#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e83 s LEU 2 N 0.00 4.08 0.61 -0.89 1.43 -1.26 -4.38 118.68 118.27 2e83 s LEU 2 Ca 0.00 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 2e83 s LEU 2 Cb 0.00 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2e83 s LEU 2 CO 0.00 -0.02 0.99 -2.16 0.23 0.00 0.00 176.35 175.39 2e83 s PRO 3 N 1.43 3.47 0.34 1.29 0.04 -1.26 -4.97 135.00 135.33 2e83 s PRO 3 Ca 0.10 0.59 0.09 0.00 0.04 0.00 0.00 61.00 61.81 2e83 s PRO 3 Cb -0.15 -2.13 0.81 0.00 0.04 0.00 0.00 34.50 33.07 2e83 s PRO 3 CO 0.08 -0.57 1.82 0.78 0.04 0.00 0.00 177.00 179.14 2e83 h GLY 4 N -0.26 1.47 1.57 0.56 0.00 -2.00 -0.48 103.07 103.93 2e83 h GLY 4 Ca -0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2e83 h GLY 4 CO 0.62 0.01 0.20 -0.84 0.00 0.00 0.00 176.54 176.53 2e83 h THR 5 N 0.70 1.14 -0.63 4.70 2.02 -1.99 -0.73 112.91 118.12 2e83 h THR 5 Ca 0.52 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 2e83 h THR 5 Cb 0.88 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2e83 h THR 5 CO -0.29 0.16 0.33 0.15 0.37 0.00 0.00 175.52 176.23 2e83 h PHE 6 N 0.57 0.89 -0.08 3.16 3.04 -1.46 -1.92 116.94 121.15 2e83 h PHE 6 Ca 0.14 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 2e83 h PHE 6 Cb 0.06 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2e83 h PHE 6 CO 0.00 0.66 -0.31 0.74 -2.02 0.00 0.00 178.31 177.38 2e83 h PHE 7 N 0.87 0.16 -0.71 0.41 0.04 -1.05 -2.11 116.94 114.54 2e83 h PHE 7 Ca 0.22 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 2e83 h PHE 7 Cb 0.08 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2e83 h PHE 7 CO -0.00 0.44 0.24 0.93 -0.60 0.00 0.00 178.31 179.32 2e83 h GLU 8 N 0.13 1.09 -0.96 1.51 4.39 -0.84 -2.51 114.58 117.39 2e83 h GLU 8 Ca 0.02 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.54 2e83 h GLU 8 Cb 0.62 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 2e83 h GLU 8 CO 0.05 0.93 0.62 0.28 -1.16 0.00 0.00 179.01 179.72 2e83 h VAL 9 N 1.04 1.15 0.00 3.13 2.07 -0.71 -1.98 116.25 120.94 2e83 h VAL 9 Ca 0.23 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2e83 h VAL 9 Cb 0.27 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2e83 h VAL 9 CO -0.01 0.22 0.00 -0.07 0.02 0.00 0.00 177.57 177.73 2e83 h LEU 10 N 1.19 0.00 0.00 2.57 3.38 -0.99 -1.05 115.31 120.41 2e83 h LEU 10 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2e83 h LEU 10 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2e83 h LEU 10 CO -0.13 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.69 2e83 n LYS 11 N -2.54 0.07 -4.38 1.13 5.02 -0.74 -4.59 118.16 112.12 2e83 n LYS 11 Ca 0.00 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 56.08 2e83 n LYS 11 Cb 0.19 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.92 3.60 0.50 4.39 0.01 -0.40 -5.10 114.94 115.01 2e83 s ASN 12 Ca 0.14 -0.76 -0.14 0.00 -0.71 0.00 0.00 52.86 51.40 2e83 s ASN 12 Cb 0.17 -0.36 -0.07 0.00 0.41 0.00 0.00 41.25 41.40 2e83 s ASN 12 CO 0.45 0.14 0.92 -0.70 -1.51 0.00 0.00 177.10 176.40 2e83 s GLU 13 N -2.50 3.85 0.00 -0.60 2.56 -1.26 -4.62 118.70 116.12 2e83 s GLU 13 Ca 0.20 0.77 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2e83 s GLU 13 Cb -0.09 -2.21 0.00 0.00 2.00 0.00 0.00 34.13 33.83 2e83 s GLU 13 CO 0.10 -0.24 0.00 0.41 -0.56 0.00 0.00 175.26 174.97 2e83 n GLY 14 N -1.66 -0.63 3.44 -1.50 0.00 -1.26 -4.91 105.19 98.66 2e83 n GLY 14 Ca 0.05 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 2e83 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e83 s VAL 15 N -2.00 4.30 0.12 1.61 1.01 -1.26 -0.84 120.40 123.33 2e83 s VAL 15 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2e83 s VAL 15 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 2e83 s VAL 15 CO 0.00 0.30 0.60 -0.69 0.00 0.00 0.00 175.10 175.31 2e83 s VAL 16 N 1.61 4.73 -0.06 2.92 1.01 0.11 -4.68 120.40 126.04 2e83 s VAL 16 Ca 0.06 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.25 2e83 s VAL 16 Cb -0.15 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2e83 s VAL 16 CO 0.04 0.43 -0.24 0.00 0.00 0.00 0.00 175.10 175.32 2e83 s ALA 17 N -1.26 2.11 -0.17 5.51 0.00 -0.44 -2.04 121.76 125.47 2e83 s ALA 17 Ca 0.34 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2e83 s ALA 17 Cb -0.18 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.30 2e83 s ALA 17 CO 0.20 0.39 -0.13 0.42 0.00 0.00 0.00 175.76 176.64 2e83 s ILE 18 N -0.10 1.64 -0.14 0.00 1.01 0.61 -1.39 121.20 122.82 2e83 s ILE 18 Ca -0.05 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 2e83 s ILE 18 Cb -0.14 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2e83 s ILE 18 CO 0.04 0.35 0.10 0.00 0.00 0.00 0.00 174.94 175.43 2e83 s ALA 19 N 1.43 3.66 0.25 9.38 0.00 0.82 -1.65 121.76 135.65 2e83 s ALA 19 Ca 0.02 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.35 2e83 s ALA 19 Cb -0.14 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 2e83 s ALA 19 CO -0.10 0.44 -0.06 0.95 0.00 0.00 0.00 175.76 177.00 2e83 s THR 20 N -0.48 1.49 -0.28 0.00 -4.23 -0.43 -1.92 115.64 109.80 2e83 s THR 20 Ca 0.11 -2.11 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 2e83 s THR 20 Cb -0.12 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 2e83 s THR 20 CO 0.02 -0.37 0.74 -1.58 -0.54 0.00 0.00 174.62 172.88 2e83 s GLN 21 N -3.75 4.05 0.59 3.99 2.00 -1.26 -0.89 119.66 124.39 2e83 s GLN 21 Ca 0.27 0.63 0.05 0.00 -2.00 0.00 0.00 55.36 54.31 2e83 s GLN 21 Cb 0.03 -3.69 0.11 0.00 0.80 0.00 0.00 33.01 30.26 2e83 s GLN 21 CO 0.10 -0.56 0.81 0.41 -0.50 0.00 0.00 175.29 175.55 2e83 n GLY 22 N 4.11 1.39 0.25 2.59 0.00 0.42 -4.70 105.19 109.25 2e83 n GLY 22 Ca 0.03 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 0.76 -0.22 1.61 5.08 -1.97 -3.29 114.58 116.55 2e83 h GLU 23 Ca -0.27 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 2e83 h GLU 23 Cb 1.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2e83 h GLU 23 CO 0.34 1.01 0.00 -0.25 -1.00 0.00 0.00 179.01 179.11 2e83 n ASP 24 N -4.05 2.68 0.00 1.42 10.43 -1.26 -5.07 116.55 120.70 2e83 n ASP 24 Ca -0.02 -2.09 0.00 0.00 2.57 0.00 0.00 54.79 55.25 2e83 n ASP 24 Cb 0.53 -0.18 0.00 0.00 1.84 0.00 0.00 41.12 43.30 2e83 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2e83 n GLY 25 N 0.08 -0.68 3.77 0.44 0.00 -1.24 -5.13 105.19 102.42 2e83 n GLY 25 Ca 0.09 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.73 2.16 0.21 1.61 0.04 -1.26 -0.43 135.00 135.59 2e83 s PRO 26 Ca 0.00 1.09 0.09 0.00 0.04 0.00 0.00 61.00 62.22 2e83 s PRO 26 Cb 0.00 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2e83 s PRO 26 CO 0.00 -1.69 -0.17 -1.58 0.04 0.00 0.00 177.00 173.60 2e83 s HIS 27 N -2.93 1.90 -0.13 0.56 2.46 -0.07 -4.66 115.29 112.42 2e83 s HIS 27 Ca 0.61 -0.48 -0.06 0.00 0.47 0.00 0.00 55.06 55.61 2e83 s HIS 27 Cb -0.17 -0.89 0.06 0.00 -0.13 0.00 0.00 32.58 31.45 2e83 s HIS 27 CO 0.56 0.43 0.29 -1.17 -2.47 0.00 0.00 174.74 172.38 2e83 s LEU 28 N -3.09 -0.03 0.34 8.88 2.96 -1.26 -1.31 118.68 125.16 2e83 s LEU 28 Ca 0.21 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 2e83 s LEU 28 Cb -0.04 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.48 2e83 s LEU 28 CO 0.09 -0.20 0.15 0.68 -1.32 0.00 0.00 176.35 175.74 2e83 s VAL 29 N 1.85 0.45 0.14 1.68 -7.23 -0.66 -4.96 120.40 111.67 2e83 s VAL 29 Ca -0.05 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2e83 s VAL 29 Cb -0.11 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2e83 s VAL 29 CO -0.10 0.00 -0.13 0.20 -0.31 0.00 0.00 175.10 174.77 2e83 s ASN 30 N -3.45 1.98 0.14 4.85 -0.87 -1.26 -0.29 114.94 116.04 2e83 s ASN 30 Ca 0.33 -0.88 -0.04 0.00 -1.57 0.00 0.00 52.86 50.69 2e83 s ASN 30 Cb 0.04 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.19 2e83 s ASN 30 CO 0.17 -0.20 0.15 0.68 -2.57 0.00 0.00 177.10 175.33 2e83 s VAL 31 N -2.54 0.09 0.30 1.60 -7.23 -0.86 -4.98 120.40 106.77 2e83 s VAL 31 Ca 0.12 -1.69 -0.23 0.00 -1.81 0.00 0.00 61.98 58.38 2e83 s VAL 31 Cb -0.02 -1.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 2e83 s VAL 31 CO 0.03 -0.42 0.85 0.26 -0.31 0.00 0.00 175.10 175.51 2e83 s TRP 32 N -4.01 3.62 0.29 2.82 0.52 -1.26 0.08 118.94 120.99 2e83 s TRP 32 Ca 0.20 1.59 0.02 0.00 0.02 0.00 0.00 56.10 57.93 2e83 s TRP 32 Cb 0.06 -2.78 0.71 0.00 -1.15 0.00 0.00 33.47 30.30 2e83 s TRP 32 CO 0.00 0.21 1.64 -0.91 0.02 0.00 0.00 176.95 177.92 2e83 h ASN 33 N 3.06 -0.02 0.61 2.95 4.21 -1.29 -0.85 115.58 124.25 2e83 h ASN 33 Ca -0.47 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2e83 h ASN 33 Cb 1.19 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 38.66 2e83 h ASN 33 CO 0.65 -0.16 0.00 -1.54 -1.29 0.00 0.00 177.43 175.08 2e83 n SER 34 N -5.24 0.00 0.13 5.81 3.41 -1.26 -2.59 113.62 113.87 2e83 n SER 34 Ca 0.21 0.45 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 2e83 n SER 34 Cb 0.68 -0.48 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.99 7.33 0.99 -1.53 -3.46 116.97 117.30 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 0.30 0.00 0.03 0.00 1.00 0.00 0.00 36.73 38.07 2e83 h TYR 35 CO 0.00 0.18 0.78 -0.51 -0.00 0.00 0.00 178.16 178.61 2e83 s LEU 36 N -5.83 4.37 -0.23 3.88 1.02 -1.07 -4.60 118.68 116.23 2e83 s LEU 36 Ca 0.02 2.46 0.00 0.00 0.02 0.00 0.00 54.13 56.63 2e83 s LEU 36 Cb 0.08 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.73 2e83 s LEU 36 CO 0.76 -0.71 -0.11 -0.75 0.02 0.00 0.00 176.35 175.55 2e83 s LYS 37 N 0.94 2.77 -0.19 1.70 2.47 -0.28 -4.97 119.74 122.19 2e83 s LYS 37 Ca 0.66 -1.00 -0.13 0.00 -1.56 0.00 0.00 55.97 53.94 2e83 s LYS 37 Cb -0.40 -2.84 -0.05 0.00 -1.46 0.00 0.00 37.83 33.08 2e83 s LYS 37 CO 0.32 -0.37 0.27 0.08 0.16 0.00 0.00 175.35 175.81 2e83 s VAL 38 N 1.27 5.31 0.32 4.02 1.01 -1.26 -0.48 120.40 130.59 2e83 s VAL 38 Ca -0.00 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.53 2e83 s VAL 38 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2e83 s VAL 38 CO -0.07 0.36 0.19 -0.76 0.00 0.00 0.00 175.10 174.82 2e83 s LEU 39 N 0.73 3.45 0.60 3.92 1.43 0.09 -5.01 118.68 123.89 2e83 s LEU 39 Ca 0.14 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 2e83 s LEU 39 Cb -0.13 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2e83 s LEU 39 CO 0.04 -0.26 0.90 0.47 0.23 0.00 0.00 176.35 177.73 2e83 n ASP 40 N -1.22 0.50 -0.00 2.29 10.43 -1.26 -3.25 116.55 124.04 2e83 n ASP 40 Ca -0.03 0.79 0.00 0.00 2.57 0.00 0.00 54.79 58.11 2e83 n ASP 40 Cb 0.60 -1.36 0.00 0.00 1.84 0.00 0.00 41.12 42.20 2e83 n ASP 40 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2e83 n GLY 41 N 1.36 0.56 2.97 0.44 0.00 -1.26 -4.16 105.19 105.10 2e83 n GLY 41 Ca 0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 1.76 -5.53 -4.52 1.61 3.02 -1.23 -4.81 115.26 105.56 2e83 n ASN 42 Ca 0.00 -0.31 -0.34 0.00 -0.03 0.00 0.00 54.58 53.90 2e83 n ASN 42 Cb 0.44 -4.29 -0.12 0.00 -0.61 0.00 0.00 39.78 35.20 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 -5.71 3.59 -0.19 3.52 0.52 -1.20 -0.47 118.95 119.01 2e83 s ARG 43 Ca 0.34 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.00 2e83 s ARG 43 Cb -0.15 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 2e83 s ARG 43 CO 0.42 0.30 -0.03 0.42 0.02 0.00 0.00 175.30 176.43 2e83 s ILE 44 N 0.21 3.73 -0.10 1.52 1.01 0.17 -0.73 121.20 127.00 2e83 s ILE 44 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2e83 s ILE 44 Cb -0.14 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 2e83 s ILE 44 CO 0.03 0.45 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 2e83 s VAL 45 N 0.93 3.20 0.04 2.92 1.01 0.37 -0.40 120.40 128.47 2e83 s VAL 45 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2e83 s VAL 45 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2e83 s VAL 45 CO 0.01 0.55 -0.17 0.68 0.00 0.00 0.00 175.10 176.17 2e83 s VAL 46 N -0.09 1.36 0.12 2.92 -7.23 -0.40 -1.12 120.40 115.96 2e83 s VAL 46 Ca -0.01 -1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 2e83 s VAL 46 Cb -0.14 -1.21 -0.07 0.00 0.56 0.00 0.00 36.38 35.52 2e83 s VAL 46 CO 0.03 0.08 1.27 -2.16 -0.31 0.00 0.00 175.10 174.01 2e83 s PRO 47 N -1.20 4.41 -0.30 4.82 0.04 -1.26 -1.25 135.00 140.26 2e83 s PRO 47 Ca 0.04 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 2e83 s PRO 47 Cb -0.08 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2e83 s PRO 47 CO 0.02 -0.27 0.09 0.08 0.04 0.00 0.00 177.00 176.96 2e83 s VAL 48 N 0.70 4.11 -0.23 -0.36 1.01 -0.18 -4.89 120.40 120.56 2e83 s VAL 48 Ca 0.59 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2e83 s VAL 48 Cb -0.33 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 2e83 s VAL 48 CO 0.32 0.09 -0.28 0.61 0.00 0.00 0.00 175.10 175.84 2e83 n GLY 49 N 4.89 -0.57 0.00 4.51 0.00 -1.26 0.09 105.19 112.85 2e83 n GLY 49 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.37 0.07 3.98 -0.02 0.00 -1.26 -4.65 105.19 104.68 2e83 n GLY 50 Ca -0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.72 0.07 1.61 2.00 -1.26 -4.89 117.12 109.93 2e83 n MET 51 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 57.70 58.02 2e83 n MET 51 Cb 0.00 -5.30 -0.13 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 -1.90 0.87 -0.46 2.03 3.86 -1.99 -0.66 115.15 116.90 2e83 h HIS 52 Ca -0.59 -0.54 -0.13 0.00 -1.16 0.00 0.00 60.37 57.94 2e83 h HIS 52 Cb 1.38 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 2e83 h HIS 52 CO 0.57 1.39 -0.23 -0.22 0.86 0.00 0.00 177.93 180.30 2e83 h LYS 53 N 0.11 0.97 -0.62 2.45 3.64 -2.00 -2.47 116.57 118.64 2e83 h LYS 53 Ca -0.16 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2e83 h LYS 53 Cb 1.75 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.52 2e83 h LYS 53 CO 0.20 1.10 0.37 1.15 -2.27 0.00 0.00 179.45 180.00 2e83 h THR 54 N 0.81 1.18 -0.65 1.00 2.02 -1.95 -1.47 112.91 113.86 2e83 h THR 54 Ca 0.10 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 2e83 h THR 54 Cb 0.81 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2e83 h THR 54 CO 0.07 0.19 0.13 -0.08 0.37 0.00 0.00 175.52 176.20 2e83 h GLU 55 N 0.85 1.07 -0.82 6.66 4.81 -1.03 -0.62 114.58 125.49 2e83 h GLU 55 Ca 0.22 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2e83 h GLU 55 Cb -0.01 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 2e83 h GLU 55 CO -0.04 0.97 0.39 0.00 -0.73 0.00 0.00 179.01 179.61 2e83 h ALA 56 N 1.05 1.15 -0.38 2.92 0.00 -1.19 -0.70 119.26 122.11 2e83 h ALA 56 Ca 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2e83 h ALA 56 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2e83 h ALA 56 CO 0.01 0.65 0.06 -0.91 0.00 0.00 0.00 179.25 179.05 2e83 h ASN 57 N 1.17 0.61 -0.16 0.00 2.35 -0.88 -2.91 115.58 115.75 2e83 h ASN 57 Ca 0.28 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2e83 h ASN 57 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2e83 h ASN 57 CO -0.04 0.72 -0.00 0.58 -1.65 0.00 0.00 177.43 177.04 2e83 h VAL 58 N 0.48 1.16 -0.05 2.81 2.07 -0.78 0.52 116.25 122.46 2e83 h VAL 58 Ca 0.12 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2e83 h VAL 58 Cb 0.37 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2e83 h VAL 58 CO 0.01 0.22 0.04 0.00 0.02 0.00 0.00 177.57 177.86 2e83 h ALA 59 N 1.63 1.93 0.00 1.67 0.00 -0.93 -3.02 119.26 120.54 2e83 h ALA 59 Ca 0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2e83 h ALA 59 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2e83 h ALA 59 CO 0.01 -0.07 -1.83 0.54 0.00 0.00 0.00 179.25 177.89 2e83 n ARG 60 N -4.34 0.89 -3.43 0.00 1.74 -0.69 -4.87 116.66 105.95 2e83 n ARG 60 Ca -0.02 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 2e83 n ARG 60 Cb 0.14 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 2e83 n ARG 60 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2e83 s ASP 61 N -4.20 0.62 0.00 0.55 3.68 0.09 -5.04 116.67 112.38 2e83 s ASP 61 Ca -0.06 0.13 0.28 0.00 2.13 0.00 0.00 52.55 55.03 2e83 s ASP 61 Cb 0.08 0.84 1.31 0.00 -1.45 0.00 0.00 42.92 43.70 2e83 s ASP 61 CO 0.64 -0.30 1.94 -1.84 0.13 0.00 0.00 175.17 175.74 2e83 n GLU 62 N 5.35 0.19 -2.68 4.34 0.00 -1.19 -3.93 120.64 122.72 2e83 n GLU 62 Ca -0.05 0.02 -0.43 0.00 0.00 0.00 0.00 57.16 56.71 2e83 n GLU 62 Cb 0.50 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.41 2e83 n GLU 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2e83 s ARG 63 N -2.80 4.38 0.21 3.44 0.52 -1.26 -0.05 118.95 123.39 2e83 s ARG 63 Ca 0.20 1.39 0.08 0.00 -0.52 0.00 0.00 55.73 56.87 2e83 s ARG 63 Cb 0.19 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 2e83 s ARG 63 CO 0.48 -0.41 -0.13 0.14 0.02 0.00 0.00 175.30 175.39 2e83 s VAL 64 N 2.36 1.73 0.04 3.52 -7.23 -0.34 -4.54 120.40 115.93 2e83 s VAL 64 Ca 0.47 -2.20 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2e83 s VAL 64 Cb -0.17 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 2e83 s VAL 64 CO 0.15 -0.56 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.38 2e83 s LEU 65 N -3.33 2.33 -0.03 1.32 1.02 -0.81 -2.46 118.68 116.71 2e83 s LEU 65 Ca 0.23 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.89 2e83 s LEU 65 Cb -0.00 -1.38 0.01 0.00 0.02 0.00 0.00 46.19 44.84 2e83 s LEU 65 CO 0.07 0.27 -0.06 -0.32 0.02 0.00 0.00 176.35 176.33 2e83 s MET 66 N -1.24 0.76 0.14 1.70 -2.45 0.26 -0.13 119.30 118.35 2e83 s MET 66 Ca 0.13 -0.18 0.10 0.00 -1.25 0.00 0.00 55.69 54.48 2e83 s MET 66 Cb -0.10 -0.75 -0.04 0.00 1.25 0.00 0.00 34.83 35.19 2e83 s MET 66 CO 0.03 0.02 -0.23 0.95 1.05 0.00 0.00 175.02 176.84 2e83 s THR 67 N 0.46 1.99 0.11 10.11 -4.23 -0.49 0.15 115.64 123.74 2e83 s THR 67 Ca -0.06 -1.76 -0.25 0.00 -1.18 0.00 0.00 61.69 58.44 2e83 s THR 67 Cb -0.10 -1.83 0.08 0.00 1.34 0.00 0.00 72.50 71.99 2e83 s THR 67 CO 0.00 -0.08 0.76 -1.48 -0.54 0.00 0.00 174.62 173.28 2e83 s LEU 68 N -2.23 -0.43 0.00 4.79 2.34 -1.11 -1.33 118.68 120.72 2e83 s LEU 68 Ca 0.13 -0.09 -0.08 0.00 0.06 0.00 0.00 54.13 54.15 2e83 s LEU 68 Cb -0.09 2.35 0.03 0.00 -0.56 0.00 0.00 46.19 47.91 2e83 s LEU 68 CO 0.06 -0.86 0.36 0.61 -1.06 0.00 0.00 176.35 175.46 2e83 n GLY 69 N -0.34 0.89 3.64 -3.48 0.00 -1.26 -0.75 105.19 103.89 2e83 n GLY 69 Ca -0.12 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.82 -0.71 0.47 1.61 0.15 -0.46 -4.77 113.70 108.17 2e83 s SER 70 Ca 0.08 1.28 0.32 0.00 0.70 0.00 0.00 55.95 58.33 2e83 s SER 70 Cb -0.01 1.30 1.53 0.00 -1.71 0.00 0.00 66.02 67.13 2e83 s SER 70 CO 0.01 -0.21 1.96 0.03 1.20 0.00 0.00 173.24 176.23 2e83 h ARG 71 N 5.36 0.00 -0.02 5.44 2.47 -1.93 -2.19 114.38 123.52 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 0.10 0.00 -0.12 1.63 0.56 0.00 0.00 179.97 182.14 2e83 n LYS 72 N -2.72 1.49 -5.00 0.04 5.02 -1.26 -3.27 118.16 112.46 2e83 n LYS 72 Ca -0.00 -0.99 -0.32 0.00 -2.02 0.00 0.00 58.31 54.97 2e83 n LYS 72 Cb 0.17 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.19 2.56 0.18 -0.18 1.01 -1.19 -4.91 120.40 115.69 2e83 s VAL 73 Ca 0.31 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 2e83 s VAL 73 Cb 0.20 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 2e83 s VAL 73 CO 0.40 0.54 1.36 0.00 0.00 0.00 0.00 175.10 177.41 2e83 s ALA 74 N 0.29 3.57 0.46 5.51 0.00 -1.26 -0.74 121.76 129.58 2e83 s ALA 74 Ca -0.14 1.15 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2e83 s ALA 74 Cb -0.17 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2e83 s ALA 74 CO 0.07 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2e83 n GLY 75 N 2.67 0.67 0.12 0.00 0.00 0.17 -4.70 105.19 104.12 2e83 n GLY 75 Ca 0.08 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 1.61 3.08 -1.84 -3.36 114.38 113.87 2e83 h ARG 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2e83 h ARG 76 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2e83 h ARG 76 CO 0.00 0.67 -0.22 0.09 -1.07 0.00 0.00 179.97 179.43 2e83 n ASN 77 N -3.51 1.02 0.00 7.04 4.13 -1.26 -5.10 115.26 117.57 2e83 n ASN 77 Ca -0.00 -2.28 0.00 0.00 1.68 0.00 0.00 54.58 53.98 2e83 n ASN 77 Cb 0.71 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 2e83 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e83 n GLY 78 N -0.56 -2.23 3.76 7.41 0.00 -1.26 -5.12 105.19 107.19 2e83 n GLY 78 Ca 0.06 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.89 4.52 0.00 1.61 0.04 -1.26 -0.66 135.00 137.37 2e83 s PRO 79 Ca 0.00 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2e83 s PRO 79 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2e83 s PRO 79 CO 0.00 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2e83 n GLY 80 N 1.28 2.14 3.70 0.56 0.00 0.08 -4.67 105.19 108.28 2e83 n GLY 80 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.41 0.00 0.09 2.61 -1.32 -0.83 -2.27 115.64 113.51 2e83 s THR 81 Ca 0.00 -1.21 -0.25 0.00 -1.21 0.00 0.00 61.69 59.02 2e83 s THR 81 Cb 0.00 -2.58 0.09 0.00 -1.51 0.00 0.00 72.50 68.50 2e83 s THR 81 CO 0.00 0.00 1.16 -0.83 -2.21 0.00 0.00 174.62 172.74 2e83 s GLY 82 N -3.08 -0.03 0.02 6.08 0.00 -1.26 -1.35 107.32 107.70 2e83 s GLY 82 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.82 2e83 s GLY 82 CO 0.13 3.62 -0.05 -1.36 0.00 0.00 0.00 173.10 175.44 2e83 s PHE 83 N -2.14 0.41 -0.26 1.90 0.40 0.07 -1.60 117.98 116.76 2e83 s PHE 83 Ca 0.24 -0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 56.21 2e83 s PHE 83 Cb -0.01 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.22 2e83 s PHE 83 CO 0.02 -0.06 0.10 -1.17 0.70 0.00 0.00 175.22 174.81 2e83 s LEU 84 N -0.79 3.59 -0.11 -0.37 2.96 0.01 -2.75 118.68 121.22 2e83 s LEU 84 Ca -0.05 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2e83 s LEU 84 Cb -0.06 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2e83 s LEU 84 CO -0.00 -0.04 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.27 2e83 s ILE 85 N 1.64 3.44 -0.04 6.68 1.01 0.12 -0.97 121.20 133.08 2e83 s ILE 85 Ca 0.07 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.22 2e83 s ILE 85 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2e83 s ILE 85 CO 0.05 0.54 -0.18 -0.13 0.00 0.00 0.00 174.94 175.23 2e83 s ARG 86 N -0.08 2.40 0.16 2.79 0.52 -0.47 -0.57 118.95 123.69 2e83 s ARG 86 Ca -0.00 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.21 2e83 s ARG 86 Cb -0.13 -2.28 0.08 0.00 0.52 0.00 0.00 34.95 33.13 2e83 s ARG 86 CO 0.03 0.60 1.05 0.20 0.02 0.00 0.00 175.30 177.21 2e83 s GLY 87 N -0.68 0.00 -0.14 -3.53 0.00 -1.03 -0.15 107.32 101.80 2e83 s GLY 87 Ca 0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.59 2e83 s GLY 87 CO 0.00 2.02 0.11 -1.35 0.00 0.00 0.00 173.10 173.88 2e83 s SER 88 N -3.32 6.08 0.02 1.64 1.04 -0.61 -1.20 113.70 117.35 2e83 s SER 88 Ca 0.20 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.98 2e83 s SER 88 Cb -0.02 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 2e83 s SER 88 CO 0.04 0.33 0.01 0.00 0.98 0.00 0.00 173.24 174.60 2e83 s ALA 89 N -0.59 3.32 -0.00 5.32 0.00 0.93 -0.89 121.76 129.86 2e83 s ALA 89 Ca 0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 2e83 s ALA 89 Cb -0.12 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 2e83 s ALA 89 CO 0.02 0.67 0.07 0.00 0.00 0.00 0.00 175.76 176.52 2e83 s ALA 90 N -1.16 -0.16 -0.15 0.00 0.00 -0.25 -4.82 121.76 115.22 2e83 s ALA 90 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 2e83 s ALA 90 Cb -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2e83 s ALA 90 CO 0.13 -0.15 0.05 -0.06 0.00 0.00 0.00 175.76 175.73 2e83 s PHE 91 N -1.05 3.25 -0.00 0.00 0.40 -1.26 -0.23 117.98 119.09 2e83 s PHE 91 Ca -0.11 0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.39 2e83 s PHE 91 Cb -0.07 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2e83 s PHE 91 CO 0.00 0.27 -0.18 1.03 0.70 0.00 0.00 175.22 177.04 2e83 s ARG 92 N -0.04 1.41 0.00 0.44 1.81 -0.09 -4.96 118.95 117.51 2e83 s ARG 92 Ca 0.06 -0.69 0.06 0.00 -1.72 0.00 0.00 55.73 53.44 2e83 s ARG 92 Cb -0.12 -1.39 0.00 0.00 -0.45 0.00 0.00 34.95 33.00 2e83 s ARG 92 CO 0.01 0.37 0.53 0.25 -0.68 0.00 0.00 175.30 175.78 2e83 n THR 93 N 2.48 0.00 -3.93 0.02 -2.24 -1.26 -0.13 114.28 109.21 2e83 n THR 93 Ca -0.15 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 2e83 n THR 93 Cb 0.54 1.08 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.98 0.47 0.00 3.42 1.47 -1.26 -4.97 116.67 114.83 2e83 s ASP 94 Ca 0.06 -1.35 0.00 0.00 1.18 0.00 0.00 52.55 52.44 2e83 s ASP 94 Cb 0.05 0.79 0.00 0.00 -0.34 0.00 0.00 42.92 43.42 2e83 s ASP 94 CO 0.15 -1.55 0.00 0.61 0.68 0.00 0.00 175.17 175.06 2e83 n GLY 95 N -0.56 0.13 0.30 2.12 0.00 -1.26 -4.18 105.19 101.74 2e83 n GLY 95 Ca -0.04 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.24 2e83 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e83 h PRO 96 N 0.00 0.13 -0.24 1.61 0.13 -2.01 -1.40 132.00 130.21 2e83 h PRO 96 Ca 0.00 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 2e83 h PRO 96 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2e83 h PRO 96 CO 0.00 0.08 -0.63 0.93 -0.23 0.00 0.00 178.00 178.15 2e83 h GLU 97 N 0.13 0.85 -0.40 0.86 5.08 -2.00 -1.76 114.58 117.34 2e83 h GLU 97 Ca 0.09 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2e83 h GLU 97 Cb 0.20 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2e83 h GLU 97 CO -0.01 1.22 0.14 0.35 -1.00 0.00 0.00 179.01 179.71 2e83 h PHE 98 N 0.62 0.62 0.00 4.33 3.57 -1.64 -2.98 116.94 121.46 2e83 h PHE 98 Ca -0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2e83 h PHE 98 Cb 1.25 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 2e83 h PHE 98 CO 0.08 0.57 -0.06 0.93 -2.23 0.00 0.00 178.31 177.59 2e83 h GLU 99 N 0.49 0.00 0.00 1.11 4.39 -1.11 -1.03 114.58 118.44 2e83 h GLU 99 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2e83 h GLU 99 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2e83 h GLU 99 CO -0.01 0.06 -0.01 0.00 -1.16 0.00 0.00 179.01 177.90 2e83 h ALA 100 N 1.94 1.68 0.00 3.43 0.00 -1.16 -2.85 119.26 122.30 2e83 h ALA 100 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2e83 h ALA 100 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2e83 h ALA 100 CO 0.01 0.01 0.00 0.44 0.00 0.00 0.00 179.25 179.71 2e83 n ILE 101 N -4.08 0.79 0.27 0.00 -6.64 -0.46 -4.74 119.36 104.50 2e83 n ILE 101 Ca -0.03 -0.88 0.14 0.00 -1.77 0.00 0.00 62.75 60.21 2e83 n ILE 101 Cb 0.09 0.61 0.70 0.00 -1.44 0.00 0.00 39.64 39.60 2e83 n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2e83 h ALA 102 N 0.00 1.00 0.00 -1.28 0.00 -1.12 -1.55 119.26 116.31 2e83 h ALA 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2e83 h ALA 102 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2e83 h ALA 102 CO 0.00 0.00 -0.03 0.07 0.00 0.00 0.00 179.25 179.29 2e83 h ARG 103 N 0.00 0.00 -6.36 0.00 0.11 -1.85 -3.34 114.38 102.95 2e83 h ARG 103 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 2e83 h ARG 103 Cb 0.16 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.15 2e83 h ARG 103 CO 0.00 0.03 0.97 -0.06 0.10 0.00 0.00 179.97 181.01 2e83 s PHE 104 N -4.40 2.45 -0.58 4.08 0.40 -0.58 -4.88 117.98 114.47 2e83 s PHE 104 Ca -0.04 0.09 0.25 0.00 -0.60 0.00 0.00 56.93 56.62 2e83 s PHE 104 Cb 0.14 -4.54 0.92 0.00 0.51 0.00 0.00 43.02 40.05 2e83 s PHE 104 CO 0.53 -1.84 1.74 1.63 0.70 0.00 0.00 175.22 177.98 2e83 n LYS 105 N 8.84 0.22 0.00 0.44 4.76 -1.25 -1.43 118.16 129.74 2e83 n LYS 105 Ca 0.04 0.34 0.14 0.00 -2.87 0.00 0.00 58.31 55.97 2e83 n LYS 105 Cb 0.49 -1.84 0.63 0.00 -1.84 0.00 0.00 35.03 32.46 2e83 n LYS 105 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 2e83 n TRP 106 N -2.24 0.00 -2.51 2.13 4.27 -1.26 -4.84 117.44 112.99 2e83 n TRP 106 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 2e83 n TRP 106 Cb 0.30 -0.34 -0.02 0.00 -1.36 0.00 0.00 31.31 29.89 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 -2.75 3.53 -0.51 -1.67 0.00 -0.51 -4.43 121.76 115.42 2e83 s ALA 107 Ca 0.22 0.18 0.24 0.00 0.00 0.00 0.00 51.96 52.59 2e83 s ALA 107 Cb 0.19 -3.67 0.39 0.00 0.00 0.00 0.00 23.12 20.03 2e83 s ALA 107 CO 0.51 -1.42 1.48 0.07 0.00 0.00 0.00 175.76 176.41 2e83 h ARG 108 N 8.40 0.00 -2.84 0.00 0.11 -0.61 -3.48 114.38 115.96 2e83 h ARG 108 Ca -0.24 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.92 2e83 h ARG 108 Cb 1.08 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.12 2e83 h ARG 108 CO 1.01 0.00 0.31 0.00 0.10 0.00 0.00 179.97 181.39 2e83 s ALA 109 N -3.21 -1.24 -0.08 0.08 0.00 -1.13 -4.77 121.76 111.43 2e83 s ALA 109 Ca 0.06 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2e83 s ALA 109 Cb 0.09 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 2e83 s ALA 109 CO 0.69 -1.03 -0.15 0.00 0.00 0.00 0.00 175.76 175.27 2e83 s ALA 110 N -3.40 2.61 -0.33 0.00 0.00 0.81 -1.01 121.76 120.44 2e83 s ALA 110 Ca 0.13 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2e83 s ALA 110 Cb -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 2e83 s ALA 110 CO 0.07 0.45 0.30 -1.17 0.00 0.00 0.00 175.76 175.40 2e83 s LEU 111 N -0.34 4.43 -0.27 0.00 2.96 -0.38 -0.91 118.68 124.17 2e83 s LEU 111 Ca 0.03 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2e83 s LEU 111 Cb -0.13 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 2e83 s LEU 111 CO 0.02 -0.27 0.08 -0.69 -1.32 0.00 0.00 176.35 174.17 2e83 s VAL 112 N 1.87 4.18 -0.27 1.68 1.01 0.68 -1.28 120.40 128.27 2e83 s VAL 112 Ca 0.09 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2e83 s VAL 112 Cb -0.17 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2e83 s VAL 112 CO 0.11 0.22 0.06 -0.63 0.00 0.00 0.00 175.10 174.86 2e83 s ILE 113 N 1.57 3.97 -0.35 2.22 1.01 0.46 -1.09 121.20 128.99 2e83 s ILE 113 Ca 0.05 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 2e83 s ILE 113 Cb -0.16 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2e83 s ILE 113 CO 0.03 0.20 0.60 -0.89 0.00 0.00 0.00 174.94 174.88 2e83 s THR 114 N 1.53 4.93 0.03 2.92 2.01 -0.06 -0.66 115.64 126.34 2e83 s THR 114 Ca 0.04 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 2e83 s THR 114 Cb -0.16 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2e83 s THR 114 CO 0.02 -0.27 1.02 -0.69 -0.69 0.00 0.00 174.62 174.00 2e83 s VAL 115 N 2.60 4.65 -0.08 3.82 1.01 0.38 -1.58 120.40 131.20 2e83 s VAL 115 Ca 0.23 1.94 0.15 0.00 0.00 0.00 0.00 61.98 64.30 2e83 s VAL 115 Cb -0.15 -4.24 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 2e83 s VAL 115 CO 0.14 0.18 0.23 1.33 0.00 0.00 0.00 175.10 176.98 2e83 n VAL 116 N 3.71 0.44 -3.58 2.92 0.24 0.79 -4.95 118.33 117.90 2e83 n VAL 116 Ca 0.06 -0.49 -0.17 0.00 -2.04 0.00 0.00 64.34 61.70 2e83 n VAL 116 Cb 0.50 -0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 2e83 n VAL 116 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2e83 s SER 117 N -4.31 -0.56 -0.08 -1.34 1.04 -1.01 -5.00 113.70 102.44 2e83 s SER 117 Ca -0.07 0.62 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 2e83 s SER 117 Cb 0.08 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2e83 s SER 117 CO 0.66 -0.55 -0.01 0.00 0.98 0.00 0.00 173.24 174.32 2e83 s ALA 118 N -1.13 0.78 -0.16 5.32 0.00 -1.26 -1.36 121.76 123.95 2e83 s ALA 118 Ca -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 2e83 s ALA 118 Cb -0.01 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 2e83 s ALA 118 CO 0.08 -0.45 -0.14 -1.21 0.00 0.00 0.00 175.76 174.04 2e83 s GLU 119 N 1.93 3.23 -0.31 0.00 2.02 -0.14 -4.99 118.70 120.44 2e83 s GLU 119 Ca 0.05 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 2e83 s GLU 119 Cb -0.12 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.46 2e83 s GLU 119 CO -0.06 0.00 1.16 -1.14 0.02 0.00 0.00 175.26 175.25 2e83 s GLN 120 N 0.86 4.01 0.00 1.61 0.74 -1.26 -0.80 119.66 124.82 2e83 s GLN 120 Ca -0.04 1.15 0.23 0.00 0.05 0.00 0.00 55.36 56.75 2e83 s GLN 120 Cb -0.15 -3.79 0.57 0.00 1.10 0.00 0.00 33.01 30.74 2e83 s GLN 120 CO -0.01 -0.98 1.49 0.25 -0.55 0.00 0.00 175.29 175.50 2e83 n THR 121 N 5.99 0.83 -1.65 -0.34 -2.24 -0.63 -4.98 114.28 111.26 2e83 n THR 121 Ca 0.13 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2e83 n THR 121 Cb 0.47 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2e83 n THR 121 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39