#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej s SER 2 N 0.00 1.74 -0.00 1.61 0.15 -1.26 -5.16 113.70 110.78 2eej s SER 2 Ca 0.00 -0.97 -0.00 0.00 0.70 0.00 0.00 55.95 55.68 2eej s SER 2 Cb 0.00 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2eej s SER 2 CO 0.00 -0.31 0.01 -0.44 1.20 0.00 0.00 173.24 173.70 2eej s SER 3 N -3.01 0.00 0.00 5.45 0.01 -1.26 -5.04 113.70 109.86 2eej s SER 3 Ca 0.14 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2eej s SER 3 Cb 0.01 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2eej s SER 3 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2eej n GLY 4 N 2.97 -0.13 3.44 3.44 0.00 -1.26 -4.95 105.19 108.70 2eej n GLY 4 Ca -0.13 -0.74 -0.48 0.00 0.00 0.00 0.00 46.02 44.67 2eej n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eej n SER 5 N 0.00 1.49 -3.51 1.61 7.64 -1.26 -4.87 113.62 114.72 2eej n SER 5 Ca 0.00 0.27 -0.15 0.00 1.01 0.00 0.00 58.87 60.00 2eej n SER 5 Cb 0.00 -1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 61.99 2eej n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eej s SER 6 N 8.18 -0.56 0.00 6.43 1.04 -1.26 -5.07 113.70 122.47 2eej s SER 6 Ca 1.16 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2eej s SER 6 Cb -0.97 0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2eej s SER 6 CO 0.49 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2eej n GLY 7 N 0.35 1.45 3.59 7.32 0.00 -1.26 -5.04 105.19 111.60 2eej n GLY 7 Ca -0.18 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 2eej n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 8 N 0.00 -1.23 -0.06 1.61 0.04 -1.26 -4.56 135.00 129.54 2eej s PRO 8 Ca 0.00 -0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.02 2eej s PRO 8 Cb 0.00 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.93 2eej s PRO 8 CO 0.00 -3.71 -0.22 -1.59 0.04 0.00 0.00 177.00 171.52 2eej s LYS 9 N -5.40 2.57 -0.42 4.56 -2.85 -0.64 -4.90 119.74 112.65 2eej s LYS 9 Ca 0.71 -0.84 -0.21 0.00 -1.00 0.00 0.00 55.97 54.62 2eej s LYS 9 Cb -0.10 -2.24 0.02 0.00 -2.06 0.00 0.00 37.83 33.45 2eej s LYS 9 CO 0.56 0.44 0.69 -1.17 0.10 0.00 0.00 175.35 175.97 2eej s LEU 10 N -0.29 4.37 -0.09 2.77 1.98 -1.26 -3.41 118.68 122.75 2eej s LEU 10 Ca 0.01 -0.15 -0.00 0.00 -2.89 0.00 0.00 54.13 51.09 2eej s LEU 10 Cb -0.13 -2.82 -0.03 0.00 0.66 0.00 0.00 46.19 43.88 2eej s LEU 10 CO 0.03 -0.78 -0.07 0.00 -1.89 0.00 0.00 176.35 173.64 2eej s ARG 12 N -0.47 2.62 0.17 0.00 0.52 -1.26 -2.61 118.95 117.93 2eej s ARG 12 Ca 0.07 -1.11 -0.22 0.00 -0.52 0.00 0.00 55.73 53.94 2eej s ARG 12 Cb -0.12 -2.96 -0.08 0.00 0.52 0.00 0.00 34.95 32.31 2eej s ARG 12 CO 0.02 -0.47 0.73 -0.51 0.02 0.00 0.00 175.30 175.09 2eej s LEU 13 N 1.25 4.50 -0.20 2.53 1.43 -0.96 -4.73 118.68 122.50 2eej s LEU 13 Ca -0.03 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2eej s LEU 13 Cb -0.18 -3.34 0.05 0.00 0.03 0.00 0.00 46.19 42.75 2eej s LEU 13 CO -0.05 0.16 -0.04 0.00 0.23 0.00 0.00 176.35 176.65 2eej s ALA 14 N -1.28 1.61 -0.53 4.21 0.00 -1.26 -2.88 121.76 121.63 2eej s ALA 14 Ca 0.37 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 2eej s ALA 14 Cb -0.20 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 2eej s ALA 14 CO 0.23 -1.02 1.62 0.21 0.00 0.00 0.00 175.76 176.80 2eej s LYS 15 N 1.57 3.11 -0.07 0.00 2.20 0.94 -4.74 119.74 122.75 2eej s LYS 15 Ca -0.02 0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 2eej s LYS 15 Cb -0.17 -4.21 -0.03 0.00 -1.51 0.00 0.00 37.83 31.91 2eej s LYS 15 CO -0.07 -2.15 -0.15 0.41 -0.36 0.00 0.00 175.35 173.02 2eej n GLY 16 N 5.42 -0.46 3.16 5.54 0.00 -1.26 -4.93 105.19 112.66 2eej n GLY 16 Ca 0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2eej n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2eej s GLU 17 N -1.89 0.37 -1.35 1.61 1.03 -1.26 -4.90 118.70 112.31 2eej s GLU 17 Ca -0.13 0.25 -0.07 0.00 0.03 0.00 0.00 54.97 55.05 2eej s GLU 17 Cb 0.02 0.18 0.02 0.00 -0.80 0.00 0.00 34.13 33.54 2eej s GLU 17 CO 0.19 -0.06 1.07 0.09 -1.33 0.00 0.00 175.26 175.22 2eej n ASN 18 N 2.61 -4.78 -1.15 0.83 4.13 -1.26 -4.71 115.26 110.93 2eej n ASN 18 Ca -0.15 -0.62 0.13 0.00 1.68 0.00 0.00 54.58 55.62 2eej n ASN 18 Cb 0.58 -4.77 -0.03 0.00 -1.54 0.00 0.00 39.78 34.02 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eej n GLY 19 N -1.74 -1.72 0.23 7.41 0.00 -1.26 -4.33 105.19 103.79 2eej n GLY 19 Ca -0.07 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 2eej n GLY 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2eej h TYR 20 N -0.85 -0.49 0.00 1.61 0.05 -1.90 -3.41 116.97 111.98 2eej h TYR 20 Ca 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2eej h TYR 20 Cb 0.84 0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.74 2eej h TYR 20 CO 0.00 -0.26 0.00 0.41 -1.05 0.00 0.00 178.16 177.26 2eej n GLY 21 N -1.12 3.68 3.88 3.88 0.00 -1.26 -4.18 105.19 110.07 2eej n GLY 21 Ca -0.11 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2eej n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eej s PHE 22 N 0.00 3.45 0.35 1.61 -0.71 -1.26 -4.37 117.98 117.05 2eej s PHE 22 Ca 0.00 1.07 0.07 0.00 -1.04 0.00 0.00 56.93 57.04 2eej s PHE 22 Cb 0.00 -2.85 -0.03 0.00 -1.21 0.00 0.00 43.02 38.94 2eej s PHE 22 CO 0.00 -0.89 0.27 -1.01 -1.34 0.00 0.00 175.22 172.24 2eej s HIS 23 N -3.21 1.80 0.11 3.49 3.76 0.20 -4.95 115.29 116.49 2eej s HIS 23 Ca 0.56 -1.63 0.10 0.00 -0.15 0.00 0.00 55.06 53.93 2eej s HIS 23 Cb -0.11 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 2eej s HIS 23 CO 0.51 -0.80 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.86 2eej s LEU 24 N -3.43 2.45 -0.02 0.89 1.02 -1.26 -0.34 118.68 117.99 2eej s LEU 24 Ca 0.38 -0.64 0.03 0.00 0.02 0.00 0.00 54.13 53.92 2eej s LEU 24 Cb 0.02 -1.36 -0.00 0.00 0.02 0.00 0.00 46.19 44.87 2eej s LEU 24 CO 0.27 0.20 -0.11 0.54 0.02 0.00 0.00 176.35 177.26 2eej s ASN 25 N -1.93 1.37 -0.59 2.29 4.22 -1.22 -4.89 114.94 114.21 2eej s ASN 25 Ca 0.15 -0.21 -0.28 0.00 -2.14 0.00 0.00 52.86 50.38 2eej s ASN 25 Cb -0.10 -0.32 0.02 0.00 1.28 0.00 0.00 41.25 42.13 2eej s ASN 25 CO 0.07 0.09 1.28 0.00 -2.04 0.00 0.00 177.10 176.50 2eej s ALA 26 N 0.07 2.91 0.06 3.54 0.00 -1.26 -3.94 121.76 123.14 2eej s ALA 26 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2eej s ALA 26 Cb -0.08 -4.08 -0.04 0.00 0.00 0.00 0.00 23.12 18.92 2eej s ALA 26 CO 0.00 -2.80 0.20 0.42 0.00 0.00 0.00 175.76 173.58 2eej s ILE 27 N 5.39 5.31 -0.50 0.00 1.01 -1.26 -5.02 121.20 126.12 2eej s ILE 27 Ca 0.46 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2eej s ILE 27 Cb -0.09 -3.59 0.44 0.00 0.01 0.00 0.00 42.46 39.24 2eej s ILE 27 CO 0.24 0.14 1.57 -2.11 0.00 0.00 0.00 174.94 174.79 2eej n ARG 28 N 0.31 3.18 0.00 2.79 1.85 -1.26 -4.52 116.66 119.00 2eej n ARG 28 Ca -0.05 -3.82 0.00 0.00 -1.00 0.00 0.00 57.85 52.98 2eej n ARG 28 Cb 0.51 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eej n GLY 29 N -0.75 0.00 3.05 2.89 0.00 -1.26 -5.10 105.19 104.02 2eej n GLY 29 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 2eej n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 30 N -3.22 2.31 0.29 0.99 1.43 -1.26 -5.14 118.68 114.08 2eej s LEU 30 Ca 0.00 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 2eej s LEU 30 Cb 0.00 -0.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.11 2eej s LEU 30 CO 0.00 -0.32 1.24 -2.16 0.23 0.00 0.00 176.35 175.34 2eej s PRO 31 N -2.13 4.45 0.00 1.29 0.04 -1.26 -4.84 135.00 132.55 2eej s PRO 31 Ca -0.07 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2eej s PRO 31 Cb -0.06 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2eej s PRO 31 CO -0.02 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.36 2eej n GLY 32 N 1.21 -0.51 2.14 0.56 0.00 -0.95 -4.93 105.19 102.71 2eej n GLY 32 Ca 0.01 -1.59 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 2eej n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eej n SER 33 N -1.01 -1.39 -3.88 1.61 7.64 -1.26 -4.80 113.62 110.52 2eej n SER 33 Ca 0.00 -0.96 -0.11 0.00 1.01 0.00 0.00 58.87 58.81 2eej n SER 33 Cb 0.00 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2eej s PHE 34 N -2.28 0.67 -0.29 1.43 0.40 -1.25 -3.69 117.98 112.98 2eej s PHE 34 Ca 0.43 -0.98 -0.15 0.00 -0.60 0.00 0.00 56.93 55.63 2eej s PHE 34 Cb -0.04 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.44 2eej s PHE 34 CO 0.33 -0.95 0.38 0.42 0.70 0.00 0.00 175.22 176.10 2eej s ILE 35 N -3.84 5.16 0.03 0.64 1.01 -0.84 -3.38 121.20 119.97 2eej s ILE 35 Ca 0.28 0.48 0.01 0.00 0.00 0.00 0.00 60.65 61.42 2eej s ILE 35 Cb 0.01 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2eej s ILE 35 CO 0.12 0.09 -0.05 -0.75 0.00 0.00 0.00 174.94 174.36 2eej s LYS 36 N 2.09 0.37 -0.85 2.79 2.47 0.54 -4.16 119.74 123.00 2eej s LYS 36 Ca 0.15 -0.59 -0.04 0.00 -1.56 0.00 0.00 55.97 53.94 2eej s LYS 36 Cb -0.16 -0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 2eej s LYS 36 CO 0.10 0.00 0.73 0.39 0.16 0.00 0.00 175.35 176.74 2eej n GLU 37 N 1.76 -4.87 -3.12 4.03 1.02 -1.26 -0.63 120.64 117.57 2eej n GLU 37 Ca -0.22 0.54 -0.43 0.00 -0.02 0.00 0.00 57.16 57.04 2eej n GLU 37 Cb 0.55 -4.70 -0.07 0.00 -0.02 0.00 0.00 31.44 27.21 2eej n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eej s VAL 38 N -3.22 4.84 -0.55 2.62 0.11 -1.26 -4.00 120.40 118.93 2eej s VAL 38 Ca 0.24 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 59.07 2eej s VAL 38 Cb -0.11 -4.21 -0.01 0.00 -1.53 0.00 0.00 36.38 30.52 2eej s VAL 38 CO 0.47 -0.61 1.72 -1.10 -3.33 0.00 0.00 175.10 172.25 2eej s GLN 39 N 2.79 2.94 0.63 1.54 -1.52 -1.26 -4.95 119.66 119.82 2eej s GLN 39 Ca 0.22 0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 54.14 2eej s GLN 39 Cb -0.15 -4.28 -0.10 0.00 -0.22 0.00 0.00 33.01 28.26 2eej s GLN 39 CO 0.18 -2.36 0.19 1.63 -0.25 0.00 0.00 175.29 174.68 2eej n LYS 40 N 8.93 0.24 0.00 2.91 4.01 -1.26 -1.95 118.16 131.03 2eej n LYS 40 Ca 0.18 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 2eej n LYS 40 Cb 0.50 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.59 2eej n LYS 40 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2eej n GLY 41 N 2.15 2.64 0.00 0.72 0.00 -1.26 -4.99 105.19 104.45 2eej n GLY 41 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2eej n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eej n GLY 42 N 0.00 -2.56 0.07 -0.02 0.00 -0.82 -4.48 105.19 97.37 2eej n GLY 42 Ca 0.00 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2eej n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej h PRO 43 N 0.00 0.05 0.02 1.61 0.13 -1.85 -1.42 132.00 130.54 2eej h PRO 43 Ca 0.00 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2eej h PRO 43 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2eej h PRO 43 CO 0.00 0.52 -0.19 0.00 -0.23 0.00 0.00 178.00 178.10 2eej h ALA 44 N 0.52 -0.25 0.59 -0.56 0.00 -1.90 -0.29 119.26 117.37 2eej h ALA 44 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2eej h ALA 44 Cb 0.52 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2eej h ALA 44 CO 0.01 -0.69 -0.28 0.22 0.00 0.00 0.00 179.25 178.50 2eej h ASP 45 N -0.32 -0.67 -0.79 0.00 3.58 -1.75 -1.31 116.42 115.16 2eej h ASP 45 Ca 0.05 -0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.69 2eej h ASP 45 Cb 0.38 0.17 -0.13 0.00 1.72 0.00 0.00 39.33 41.48 2eej h ASP 45 CO -0.17 -0.43 0.11 -0.07 -2.88 0.00 0.00 179.24 175.81 2eej h LEU 46 N -0.86 -0.16 -1.23 2.28 3.38 -1.15 0.38 115.31 117.96 2eej h LEU 46 Ca -0.08 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2eej h LEU 46 Cb 0.63 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2eej h LEU 46 CO 0.13 -0.14 0.53 0.00 0.09 0.00 0.00 178.44 179.06 2eej h ALA 47 N 1.71 1.49 0.00 1.53 0.00 -0.89 -3.46 119.26 119.64 2eej h ALA 47 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2eej h ALA 47 Cb 0.83 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2eej h ALA 47 CO -0.63 0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2eej n GLY 48 N -1.41 1.26 3.72 0.00 0.00 0.13 -4.78 105.19 104.11 2eej n GLY 48 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2eej n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 49 N 0.00 3.77 0.51 0.99 1.43 -0.54 -5.01 118.68 119.83 2eej s LEU 49 Ca 0.00 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2eej s LEU 49 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2eej s LEU 49 CO 0.00 0.37 0.17 -1.61 0.23 0.00 0.00 176.35 175.51 2eej s GLU 50 N -0.84 2.22 -0.04 1.70 8.01 -1.26 -4.33 118.70 124.15 2eej s GLU 50 Ca 0.13 -2.20 0.04 0.00 0.01 0.00 0.00 54.97 52.94 2eej s GLU 50 Cb -0.12 -1.79 0.19 0.00 -4.31 0.00 0.00 34.13 28.11 2eej s GLU 50 CO 0.03 -0.43 0.89 -3.47 0.01 0.00 0.00 175.26 172.28 2eej n ASP 51 N -1.45 1.88 -1.44 -0.19 -0.08 -1.26 -3.49 116.55 110.53 2eej n ASP 51 Ca -0.11 -2.17 0.03 0.00 -1.51 0.00 0.00 54.79 51.03 2eej n ASP 51 Cb 0.66 -0.44 0.06 0.00 2.34 0.00 0.00 41.12 43.74 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2eej n GLU 52 N 0.13 0.62 -4.14 -0.67 -0.58 -1.26 -4.72 120.64 110.01 2eej n GLU 52 Ca 0.07 -2.49 -0.26 0.00 -0.42 0.00 0.00 57.16 54.05 2eej n GLU 52 Cb 0.40 -0.57 -0.06 0.00 -0.57 0.00 0.00 31.44 30.64 2eej n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2eej s ASP 53 N -2.49 5.17 -0.15 1.62 1.01 -1.23 -4.67 116.67 115.95 2eej s ASP 53 Ca 0.35 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.37 2eej s ASP 53 Cb 0.38 -1.24 0.02 0.00 1.01 0.00 0.00 42.92 43.08 2eej s ASP 53 CO -0.13 0.08 -0.19 0.68 0.21 0.00 0.00 175.17 175.82 2eej s VAL 54 N -1.75 1.86 -0.72 -1.27 -7.23 -1.26 -1.99 120.40 108.04 2eej s VAL 54 Ca 0.29 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.37 2eej s VAL 54 Cb -0.10 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.10 2eej s VAL 54 CO 0.21 0.51 2.10 -0.63 -0.31 0.00 0.00 175.10 176.98 2eej s ILE 55 N 1.14 3.25 0.00 -0.62 1.09 -1.24 -4.08 121.20 120.74 2eej s ILE 55 Ca -0.01 -0.06 -0.10 0.00 -1.10 0.00 0.00 60.65 59.39 2eej s ILE 55 Cb -0.14 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 2eej s ILE 55 CO -0.07 -0.58 0.85 0.40 -0.10 0.00 0.00 174.94 175.43 2eej h ILE 56 N 7.31 0.00 -2.31 2.92 2.04 -0.62 -3.41 117.51 123.44 2eej h ILE 56 Ca -0.09 -0.11 -0.54 0.00 1.00 0.00 0.00 64.86 65.11 2eej h ILE 56 Cb 1.10 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.05 2eej h ILE 56 CO 1.16 0.00 -0.62 -1.83 0.00 0.00 0.00 178.15 176.86 2eej s GLU 57 N -3.23 1.76 -0.22 2.37 -1.05 -1.22 -0.58 118.70 116.52 2eej s GLU 57 Ca -0.05 -1.97 -0.06 0.00 -0.15 0.00 0.00 54.97 52.74 2eej s GLU 57 Cb 0.01 -1.26 0.11 0.00 -0.44 0.00 0.00 34.13 32.54 2eej s GLU 57 CO 0.16 -0.08 0.45 0.54 0.95 0.00 0.00 175.26 177.28 2eej s VAL 58 N -2.98 -0.70 -1.21 1.83 0.11 -0.73 -2.86 120.40 113.85 2eej s VAL 58 Ca 0.35 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 2eej s VAL 58 Cb 0.08 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2eej s VAL 58 CO 0.16 0.03 0.00 0.59 -3.33 0.00 0.00 175.10 172.55 2eej n ASN 59 N 5.40 -4.28 -1.51 3.54 4.13 -1.20 -3.64 115.26 117.70 2eej n ASN 59 Ca -0.08 0.06 -0.00 0.00 1.68 0.00 0.00 54.58 56.24 2eej n ASN 59 Cb 0.50 -3.35 0.00 0.00 -1.54 0.00 0.00 39.78 35.39 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eej n GLY 60 N -1.08 0.90 3.60 7.41 0.00 -1.26 -5.09 105.19 109.66 2eej n GLY 60 Ca -0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 2eej n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s VAL 61 N -3.00 -0.15 -0.61 1.61 0.11 -1.24 -5.11 120.40 112.01 2eej s VAL 61 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 2eej s VAL 61 Cb -0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2eej s VAL 61 CO 0.01 0.00 1.82 0.21 -3.33 0.00 0.00 175.10 173.80 2eej s ASN 62 N 1.68 5.35 -0.51 3.54 3.84 -1.26 -1.78 114.94 125.81 2eej s ASN 62 Ca -0.08 0.32 0.02 0.00 0.21 0.00 0.00 52.86 53.33 2eej s ASN 62 Cb -0.05 -2.53 0.47 0.00 -0.55 0.00 0.00 41.25 38.59 2eej s ASN 62 CO -0.16 -2.32 1.71 1.33 -2.79 0.00 0.00 177.10 174.87 2eej n VAL 63 N 7.16 3.17 -0.02 -5.21 0.24 0.25 -4.64 118.33 119.28 2eej n VAL 63 Ca 0.19 -3.27 -0.16 0.00 -2.04 0.00 0.00 64.34 59.06 2eej n VAL 63 Cb 0.52 -1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 31.74 2eej n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2eej h LEU 64 N 1.92 0.45 -0.20 1.34 3.38 -1.71 -3.30 115.31 117.18 2eej h LEU 64 Ca 0.50 -0.69 -0.22 0.00 0.09 0.00 0.00 57.88 57.57 2eej h LEU 64 Cb 1.23 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2eej h LEU 64 CO 1.21 1.06 -0.82 0.44 0.09 0.00 0.00 178.44 180.42 2eej h ASP 65 N -0.14 0.79 -2.21 -0.43 5.19 -1.91 -2.51 116.42 115.21 2eej h ASP 65 Ca -0.04 -0.54 -0.60 0.00 -0.62 0.00 0.00 57.03 55.23 2eej h ASP 65 Cb 1.08 -0.23 0.16 0.00 0.18 0.00 0.00 39.33 40.52 2eej h ASP 65 CO 0.08 1.33 -0.74 -0.62 -3.12 0.00 0.00 179.24 176.17 2eej n GLU 66 N -3.88 0.26 0.00 3.56 1.02 -1.25 -4.68 120.64 115.67 2eej n GLU 66 Ca -0.07 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2eej n GLU 66 Cb 0.76 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 2eej n GLU 66 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2eej n PRO 67 N 0.89 0.28 0.02 3.49 -0.04 -1.26 -4.41 135.00 133.96 2eej n PRO 67 Ca 0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2eej n PRO 67 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 2eej n PRO 67 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2eej n TYR 68 N -1.23 0.95 0.09 0.54 9.36 -1.26 -3.00 117.16 122.61 2eej n TYR 68 Ca 0.00 0.32 -0.07 0.00 3.32 0.00 0.00 57.90 61.47 2eej n TYR 68 Cb 0.00 -1.10 0.02 0.00 -0.63 0.00 0.00 39.34 37.63 2eej n TYR 68 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2eej h GLU 69 N 0.00 0.13 0.00 2.98 4.39 -1.99 -2.49 114.58 117.60 2eej h GLU 69 Ca -0.20 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 2eej h GLU 69 Cb 1.68 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.37 2eej h GLU 69 CO 0.05 0.88 -0.04 0.87 -1.16 0.00 0.00 179.01 179.62 2eej h LYS 70 N 0.08 0.00 -0.97 2.33 6.56 -1.94 -2.80 116.57 119.83 2eej h LYS 70 Ca -0.03 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.62 2eej h LYS 70 Cb 1.44 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 33.04 2eej h LYS 70 CO 0.12 0.91 0.63 -0.39 -2.06 0.00 0.00 179.45 178.66 2eej h VAL 71 N -1.00 1.09 0.23 0.50 -1.51 -1.65 -2.27 116.25 111.64 2eej h VAL 71 Ca -0.01 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 65.06 2eej h VAL 71 Cb 0.92 -0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 2eej h VAL 71 CO -0.01 0.21 -0.11 1.62 -1.23 0.00 0.00 177.57 178.05 2eej h VAL 72 N 1.13 0.84 -1.04 7.19 3.04 -1.57 -2.39 116.25 123.46 2eej h VAL 72 Ca 0.41 -0.66 0.27 0.00 -1.01 0.00 0.00 66.70 65.71 2eej h VAL 72 Cb 0.16 1.21 -0.08 0.00 -2.01 0.00 0.00 31.29 30.57 2eej h VAL 72 CO -0.16 0.14 0.69 -0.78 -1.01 0.00 0.00 177.57 176.45 2eej h ASP 73 N -0.66 0.34 -0.22 3.17 1.82 -1.23 0.63 116.42 120.28 2eej h ASP 73 Ca -0.03 0.06 -0.21 0.00 -0.39 0.00 0.00 57.03 56.46 2eej h ASP 73 Cb 0.46 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.48 2eej h ASP 73 CO 0.05 0.08 -0.68 0.03 -1.61 0.00 0.00 179.24 177.11 2eej h ARG 74 N 0.30 0.84 0.00 0.28 3.08 -1.28 -0.01 114.38 117.59 2eej h ARG 74 Ca 0.56 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2eej h ARG 74 Cb 1.60 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.76 2eej h ARG 74 CO -0.21 1.24 0.00 0.82 -1.07 0.00 0.00 179.97 180.74 2eej h ILE 75 N 0.61 0.00 0.00 2.04 2.04 -0.04 -2.04 117.51 120.11 2eej h ILE 75 Ca -0.02 -0.68 -0.25 0.00 1.00 0.00 0.00 64.86 64.91 2eej h ILE 75 Cb 1.30 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 2eej h ILE 75 CO 0.14 0.00 -1.75 0.00 0.00 0.00 0.00 178.15 176.55 2eej n GLN 76 N -2.65 0.64 0.12 2.37 1.13 0.19 -4.12 117.38 115.06 2eej n GLN 76 Ca 0.04 0.18 0.12 0.00 -1.94 0.00 0.00 57.00 55.40 2eej n GLN 76 Cb 0.45 -1.73 0.02 0.00 0.11 0.00 0.00 30.24 29.09 2eej n GLN 76 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2eej h SER 77 N 0.00 0.00 -0.84 1.08 0.02 -0.99 -3.38 113.55 109.44 2eej h SER 77 Ca -0.28 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2eej h SER 77 Cb 1.85 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 64.28 2eej h SER 77 CO 0.05 0.00 -0.46 -1.54 -1.14 0.00 0.00 176.83 173.74 2eej n SER 78 N -2.72 -0.81 0.00 3.07 3.41 -0.77 -4.92 113.62 110.87 2eej n SER 78 Ca 0.00 1.49 0.00 0.00 -0.26 0.00 0.00 58.87 60.10 2eej n SER 78 Cb 0.55 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 79 N -1.25 0.93 0.15 5.00 0.00 -1.26 -4.82 105.19 103.94 2eej n GLY 79 Ca 0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 2eej n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eej n LYS 80 N 0.00 0.55 -4.79 1.61 2.85 -1.26 -4.85 118.16 112.27 2eej n LYS 80 Ca 0.00 0.23 -0.33 0.00 -1.05 0.00 0.00 58.31 57.16 2eej n LYS 80 Cb 0.00 -1.44 -0.13 0.00 -0.65 0.00 0.00 35.03 32.82 2eej n LYS 80 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2eej s ASN 81 N -6.87 4.22 -0.12 -5.58 -0.87 -1.26 -0.04 114.94 104.42 2eej s ASN 81 Ca -0.34 -0.16 -0.10 0.00 -1.57 0.00 0.00 52.86 50.69 2eej s ASN 81 Cb 0.11 -1.05 0.03 0.00 -0.02 0.00 0.00 41.25 40.32 2eej s ASN 81 CO 0.45 0.33 0.31 0.54 -2.57 0.00 0.00 177.10 176.15 2eej s VAL 82 N -0.60 -0.00 -0.38 1.60 0.11 -1.14 -4.99 120.40 115.00 2eej s VAL 82 Ca 0.09 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 2eej s VAL 82 Cb -0.11 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2eej s VAL 82 CO 0.01 0.01 0.32 -0.89 -3.33 0.00 0.00 175.10 171.22 2eej s THR 83 N 0.29 5.21 -0.09 5.04 2.01 -1.26 -2.28 115.64 124.57 2eej s THR 83 Ca -0.01 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2eej s THR 83 Cb -0.03 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2eej s THR 83 CO -0.01 -0.20 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.93 2eej s LEU 84 N 1.86 3.35 -0.28 4.42 2.01 -1.07 -3.27 118.68 125.70 2eej s LEU 84 Ca 0.08 0.03 -0.07 0.00 0.01 0.00 0.00 54.13 54.18 2eej s LEU 84 Cb -0.18 -1.76 -0.00 0.00 0.01 0.00 0.00 46.19 44.27 2eej s LEU 84 CO 0.11 0.34 0.08 -0.22 1.01 0.00 0.00 176.35 177.67 2eej s LEU 85 N -0.67 3.71 0.24 1.79 0.20 -1.14 -3.12 118.68 119.70 2eej s LEU 85 Ca 0.10 -0.55 0.11 0.00 0.69 0.00 0.00 54.13 54.48 2eej s LEU 85 Cb -0.12 -1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 2eej s LEU 85 CO 0.02 -0.14 -0.19 0.68 -0.29 0.00 0.00 176.35 176.42 2eej s VAL 86 N 1.54 2.27 -0.13 1.68 -7.23 -1.22 0.15 120.40 117.46 2eej s VAL 86 Ca 0.04 -2.28 -0.05 0.00 -1.81 0.00 0.00 61.98 57.89 2eej s VAL 86 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2eej s VAL 86 CO 0.03 -0.39 0.04 0.00 -0.31 0.00 0.00 175.10 174.47 2eej s GLY 88 N -0.40 1.52 0.22 0.00 0.00 -1.26 -4.63 107.32 102.77 2eej s GLY 88 Ca 0.09 1.24 -0.32 0.00 0.00 0.00 0.00 44.72 45.73 2eej s GLY 88 CO 0.02 2.96 1.35 1.17 0.00 0.00 0.00 173.10 178.60 2eej n LYS 89 N 5.76 1.82 -3.63 2.90 3.00 -1.26 -4.95 118.16 121.80 2eej n LYS 89 Ca 0.16 0.65 -0.38 0.00 -0.00 0.00 0.00 58.31 58.74 2eej n LYS 89 Cb 0.40 -2.27 -0.11 0.00 0.00 0.00 0.00 35.03 33.05 2eej n LYS 89 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2eej s LYS 90 N -0.38 3.80 0.08 1.64 2.20 -1.26 -5.08 119.74 120.73 2eej s LYS 90 Ca 0.69 -0.42 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 2eej s LYS 90 Cb -0.70 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 2eej s LYS 90 CO 0.50 -0.22 -0.05 -1.12 -0.36 0.00 0.00 175.35 174.10 2eej s SER 91 N 1.71 4.75 0.41 1.43 0.01 -1.26 -5.11 113.70 115.64 2eej s SER 91 Ca 0.07 -0.24 -0.24 0.00 1.31 0.00 0.00 55.95 56.84 2eej s SER 91 Cb -0.16 -1.06 -0.09 0.00 0.21 0.00 0.00 66.02 64.93 2eej s SER 91 CO 0.09 0.19 1.08 -0.83 0.41 0.00 0.00 173.24 174.18 2eej s GLY 92 N -2.12 2.76 0.00 3.44 0.00 -1.26 -4.92 107.32 105.22 2eej s GLY 92 Ca 0.23 0.77 0.15 0.00 0.00 0.00 0.00 44.72 45.86 2eej s GLY 92 CO 0.15 1.21 1.39 -1.55 0.00 0.00 0.00 173.10 174.30 2eej n PRO 93 N -0.11 0.26 -1.56 2.90 -0.04 -1.26 -4.85 135.00 130.34 2eej n PRO 93 Ca 0.05 0.12 -0.51 0.00 -0.04 0.00 0.00 63.50 63.13 2eej n PRO 93 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 2eej n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2eej n SER 94 N -1.23 1.08 -4.52 3.54 3.41 -1.26 -4.91 113.62 109.73 2eej n SER 94 Ca 0.08 1.14 -0.42 0.00 -0.26 0.00 0.00 58.87 59.40 2eej n SER 94 Cb 0.11 -1.16 -0.08 0.00 -0.26 0.00 0.00 64.21 62.82 2eej n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eej s SER 95 N 0.03 6.26 0.00 4.04 1.04 -1.26 -5.23 113.70 118.57 2eej s SER 95 Ca 0.77 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.87 2eej s SER 95 Cb -0.93 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 62.97 2eej s SER 95 CO 0.52 -0.57 0.63 0.61 0.98 0.00 0.00 173.24 175.41