.50 -0.66 121.76 128.71 2e83 s ALA 89 Ca 0.19 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2e83 s ALA 89 Cb -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2e83 s ALA 89 CO 0.09 0.61 0.11 0.00 0.00 0.00 0.00 175.76 176.57 2e83 s ALA 90 N -1.09 -0.17 -0.27 0.00 0.00 -0.37 -4.84 121.76 115.01 2e83 s ALA 90 Ca 0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 2e83 s ALA 90 Cb -0.11 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.21 2e83 s ALA 90 CO 0.10 -0.26 0.02 -0.06 0.00 0.00 0.00 175.76 175.56 2e83 s PHE 91 N -2.00 3.11 -0.05 0.00 0.40 -1.26 -0.39 117.98 117.80 2e83 s PHE 91 Ca -0.10 -1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 55.00 2e83 s PHE 91 Cb -0.05 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 2e83 s PHE 91 CO -0.02 -0.63 0.09 1.03 0.70 0.00 0.00 175.22 176.39 2e83 s ARG 92 N 1.43 3.19 0.00 0.44 1.81 0.23 -4.92 118.95 121.13 2e83 s ARG 92 Ca 0.02 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.66 2e83 s ARG 92 Cb -0.17 -2.96 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 2e83 s ARG 92 CO -0.00 0.69 0.53 0.25 -0.68 0.00 0.00 175.30 176.09 2e83 n THR 93 N 1.52 0.28 -3.90 0.02 -2.24 -1.26 -0.53 114.28 108.16 2e83 n THR 93 Ca -0.15 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 2e83 n THR 93 Cb 0.53 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 2e83 n THR 93 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2e83 s ASP 94 N -0.28 -0.04 0.00 3.42 3.84 -1.26 -5.01 116.67 117.34 2e83 s ASP 94 Ca 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 52.55 51.64 2e83 s ASP 94 Cb 0.00 0.73 0.00 0.00 -1.38 0.00 0.00 42.92 42.27 2e83 s ASP 94 CO 0.00 -1.40 0.00 0.61 -0.00 0.00 0.00 175.17 174.38 2e83 n GLY 95 N -0.47 -0.29 0.34 2.12 0.00 -1.26 -4.14 105.19 101.49 2e83 n GLY 95 Ca -0.04 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.30 2e83 n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2e83 h PRO 96 N 0.00 0.62 -0.06 1.61 0.11 -2.02 -0.66 132.00 131.60 2e83 h PRO 96 Ca 0.00 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.93 2e83 h PRO 96 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2e83 h PRO 96 CO 0.00 0.41 -0.59 0.93 -0.21 0.00 0.00 178.00 178.54 2e83 h GLU 97 N 0.64 0.21 -0.16 1.05 5.08 -2.00 -1.59 114.58 117.80 2e83 h GLU 97 Ca 0.60 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 58.60 2e83 h GLU 97 Cb 1.04 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.32 2e83 h GLU 97 CO -0.44 0.74 -0.76 0.35 -1.00 0.00 0.00 179.01 177.90 2e83 h PHE 98 N 0.15 1.07 0.00 4.33 3.57 -1.53 -3.11 116.94 121.42 2e83 h PHE 98 Ca -0.00 -0.47 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2e83 h PHE 98 Cb 1.08 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 2e83 h PHE 98 CO 0.02 1.30 -0.03 0.93 -2.23 0.00 0.00 178.31 178.30 2e83 h GLU 99 N 0.53 0.00 0.00 1.11 5.08 -0.88 -2.28 114.58 118.14 2e83 h GLU 99 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2e83 h GLU 99 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2e83 h GLU 99 CO 0.16 0.03 -0.04 0.00 -1.00 0.00 0.00 179.01 178.15 2e83 h ALA 100 N 1.97 1.14 -0.35 3.43 0.00 -1.22 -1.61 119.26 122.62 2e83 h ALA 100 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2e83 h ALA 100 Cb 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2e83 h ALA 100 CO 0.00 0.05 0.02 0.44 0.00 0.00 0.00 179.25 179.77 2e83 n ILE 101 N -3.34 2.45 0.23 0.00 -5.35 -0.86 -4.74 119.36 107.75 2e83 n ILE 101 Ca -0.02 -2.10 0.16 0.00 -0.27 0.00 0.00 62.75 60.52 2e83 n ILE 101 Cb 0.19 -0.29 0.84 0.00 -1.74 0.00 0.00 39.64 38.63 2e83 n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2e83 h ALA 102 N 1.64 1.75 0.00 -1.28 0.00 -1.38 -1.41 119.26 118.59 2e83 h ALA 102 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2e83 h ALA 102 Cb 1.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2e83 h ALA 102 CO 0.34 -0.19 0.00 0.07 0.00 0.00 0.00 179.25 179.48 2e83 h ARG 103 N 0.00 0.00 -4.84 0.00 0.11 -1.85 -3.37 114.38 104.43 2e83 h ARG 103 Ca 0.06 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.45 2e83 h ARG 103 Cb 0.30 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.20 2e83 h ARG 103 CO -0.00 0.00 0.33 -0.06 0.10 0.00 0.00 179.97 180.34 2e83 s PHE 104 N -3.45 3.01 0.03 4.08 0.40 -0.53 -4.90 117.98 116.62 2e83 s PHE 104 Ca 0.03 -1.03 0.32 0.00 -0.60 0.00 0.00 56.93 55.65 2e83 s PHE 104 Cb 0.09 -4.11 1.47 0.00 0.51 0.00 0.00 43.02 40.98 2e83 s PHE 104 CO 0.43 -1.38 1.96 0.87 0.70 0.00 0.00 175.22 177.79 2e83 h LYS 105 N 9.10 0.00 -0.01 0.44 6.56 -1.86 -2.18 116.57 128.63 2e83 h LYS 105 Ca -0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 2e83 h LYS 105 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2e83 h LYS 105 CO 1.09 0.00 -0.21 -2.67 -2.06 0.00 0.00 179.45 175.60 2e83 n TRP 106 N -2.76 0.00 -2.41 -1.35 4.27 -1.26 -4.95 117.44 108.98 2e83 n TRP 106 Ca -0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 2e83 n TRP 106 Cb 0.20 -0.11 -0.04 0.00 -1.36 0.00 0.00 31.31 30.00 2e83 n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2e83 s ALA 107 N -2.43 3.32 -0.44 -1.67 0.00 -0.82 -4.67 121.76 115.04 2e83 s ALA 107 Ca 0.27 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.28 2e83 s ALA 107 Cb 0.20 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.80 2e83 s ALA 107 CO 0.49 -0.29 0.48 2.89 0.00 0.00 0.00 175.76 179.33 2e83 n ARG 108 N 0.73 1.93 -3.71 0.00 1.85 0.14 -4.99 116.66 112.60 2e83 n ARG 108 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 57.85 56.76 2e83 n ARG 108 Cb 0.46 -1.19 -0.02 0.00 -1.05 0.00 0.00 32.46 30.66 2e83 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2e83 s ALA 109 N -2.47 -1.58 -0.15 2.89 0.00 -1.16 -4.84 121.76 114.45 2e83 s ALA 109 Ca 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2e83 s ALA 109 Cb 0.10 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2e83 s ALA 109 CO 0.55 -0.97 -0.09 0.00 0.00 0.00 0.00 175.76 175.26 2e83 s ALA 110 N -3.44 2.78 -0.33 0.00 0.00 0.31 -1.02 121.76 120.07 2e83 s ALA 110 Ca 0.10 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 2e83 s ALA 110 Cb -0.02 -1.39 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 2e83 s ALA 110 CO 0.00 0.16 0.64 -1.17 0.00 0.00 0.00 175.76 175.39 2e83 s LEU 111 N 0.48 4.19 -0.30 0.00 2.96 -0.10 -0.60 118.68 125.31 2e83 s LEU 111 Ca -0.07 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2e83 s LEU 111 Cb -0.15 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.73 2e83 s LEU 111 CO 0.04 -0.53 0.10 -0.69 -1.32 0.00 0.00 176.35 173.94 2e83 s VAL 112 N 2.66 4.13 -0.26 1.68 1.01 0.48 -1.18 120.40 128.92 2e83 s VAL 112 Ca 0.25 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2e83 s VAL 112 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2e83 s VAL 112 CO 0.13 0.08 0.06 -0.63 0.00 0.00 0.00 175.10 174.74 2e83 s ILE 113 N 1.53 4.08 -0.34 2.22 1.01 0.55 -1.24 121.20 129.01 2e83 s ILE 113 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 2e83 s ILE 113 Cb -0.17 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 2e83 s ILE 113 CO 0.03 0.26 0.48 -0.89 0.00 0.00 0.00 174.94 174.82 2e83 s THR 114 N 1.56 5.05 -0.02 2.92 2.01 0.17 -0.58 115.64 126.74 2e83 s THR 114 Ca 0.05 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2e83 s THR 114 Cb -0.16 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2e83 s THR 114 CO 0.02 -0.17 1.04 -0.69 -0.69 0.00 0.00 174.62 174.14 2e83 s VAL 115 N 2.31 4.65 -0.19 3.82 1.01 0.54 -1.69 120.40 130.86 2e83 s VAL 115 Ca 0.17 1.91 0.18 0.00 0.00 0.00 0.00 61.98 64.25 2e83 s VAL 115 Cb -0.16 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 2e83 s VAL 115 CO 0.13 0.10 0.10 0.52 0.00 0.00 0.00 175.10 175.94 2e83 n VAL 116 N 4.13 1.30 -3.62 2.92 0.31 0.78 -4.94 118.33 119.21 2e83 n VAL 116 Ca 0.08 -0.84 -0.16 0.00 -0.01 0.00 0.00 64.34 63.41 2e83 n VAL 116 Cb 0.49 -0.43 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 2e83 n VAL 116 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2e83 s SER 117 N -5.42 -0.44 -0.07 4.52 1.04 -0.96 -5.01 113.70 107.36 2e83 s SER 117 Ca -0.10 0.40 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 2e83 s SER 117 Cb 0.07 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2e83 s SER 117 CO 0.83 -0.55 -0.02 0.00 0.98 0.00 0.00 173.24 174.48 2e83 s ALA 118 N -1.37 0.75 -0.18 5.32 0.00 -1.26 -1.49 121.76 123.53 2e83 s ALA 118 Ca -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2e83 s ALA 118 Cb -0.02 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2e83 s ALA 118 CO 0.07 -0.30 -0.17 -2.00 0.00 0.00 0.00 175.76 173.36 2e83 s GLU 119 N 1.57 2.63 -0.33 0.00 2.12 -0.16 -4.99 118.70 119.55 2e83 s GLU 119 Ca -0.01 -0.78 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 2e83 s GLU 119 Cb -0.13 -2.43 0.01 0.00 0.26 0.00 0.00 34.13 31.84 2e83 s GLU 119 CO -0.04 -0.26 1.19 -1.14 -0.54 0.00 0.00 175.26 174.47 2e83 s GLN 120 N 1.35 3.96 0.00 4.30 0.74 -1.26 -0.69 119.66 128.06 2e83 s GLN 120 Ca 0.04 1.10 0.23 0.00 0.05 0.00 0.00 55.36 56.78 2e83 s GLN 120 Cb -0.14 -3.82 0.64 0.00 1.10 0.00 0.00 33.01 30.79 2e83 s GLN 120 CO -0.11 -1.06 1.54 0.25 -0.55 0.00 0.00 175.29 175.35 2e83 n THR 121 N 6.14 0.95 -1.64 -0.34 -2.24 -0.58 -4.98 114.28 111.58 2e83 n THR 121 Ca 0.13 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2e83 n THR 121 Cb 0.47 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2e83 n THR 121 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39