#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k s SER 2 N 0.00 0.37 0.03 1.61 0.15 -1.26 -5.16 113.70 109.45 2d8k s SER 2 Ca 0.00 -1.27 -0.03 0.00 0.70 0.00 0.00 55.95 55.35 2d8k s SER 2 Cb 0.00 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2d8k s SER 2 CO 0.00 -0.75 0.23 -0.44 1.20 0.00 0.00 173.24 173.47 2d8k s SER 3 N -3.11 6.40 0.03 5.45 0.01 -1.26 -5.01 113.70 116.21 2d8k s SER 3 Ca 0.30 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2d8k s SER 3 Cb 0.07 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2d8k s SER 3 CO 0.06 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2d8k n GLY 4 N 0.66 -0.02 3.38 3.44 0.00 -1.26 -5.09 105.19 106.31 2d8k n GLY 4 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8k s SER 5 N -5.17 -0.41 0.00 1.61 0.15 -1.26 -5.02 113.70 103.60 2d8k s SER 5 Ca 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2d8k s SER 5 Cb 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2d8k s SER 5 CO 0.00 -4.97 0.00 -1.54 1.20 0.00 0.00 173.24 167.93 2d8k n SER 6 N -5.37 1.79 0.00 5.45 3.41 -1.26 -5.06 113.62 112.58 2d8k n SER 6 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2d8k n SER 6 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2d8k n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 7 N 2.80 -1.37 3.23 5.00 0.00 -1.26 -5.16 105.19 108.44 2d8k n GLY 7 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 2d8k n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8k s SER 8 N 0.00 3.46 0.27 1.61 1.04 -1.26 -5.12 113.70 113.70 2d8k s SER 8 Ca 0.00 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.01 2d8k s SER 8 Cb 0.00 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 2d8k s SER 8 CO 0.00 0.09 0.01 -0.13 0.98 0.00 0.00 173.24 174.19 2d8k s ARG 9 N 0.80 2.31 -0.30 4.02 0.52 -1.26 -5.13 118.95 119.91 2d8k s ARG 9 Ca -0.06 -1.43 -0.13 0.00 -0.52 0.00 0.00 55.73 53.59 2d8k s ARG 9 Cb -0.15 -2.17 0.17 0.00 0.52 0.00 0.00 34.95 33.32 2d8k s ARG 9 CO -0.00 0.34 0.94 -1.83 0.02 0.00 0.00 175.30 174.77 2d8k s GLU 10 N -3.69 0.31 -1.23 3.54 1.03 -1.26 -5.09 118.70 112.31 2d8k s GLU 10 Ca 0.32 0.69 -0.16 0.00 0.03 0.00 0.00 54.97 55.85 2d8k s GLU 10 Cb -0.06 0.40 0.13 0.00 -0.80 0.00 0.00 34.13 33.80 2d8k s GLU 10 CO 0.20 -0.20 1.54 -0.80 -1.33 0.00 0.00 175.26 174.68 2d8k s ASN 11 N 2.66 6.94 0.07 0.83 0.01 -1.26 -4.72 114.94 119.46 2d8k s ASN 11 Ca 0.01 -2.69 0.04 0.00 -0.71 0.00 0.00 52.86 49.51 2d8k s ASN 11 Cb -0.09 -2.48 -0.24 0.00 0.41 0.00 0.00 41.25 38.86 2d8k s ASN 11 CO -0.16 -0.95 1.10 -0.07 -1.51 0.00 0.00 177.10 175.50 2d8k h LEU 12 N 10.98 0.14 0.00 0.60 -0.00 -1.80 -3.39 115.31 121.85 2d8k h LEU 12 Ca 0.36 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 2d8k h LEU 12 Cb 0.88 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 2d8k h LEU 12 CO 1.33 1.14 0.00 0.61 -0.00 0.00 0.00 178.44 181.52 2d8k n GLY 13 N 1.46 -1.38 2.95 0.83 0.00 -1.03 -4.37 105.19 103.66 2d8k n GLY 13 Ca -0.07 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 2d8k n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d8k s ARG 14 N 0.00 0.23 -0.10 1.61 1.70 -0.97 -0.05 118.95 121.37 2d8k s ARG 14 Ca 0.00 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 54.85 2d8k s ARG 14 Cb 0.00 0.08 -0.00 0.00 -0.57 0.00 0.00 34.95 34.46 2d8k s ARG 14 CO 0.00 -0.04 -0.22 -1.50 -1.08 0.00 0.00 175.30 172.46 2d8k s ILE 15 N -1.07 2.24 -0.29 4.99 2.07 -0.23 -2.90 121.20 126.01 2d8k s ILE 15 Ca -0.12 -0.96 -0.06 0.00 -1.41 0.00 0.00 60.65 58.10 2d8k s ILE 15 Cb -0.07 -1.87 0.01 0.00 0.13 0.00 0.00 42.46 40.66 2d8k s ILE 15 CO -0.01 0.55 0.06 -1.58 -1.91 0.00 0.00 174.94 172.06 2d8k s GLN 16 N 0.33 3.09 0.16 3.50 0.74 -1.20 -3.31 119.66 122.97 2d8k s GLN 16 Ca -0.17 -0.85 0.07 0.00 0.05 0.00 0.00 55.36 54.46 2d8k s GLN 16 Cb -0.18 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 2d8k s GLN 16 CO 0.08 -0.43 -0.16 -0.59 -0.55 0.00 0.00 175.29 173.65 2d8k s PHE 17 N 1.49 1.65 -0.13 1.67 -0.71 -1.15 -1.94 117.98 118.85 2d8k s PHE 17 Ca 0.02 -0.52 0.02 0.00 -1.04 0.00 0.00 56.93 55.41 2d8k s PHE 17 Cb -0.17 -0.82 -0.00 0.00 -1.21 0.00 0.00 43.02 40.81 2d8k s PHE 17 CO 0.02 0.27 -0.19 -1.54 -1.34 0.00 0.00 175.22 172.44 2d8k s SER 18 N -2.73 3.48 0.25 1.98 1.04 0.10 -1.66 113.70 116.17 2d8k s SER 18 Ca 0.15 -0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.17 2d8k s SER 18 Cb -0.04 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 2d8k s SER 18 CO 0.05 0.13 0.15 0.68 0.98 0.00 0.00 173.24 175.23 2d8k s VAL 19 N 0.52 4.21 0.00 5.02 -7.23 -0.82 -1.12 120.40 120.97 2d8k s VAL 19 Ca -0.12 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2d8k s VAL 19 Cb -0.16 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.51 2d8k s VAL 19 CO 0.05 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2d8k n GLY 20 N -1.07 0.11 3.74 2.32 0.00 -0.95 -2.03 105.19 107.31 2d8k n GLY 20 Ca -0.08 0.70 -0.37 0.00 0.00 0.00 0.00 46.02 46.28 2d8k n GLY 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2d8k s TYR 21 N 0.00 3.49 -0.08 1.61 6.14 -1.23 -1.61 117.35 125.68 2d8k s TYR 21 Ca 0.00 0.67 -0.16 0.00 0.64 0.00 0.00 57.07 58.22 2d8k s TYR 21 Cb 0.00 -2.35 -0.05 0.00 0.42 0.00 0.00 41.96 39.98 2d8k s TYR 21 CO 0.00 0.28 0.40 1.21 0.64 0.00 0.00 175.55 178.08 2d8k s ASN 22 N 0.32 6.67 -0.06 4.32 3.84 0.52 -4.66 114.94 125.89 2d8k s ASN 22 Ca 0.18 0.80 -0.11 0.00 0.21 0.00 0.00 52.86 53.94 2d8k s ASN 22 Cb -0.14 -2.24 -0.07 0.00 -0.55 0.00 0.00 41.25 38.25 2d8k s ASN 22 CO 0.06 0.16 0.44 -0.26 -2.79 0.00 0.00 177.10 174.70 2d8k h PHE 23 N 5.89 -0.28 0.00 0.43 0.04 -1.95 -1.56 116.94 119.51 2d8k h PHE 23 Ca -0.45 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.31 2d8k h PHE 23 Cb 1.19 0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.44 2d8k h PHE 23 CO 0.65 -0.11 0.00 1.04 -0.60 0.00 0.00 178.31 179.29 2d8k n GLN 24 N -4.98 0.00 0.00 1.51 6.02 -1.26 0.63 117.38 119.30 2d8k n GLN 24 Ca -0.05 0.87 0.07 0.00 -0.01 0.00 0.00 57.00 57.89 2d8k n GLN 24 Cb 0.15 -1.43 0.40 0.00 1.02 0.00 0.00 30.24 30.38 2d8k n GLN 24 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2d8k n GLU 25 N -2.62 0.35 -4.37 -1.09 -0.58 -1.26 -4.85 120.64 106.22 2d8k n GLU 25 Ca 0.00 0.07 -0.34 0.00 -0.42 0.00 0.00 57.16 56.46 2d8k n GLU 25 Cb 0.00 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.28 2d8k n GLU 25 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2d8k n SER 26 N -1.12 -0.01 -4.28 1.62 3.41 0.20 -4.92 113.62 108.52 2d8k n SER 26 Ca 0.09 -1.25 -0.19 0.00 -0.26 0.00 0.00 58.87 57.26 2d8k n SER 26 Cb 0.08 -1.69 -0.11 0.00 -0.26 0.00 0.00 64.21 62.23 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d8k s THR 27 N -4.01 1.51 -0.10 6.66 2.01 -0.80 -4.65 115.64 116.26 2d8k s THR 27 Ca 0.26 -1.81 -0.09 0.00 0.31 0.00 0.00 61.69 60.36 2d8k s THR 27 Cb -0.15 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2d8k s THR 27 CO 1.00 -0.39 0.20 -0.22 -0.69 0.00 0.00 174.62 174.52 2d8k s LEU 28 N -2.56 4.39 -0.11 4.42 2.96 -1.22 -0.35 118.68 126.20 2d8k s LEU 28 Ca 0.12 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2d8k s LEU 28 Cb -0.05 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 2d8k s LEU 28 CO 0.04 0.37 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.34 2d8k s THR 29 N -0.93 2.25 -0.31 3.68 2.01 -0.63 -2.39 115.64 119.33 2d8k s THR 29 Ca 0.16 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2d8k s THR 29 Cb -0.13 -1.88 0.10 0.00 0.01 0.00 0.00 72.50 70.60 2d8k s THR 29 CO 0.06 0.55 0.09 -0.69 -0.69 0.00 0.00 174.62 173.94 2d8k s VAL 30 N 0.42 0.97 -0.36 3.82 1.01 -1.23 -2.24 120.40 122.79 2d8k s VAL 30 Ca -0.16 -1.45 -0.16 0.00 0.00 0.00 0.00 61.98 60.22 2d8k s VAL 30 Cb -0.17 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2d8k s VAL 30 CO 0.07 -0.66 0.37 -0.75 0.00 0.00 0.00 175.10 174.13 2d8k s LYS 31 N 1.57 3.42 -0.73 2.72 2.20 -0.28 -3.20 119.74 125.44 2d8k s LYS 31 Ca 0.10 -0.55 -0.22 0.00 -0.36 0.00 0.00 55.97 54.94 2d8k s LYS 31 Cb -0.17 -3.85 0.08 0.00 -1.51 0.00 0.00 37.83 32.37 2d8k s LYS 31 CO -0.24 -0.61 1.05 0.42 -0.36 0.00 0.00 175.35 175.61 2d8k s ILE 32 N 2.01 4.32 0.00 5.43 -1.09 -1.14 0.00 121.20 130.73 2d8k s ILE 32 Ca 0.11 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 2d8k s ILE 32 Cb -0.17 -4.74 0.00 0.00 -1.58 0.00 0.00 42.46 35.97 2d8k s ILE 32 CO 0.12 -1.53 0.72 0.23 -1.23 0.00 0.00 174.94 173.25 2d8k n MET 33 N 7.72 0.00 -3.78 2.79 2.81 -0.82 -0.23 117.12 125.61 2d8k n MET 33 Ca 0.04 0.58 0.02 0.00 -1.81 0.00 0.00 57.70 56.52 2d8k n MET 33 Cb 0.47 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 2d8k n MET 33 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2d8k s LYS 34 N -1.88 0.46 0.12 0.03 0.00 -1.22 -2.22 119.74 115.03 2d8k s LYS 34 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 55.97 55.76 2d8k s LYS 34 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.93 2d8k s LYS 34 CO 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 175.35 175.09 2d8k s ALA 35 N -2.25 3.11 0.03 0.59 0.00 -0.83 -3.23 121.76 119.17 2d8k s ALA 35 Ca 0.21 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2d8k s ALA 35 Cb 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2d8k s ALA 35 CO -0.02 0.61 0.18 -0.65 0.00 0.00 0.00 175.76 175.88 2d8k s GLN 36 N -2.47 0.63 -1.23 0.00 -0.21 -1.14 -4.08 119.66 111.16 2d8k s GLN 36 Ca 0.24 -0.55 -0.00 0.00 0.02 0.00 0.00 55.36 55.07 2d8k s GLN 36 Cb -0.11 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.16 2d8k s GLN 36 CO 0.16 -0.17 0.93 0.39 -2.12 0.00 0.00 175.29 174.48 2d8k n GLU 37 N 0.92 -6.23 -3.67 2.91 1.02 -1.26 -2.30 120.64 112.04 2d8k n GLU 37 Ca -0.20 0.80 -0.37 0.00 -0.02 0.00 0.00 57.16 57.37 2d8k n GLU 37 Cb 0.58 -5.71 -0.10 0.00 -0.02 0.00 0.00 31.44 26.19 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d8k s LEU 38 N -6.44 4.03 0.66 -4.62 1.43 -1.26 -2.45 118.68 110.02 2d8k s LEU 38 Ca 0.01 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 2d8k s LEU 38 Cb -0.00 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2d8k s LEU 38 CO 0.75 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 176.32 2d8k s PRO 39 N 1.24 2.78 0.53 1.29 0.04 -1.26 -4.87 135.00 134.75 2d8k s PRO 39 Ca 0.07 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 2d8k s PRO 39 Cb -0.14 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.57 2d8k s PRO 39 CO 0.06 -1.26 0.72 0.00 0.04 0.00 0.00 177.00 176.56 2d8k n ALA 40 N -2.45 -0.78 0.06 8.56 0.00 -1.26 -4.85 120.51 119.78 2d8k n ALA 40 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2d8k n ALA 40 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2d8k n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2d8k n LYS 41 N -2.52 0.00 -0.35 0.00 4.76 -1.26 -4.81 118.16 113.98 2d8k n LYS 41 Ca 0.09 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.47 2d8k n LYS 41 Cb 0.32 -0.19 0.04 0.00 -1.84 0.00 0.00 35.03 33.35 2d8k n LYS 41 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2d8k n ASP 42 N -3.10 3.64 -3.62 4.39 -0.08 -1.26 -4.82 116.55 111.70 2d8k n ASP 42 Ca 0.00 -2.42 -0.29 0.00 -1.51 0.00 0.00 54.79 50.57 2d8k n ASP 42 Cb 0.10 -0.67 -0.05 0.00 2.34 0.00 0.00 41.12 42.84 2d8k n ASP 42 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2d8k n PHE 43 N 0.27 -0.99 -0.08 -0.67 3.72 -1.26 -4.70 117.46 113.76 2d8k n PHE 43 Ca 0.14 0.46 -0.07 0.00 -0.05 0.00 0.00 57.45 57.92 2d8k n PHE 43 Cb 0.72 -1.35 -0.12 0.00 -0.94 0.00 0.00 39.48 37.79 2d8k n PHE 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2d8k n SER 44 N -1.65 1.21 0.00 4.37 3.41 -1.26 -5.02 113.62 114.67 2d8k n SER 44 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2d8k n SER 44 Cb 0.35 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 2d8k n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 45 N 2.05 1.40 3.17 5.00 0.00 -1.26 -5.11 105.19 110.44 2d8k n GLY 45 Ca -0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2d8k n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d8k s THR 46 N -1.01 0.60 0.31 2.61 -1.32 -1.26 -4.81 115.64 110.77 2d8k s THR 46 Ca 0.00 -1.93 -0.08 0.00 -1.21 0.00 0.00 61.69 58.48 2d8k s THR 46 Cb 0.00 -1.75 0.01 0.00 -1.51 0.00 0.00 72.50 69.25 2d8k s THR 46 CO 0.00 -0.81 0.52 -0.44 -2.21 0.00 0.00 174.62 171.68 2d8k s SER 47 N -3.05 0.42 -0.91 8.08 0.01 -1.26 -4.48 113.70 112.51 2d8k s SER 47 Ca 0.14 -1.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.14 2d8k s SER 47 Cb 0.06 0.66 0.26 0.00 0.21 0.00 0.00 66.02 67.21 2d8k s SER 47 CO -0.04 -1.30 1.03 -0.90 0.41 0.00 0.00 173.24 172.44 2d8k n ASP 48 N -1.04 4.92 -4.77 2.44 5.75 -1.26 -2.02 116.55 120.57 2d8k n ASP 48 Ca -0.01 -3.30 -0.32 0.00 -0.01 0.00 0.00 54.79 51.15 2d8k n ASP 48 Cb 0.61 -1.05 0.07 0.00 -1.03 0.00 0.00 41.12 39.72 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2d8k s PRO 49 N -2.11 2.51 -0.23 0.11 0.04 -1.25 -3.14 135.00 130.93 2d8k s PRO 49 Ca 0.32 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.37 2d8k s PRO 49 Cb 0.02 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2d8k s PRO 49 CO -0.02 -1.46 0.80 -0.59 0.04 0.00 0.00 177.00 175.77 2d8k s PHE 50 N -2.64 -0.68 0.36 0.56 -0.71 -0.48 -3.48 117.98 110.91 2d8k s PHE 50 Ca 0.64 1.56 -0.05 0.00 -1.04 0.00 0.00 56.93 58.04 2d8k s PHE 50 Cb -0.19 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 2d8k s PHE 50 CO 0.49 -0.38 0.63 0.08 -1.34 0.00 0.00 175.22 174.70 2d8k s VAL 51 N 0.01 4.98 -0.04 -2.49 1.01 -1.26 -1.90 120.40 120.72 2d8k s VAL 51 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2d8k s VAL 51 Cb -0.04 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2d8k s VAL 51 CO 0.01 -0.50 0.03 -0.54 0.00 0.00 0.00 175.10 174.10 2d8k s LYS 52 N -3.98 0.08 -0.14 2.72 1.02 0.05 -1.61 119.74 117.87 2d8k s LYS 52 Ca 0.45 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.57 2d8k s LYS 52 Cb -0.10 -0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 36.69 2d8k s LYS 52 CO 0.34 -0.24 0.20 0.42 -0.92 0.00 0.00 175.35 175.16 2d8k s ILE 53 N 1.59 5.38 -0.08 2.17 1.01 0.29 -2.50 121.20 129.05 2d8k s ILE 53 Ca -0.02 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 2d8k s ILE 53 Cb -0.13 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.87 2d8k s ILE 53 CO -0.03 0.50 0.11 -0.31 0.00 0.00 0.00 174.94 175.21 2d8k s TYR 54 N -0.19 -0.04 -1.06 3.97 1.51 -0.67 -1.01 117.35 119.86 2d8k s TYR 54 Ca 0.14 0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 56.36 2d8k s TYR 54 Cb -0.12 -0.41 0.15 0.00 -0.11 0.00 0.00 41.96 41.47 2d8k s TYR 54 CO 0.03 -0.29 1.26 -0.51 -1.11 0.00 0.00 175.55 174.93 2d8k s LEU 55 N 2.23 5.12 0.57 -1.29 1.43 -1.25 -2.20 118.68 123.28 2d8k s LEU 55 Ca 0.04 -2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 50.41 2d8k s LEU 55 Cb -0.13 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2d8k s LEU 55 CO -0.05 -0.89 1.13 -0.76 0.23 0.00 0.00 176.35 176.01 2d8k s LEU 56 N 2.02 3.67 0.16 1.79 1.43 -1.18 -2.09 118.68 124.48 2d8k s LEU 56 Ca 0.37 2.17 -0.09 0.00 -1.03 0.00 0.00 54.13 55.55 2d8k s LEU 56 Cb -0.04 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.62 2d8k s LEU 56 CO -0.05 -1.34 1.50 1.55 0.23 0.00 0.00 176.35 178.24 2d8k h PRO 57 N 0.94 0.85 -4.15 1.29 0.13 -1.91 -2.93 132.00 126.23 2d8k h PRO 57 Ca -0.49 -0.45 -0.56 0.00 -0.87 0.00 0.00 66.00 63.63 2d8k h PRO 57 Cb 1.26 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2d8k h PRO 57 CO 0.56 1.09 0.74 -3.47 -0.23 0.00 0.00 178.00 176.69 2d8k n ASP 58 N -4.05 0.65 -0.08 1.44 -0.08 -0.89 -4.80 116.55 108.74 2d8k n ASP 58 Ca -0.02 0.61 -0.12 0.00 -1.51 0.00 0.00 54.79 53.76 2d8k n ASP 58 Cb 0.54 -0.62 -0.07 0.00 2.34 0.00 0.00 41.12 43.31 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2d8k n LYS 59 N 4.21 0.40 -0.40 -0.67 5.02 -1.26 -3.88 118.16 121.58 2d8k n LYS 59 Ca 0.31 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.62 2d8k n LYS 59 Cb -0.03 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 2d8k n LYS 59 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2d8k n LYS 60 N -3.02 -0.37 -2.76 1.97 2.85 -1.26 -3.20 118.16 112.37 2d8k n LYS 60 Ca -0.29 1.46 -0.42 0.00 -1.05 0.00 0.00 58.31 58.01 2d8k n LYS 60 Cb 0.80 -2.16 -0.03 0.00 -0.65 0.00 0.00 35.03 32.99 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2d8k s HIS 61 N -5.60 2.74 0.18 5.58 2.46 -1.26 -4.99 115.29 114.40 2d8k s HIS 61 Ca -0.12 -0.87 0.10 0.00 0.47 0.00 0.00 55.06 54.64 2d8k s HIS 61 Cb 0.13 -4.45 -0.04 0.00 -0.13 0.00 0.00 32.58 28.09 2d8k s HIS 61 CO 0.62 -1.73 -0.20 -1.59 -2.47 0.00 0.00 174.74 169.37 2d8k s LYS 62 N 4.06 1.37 0.21 2.88 0.00 -1.19 -4.45 119.74 122.62 2d8k s LYS 62 Ca 0.34 -1.47 0.09 0.00 0.00 0.00 0.00 55.97 54.93 2d8k s LYS 62 Cb -0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 37.83 36.21 2d8k s LYS 62 CO -0.02 0.31 -0.16 -1.17 0.00 0.00 0.00 175.35 174.31 2d8k s LEU 63 N -2.72 2.54 0.01 2.77 2.96 -0.18 -5.02 118.68 119.02 2d8k s LEU 63 Ca 0.18 -0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 52.95 2d8k s LEU 63 Cb -0.06 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.87 2d8k s LEU 63 CO 0.08 -0.10 0.33 -0.70 -1.32 0.00 0.00 176.35 174.63 2d8k s GLU 64 N -3.44 0.74 0.13 1.98 -6.30 -1.26 0.10 118.70 110.65 2d8k s GLU 64 Ca 0.22 -0.29 -0.02 0.00 -2.50 0.00 0.00 54.97 52.39 2d8k s GLU 64 Cb -0.03 0.33 -0.05 0.00 0.00 0.00 0.00 34.13 34.39 2d8k s GLU 64 CO 0.08 -0.22 0.32 0.95 0.02 0.00 0.00 175.26 176.41 2d8k s THR 65 N -1.79 5.25 0.98 -1.70 -4.23 -0.63 -4.94 115.64 108.58 2d8k s THR 65 Ca -0.10 -0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 2d8k s THR 65 Cb -0.03 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 2d8k s THR 65 CO 0.02 0.02 -0.25 0.29 -0.54 0.00 0.00 174.62 174.15 2d8k n LYS 66 N -0.04 -0.23 -3.90 3.99 4.76 -1.26 -4.35 118.16 117.13 2d8k n LYS 66 Ca -0.04 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.01 2d8k n LYS 66 Cb 0.52 -1.43 -0.13 0.00 -1.84 0.00 0.00 35.03 32.15 2d8k n LYS 66 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2d8k s VAL 67 N -2.19 2.88 0.26 -0.18 0.11 -1.26 -4.53 120.40 115.48 2d8k s VAL 67 Ca 0.48 -1.90 -0.30 0.00 -2.93 0.00 0.00 61.98 57.34 2d8k s VAL 67 Cb -0.18 -2.89 -0.09 0.00 -1.53 0.00 0.00 36.38 31.69 2d8k s VAL 67 CO 0.74 -0.45 1.14 -0.54 -3.33 0.00 0.00 175.10 172.66 2d8k s LYS 68 N 1.11 4.58 0.23 1.54 -0.14 -1.23 -4.96 119.74 120.88 2d8k s LYS 68 Ca 0.04 1.85 -0.01 0.00 -1.36 0.00 0.00 55.97 56.49 2d8k s LYS 68 Cb -0.21 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 2d8k s LYS 68 CO -0.04 0.10 0.43 1.03 -0.76 0.00 0.00 175.35 176.10 2d8k s ARG 69 N -1.12 3.53 -1.34 1.68 1.81 -1.26 -3.75 118.95 118.50 2d8k s ARG 69 Ca 0.47 -0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 54.11 2d8k s ARG 69 Cb -0.33 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 2d8k s ARG 69 CO 0.41 0.35 0.49 1.63 -0.68 0.00 0.00 175.30 177.50 2d8k n LYS 70 N -0.82 -2.50 -3.25 3.54 5.02 -1.24 -4.96 118.16 113.96 2d8k n LYS 70 Ca -0.04 0.37 0.03 0.00 -2.02 0.00 0.00 58.31 56.65 2d8k n LYS 70 Cb 0.54 -4.25 -0.02 0.00 -0.02 0.00 0.00 35.03 31.28 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2d8k s ASN 71 N -4.12 -0.96 -0.00 4.39 3.04 -0.86 -4.91 114.94 111.53 2d8k s ASN 71 Ca 0.14 0.79 0.07 0.00 0.04 0.00 0.00 52.86 53.90 2d8k s ASN 71 Cb -0.06 1.88 -0.24 0.00 -1.54 0.00 0.00 41.25 41.30 2d8k s ASN 71 CO 0.89 -0.18 0.83 -0.07 -3.04 0.00 0.00 177.10 175.53 2d8k h LEU 72 N 7.92 0.09 -4.44 3.21 3.38 -1.90 -3.36 115.31 120.22 2d8k h LEU 72 Ca -0.18 -0.15 -0.60 0.00 0.09 0.00 0.00 57.88 57.03 2d8k h LEU 72 Cb 1.15 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 41.47 2d8k h LEU 72 CO 0.11 1.13 -0.53 0.59 0.09 0.00 0.00 178.44 179.82 2d8k n ASN 73 N -3.21 5.08 -4.77 -0.43 3.02 -1.26 -4.32 115.26 109.37 2d8k n ASN 73 Ca -0.14 -3.74 -0.32 0.00 -0.03 0.00 0.00 54.58 50.35 2d8k n ASN 73 Cb 1.02 -0.51 0.06 0.00 -0.61 0.00 0.00 39.78 39.74 2d8k n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d8k s PRO 74 N -3.61 2.61 -0.24 3.52 0.04 -1.26 -4.58 135.00 131.48 2d8k s PRO 74 Ca 0.49 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 2d8k s PRO 74 Cb 0.41 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 33.03 2d8k s PRO 74 CO -0.17 -1.39 -0.06 -3.38 0.04 0.00 0.00 177.00 172.05 2d8k s HIS 75 N -2.54 3.03 -0.03 0.56 -3.43 -1.26 -1.97 115.29 109.65 2d8k s HIS 75 Ca 0.65 -1.38 -0.11 0.00 -0.80 0.00 0.00 55.06 53.42 2d8k s HIS 75 Cb -0.19 -2.08 -0.31 0.00 -1.43 0.00 0.00 32.58 28.57 2d8k s HIS 75 CO 0.47 -0.68 0.74 -1.49 -2.00 0.00 0.00 174.74 171.78 2d8k h TRP 76 N 8.05 0.73 -5.43 0.38 6.55 -1.68 -3.47 115.95 121.07 2d8k h TRP 76 Ca -0.35 -0.53 -0.26 0.00 0.95 0.00 0.00 58.89 58.69 2d8k h TRP 76 Cb 1.12 -0.03 -0.16 0.00 -0.86 0.00 0.00 29.16 29.23 2d8k h TRP 76 CO 0.57 1.62 -0.38 0.09 -1.05 0.00 0.00 178.44 179.30 2d8k n ASN 77 N -3.59 -1.18 -4.90 -3.49 4.13 0.69 -4.86 115.26 102.05 2d8k n ASN 77 Ca -0.22 -0.31 -0.28 0.00 1.68 0.00 0.00 54.58 55.44 2d8k n ASN 77 Cb 1.08 -1.09 -0.02 0.00 -1.54 0.00 0.00 39.78 38.21 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2d8k s GLU 78 N -5.21 3.63 -0.19 3.52 0.41 -1.25 -4.88 118.70 114.73 2d8k s GLU 78 Ca 0.35 0.08 0.01 0.00 -0.41 0.00 0.00 54.97 55.00 2d8k s GLU 78 Cb -0.21 -2.56 0.02 0.00 -1.78 0.00 0.00 34.13 29.61 2d8k s GLU 78 CO 0.43 0.09 -0.19 0.99 -0.49 0.00 0.00 175.26 176.10 2d8k s THR 79 N -2.27 2.12 0.33 3.63 2.01 -1.26 -2.89 115.64 117.30 2d8k s THR 79 Ca 0.45 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.54 2d8k s THR 79 Cb -0.10 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 2d8k s THR 79 CO 0.33 0.49 0.36 -0.36 -0.69 0.00 0.00 174.62 174.75 2d8k s PHE 80 N 1.28 3.01 -0.19 4.92 0.40 -1.19 -4.98 117.98 121.22 2d8k s PHE 80 Ca 0.04 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 2d8k s PHE 80 Cb -0.14 -1.85 0.10 0.00 0.51 0.00 0.00 43.02 41.64 2d8k s PHE 80 CO -0.12 0.13 0.31 -0.51 0.70 0.00 0.00 175.22 175.73 2d8k s LEU 81 N -4.06 -0.39 -0.57 -0.37 1.43 -1.26 -3.51 118.68 109.95 2d8k s LEU 81 Ca 0.42 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.63 2d8k s LEU 81 Cb -0.07 0.82 0.11 0.00 0.03 0.00 0.00 46.19 47.07 2d8k s LEU 81 CO 0.28 -0.28 0.65 -0.36 0.23 0.00 0.00 176.35 176.87 2d8k s PHE 82 N 2.46 3.06 -0.10 0.29 0.08 -1.00 -4.94 117.98 117.82 2d8k s PHE 82 Ca 0.06 -1.01 -0.11 0.00 0.12 0.00 0.00 56.93 55.99 2d8k s PHE 82 Cb -0.14 -3.93 -0.05 0.00 -0.57 0.00 0.00 43.02 38.33 2d8k s PHE 82 CO -0.12 -1.22 0.26 -1.21 -0.10 0.00 0.00 175.22 172.83 2d8k s GLU 83 N 2.43 3.83 0.00 0.44 2.02 -1.26 -3.43 118.70 122.73 2d8k s GLU 83 Ca 0.10 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.17 2d8k s GLU 83 Cb -0.25 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.71 2d8k s GLU 83 CO 0.06 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2d8k n GLY 84 N 2.36 1.33 2.82 -1.39 0.00 -1.26 -5.10 105.19 103.96 2d8k n GLY 84 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2d8k n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8k s PHE 85 N -2.00 1.28 0.35 1.61 0.40 -1.26 -5.13 117.98 113.23 2d8k s PHE 85 Ca 0.00 -0.82 -0.27 0.00 -0.60 0.00 0.00 56.93 55.23 2d8k s PHE 85 Cb 0.00 -1.12 -0.09 0.00 0.51 0.00 0.00 43.02 42.32 2d8k s PHE 85 CO 0.00 -0.55 1.21 -1.25 0.70 0.00 0.00 175.22 175.33 2d8k s PRO 86 N 1.77 4.29 0.27 0.24 0.04 -1.26 -4.74 135.00 135.61 2d8k s PRO 86 Ca 0.01 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2d8k s PRO 86 Cb -0.15 -2.94 0.61 0.00 0.04 0.00 0.00 34.50 32.06 2d8k s PRO 86 CO -0.07 -0.16 1.72 -0.92 0.04 0.00 0.00 177.00 177.61 2d8k h TYR 87 N 3.17 0.63 -0.31 0.56 5.03 -1.95 0.60 116.97 124.69 2d8k h TYR 87 Ca -0.48 0.04 0.09 0.00 2.58 0.00 0.00 58.73 60.95 2d8k h TYR 87 Cb 1.23 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.35 2d8k h TYR 87 CO 0.56 0.03 0.39 1.05 -1.32 0.00 0.00 178.16 178.87 2d8k h GLU 88 N 0.46 0.00 0.00 1.82 4.11 -2.02 -2.23 114.58 116.72 2d8k h GLU 88 Ca 0.50 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.61 2d8k h GLU 88 Cb 0.85 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2d8k h GLU 88 CO -0.46 0.00 -1.99 1.63 0.07 0.00 0.00 179.01 178.25 2d8k n LYS 89 N -3.60 0.57 -0.38 1.06 5.02 0.18 -4.32 118.16 116.69 2d8k n LYS 89 Ca 0.05 0.29 0.37 0.00 -2.02 0.00 0.00 58.31 57.00 2d8k n LYS 89 Cb 0.53 -1.51 0.64 0.00 -0.02 0.00 0.00 35.03 34.68 2d8k n LYS 89 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2d8k h VAL 90 N -1.00 0.09 -0.21 -0.18 3.04 -0.38 1.38 116.25 118.98 2d8k h VAL 90 Ca -0.48 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.00 2d8k h VAL 90 Cb 1.40 0.11 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2d8k h VAL 90 CO -0.29 0.00 -0.67 -0.37 -1.01 0.00 0.00 177.57 175.22 2d8k h VAL 91 N 0.00 1.28 0.00 1.51 -1.51 -1.61 -2.94 116.25 112.98 2d8k h VAL 91 Ca 0.63 -1.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2d8k h VAL 91 Cb 2.99 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 33.98 2d8k h VAL 91 CO -0.01 0.60 0.00 0.00 -1.23 0.00 0.00 177.57 176.93 2d8k n GLN 92 N -3.96 0.16 -2.56 5.19 6.02 0.47 -2.57 117.38 120.13 2d8k n GLN 92 Ca -0.06 0.41 -0.24 0.00 -0.01 0.00 0.00 57.00 57.10 2d8k n GLN 92 Cb 0.69 -1.81 0.04 0.00 1.02 0.00 0.00 30.24 30.17 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -3.28 2.71 -0.03 -1.09 1.81 -1.04 -4.89 118.95 113.15 2d8k s ARG 93 Ca 0.04 -0.37 0.06 0.00 -1.72 0.00 0.00 55.73 53.74 2d8k s ARG 93 Cb 0.09 -2.37 -0.01 0.00 -0.45 0.00 0.00 34.95 32.21 2d8k s ARG 93 CO 0.36 -0.71 -0.20 0.42 -0.68 0.00 0.00 175.30 174.48 2d8k s ILE 94 N -2.88 1.64 -0.50 1.52 1.01 -1.10 -3.03 121.20 117.85 2d8k s ILE 94 Ca 0.55 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 2d8k s ILE 94 Cb -0.10 -1.38 0.03 0.00 0.01 0.00 0.00 42.46 41.02 2d8k s ILE 94 CO 0.42 0.47 1.10 -0.22 0.00 0.00 0.00 174.94 176.70 2d8k s LEU 95 N -0.32 3.69 -0.31 2.97 2.96 0.77 -3.13 118.68 125.30 2d8k s LEU 95 Ca 0.04 0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.15 2d8k s LEU 95 Cb -0.10 -3.38 -0.00 0.00 0.50 0.00 0.00 46.19 43.21 2d8k s LEU 95 CO 0.00 -1.26 0.14 -0.47 -1.32 0.00 0.00 176.35 173.44 2d8k s TYR 96 N 4.41 3.17 -0.08 5.38 5.04 -0.93 -1.60 117.35 132.73 2d8k s TYR 96 Ca 0.44 -0.64 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 2d8k s TYR 96 Cb -0.08 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.88 2d8k s TYR 96 CO 0.29 -0.47 -0.19 -0.51 -1.34 0.00 0.00 175.55 173.33 2d8k s LEU 97 N 1.59 2.40 0.01 6.97 1.43 -0.25 -1.66 118.68 129.18 2d8k s LEU 97 Ca 0.04 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2d8k s LEU 97 Cb -0.17 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2d8k s LEU 97 CO 0.06 0.24 -0.02 -1.58 0.23 0.00 0.00 176.35 175.27 2d8k s GLN 98 N -0.11 0.20 -0.32 1.70 0.74 -1.04 0.52 119.66 121.36 2d8k s GLN 98 Ca -0.04 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.15 2d8k s GLN 98 Cb -0.14 -0.08 0.08 0.00 1.10 0.00 0.00 33.01 33.97 2d8k s GLN 98 CO 0.04 0.02 0.02 0.08 -0.55 0.00 0.00 175.29 174.89 2d8k s VAL 99 N -0.48 2.44 0.45 1.34 1.01 -0.70 -0.77 120.40 123.69 2d8k s VAL 99 Ca -0.04 -2.01 0.02 0.00 0.00 0.00 0.00 61.98 59.96 2d8k s VAL 99 Cb -0.04 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2d8k s VAL 99 CO -0.00 -0.39 0.19 0.18 0.00 0.00 0.00 175.10 175.08 2d8k n LEU 100 N 4.38 0.00 -4.03 3.92 4.32 -0.80 -2.74 117.00 122.05 2d8k n LEU 100 Ca -0.04 -2.54 -0.27 0.00 -0.02 0.00 0.00 56.01 53.14 2d8k n LEU 100 Cb 0.42 0.11 -0.17 0.00 -1.62 0.00 0.00 43.42 42.17 2d8k n LEU 100 CO 0.23 -0.47 -0.48 -0.62 -1.22 0.00 0.00 177.39 174.84 2d8k s ASP 101 N -3.57 2.23 -0.23 -1.43 2.15 -1.25 -1.38 116.67 113.19 2d8k s ASP 101 Ca 0.15 -0.38 -0.29 0.00 0.43 0.00 0.00 52.55 52.46 2d8k s ASP 101 Cb -0.01 -0.99 -0.03 0.00 -0.30 0.00 0.00 42.92 41.59 2d8k s ASP 101 CO 0.09 0.01 1.67 -0.47 -0.17 0.00 0.00 175.17 176.30 2d8k s TYR 102 N 0.96 2.01 0.20 -5.34 5.04 -1.19 -4.38 117.35 114.65 2d8k s TYR 102 Ca -0.08 0.52 0.07 0.00 -2.44 0.00 0.00 57.07 55.14 2d8k s TYR 102 Cb -0.15 -4.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.11 2d8k s TYR 102 CO -0.00 -3.07 0.04 0.16 -1.34 0.00 0.00 175.55 171.34 2d8k s ASP 103 N 4.61 4.91 0.29 4.32 1.47 -1.26 -4.87 116.67 126.14 2d8k s ASP 103 Ca 0.74 -0.40 0.03 0.00 1.18 0.00 0.00 52.55 54.11 2d8k s ASP 103 Cb -0.25 -1.08 0.67 0.00 -0.34 0.00 0.00 42.92 41.92 2d8k s ASP 103 CO 0.30 0.05 1.76 0.08 0.68 0.00 0.00 175.17 178.05 2d8k h ARG 104 N 2.35 0.65 0.00 2.11 0.11 -2.04 -3.42 114.38 114.13 2d8k h ARG 104 Ca -0.47 -0.04 -0.31 0.00 0.10 0.00 0.00 59.98 59.26 2d8k h ARG 104 Cb 1.22 -0.15 0.05 0.00 1.11 0.00 0.00 29.97 32.20 2d8k h ARG 104 CO 0.59 0.43 0.05 1.19 0.10 0.00 0.00 179.97 182.33 2d8k n PHE 105 N -4.84 -2.94 -0.56 4.08 3.72 -1.26 -4.97 117.46 110.69 2d8k n PHE 105 Ca 0.21 -1.24 -0.12 0.00 -0.05 0.00 0.00 57.45 56.25 2d8k n PHE 105 Cb 0.54 -0.46 0.04 0.00 -0.94 0.00 0.00 39.48 38.66 2d8k n PHE 105 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2d8k n SER 106 N -2.84 5.47 0.04 4.37 7.64 -1.26 -4.29 113.62 122.75 2d8k n SER 106 Ca 0.11 -2.84 -0.20 0.00 1.01 0.00 0.00 58.87 56.95 2d8k n SER 106 Cb 0.40 -0.96 -0.11 0.00 -1.01 0.00 0.00 64.21 62.53 2d8k n SER 106 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2d8k h ARG 107 N 1.12 0.68 -5.24 1.43 3.08 -1.93 -3.46 114.38 110.05 2d8k h ARG 107 Ca 0.23 -0.74 -0.19 0.00 0.07 0.00 0.00 59.98 59.36 2d8k h ARG 107 Cb 1.13 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 31.27 2d8k h ARG 107 CO 0.55 1.31 -0.27 0.09 -1.07 0.00 0.00 179.97 180.58 2d8k n ASN 108 N -3.89 -1.12 -4.45 7.04 3.02 -1.26 -4.58 115.26 110.02 2d8k n ASN 108 Ca -0.11 -0.09 -0.44 0.00 -0.03 0.00 0.00 54.58 53.91 2d8k n ASN 108 Cb 0.87 -1.05 -0.14 0.00 -0.61 0.00 0.00 39.78 38.84 2d8k n ASN 108 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2d8k n ASP 109 N -1.56 0.38 -4.67 6.41 5.68 -1.26 -4.66 116.55 116.86 2d8k n ASP 109 Ca 0.04 0.27 -0.42 0.00 -0.50 0.00 0.00 54.79 54.17 2d8k n ASP 109 Cb 0.42 -0.92 -0.03 0.00 -1.14 0.00 0.00 41.12 39.46 2d8k n ASP 109 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2d8k s PRO 110 N 8.44 4.23 -0.07 0.11 0.04 -1.26 -3.87 135.00 142.62 2d8k s PRO 110 Ca 1.33 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 64.35 2d8k s PRO 110 Cb -1.30 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 29.47 2d8k s PRO 110 CO 0.52 -0.70 0.14 0.82 0.04 0.00 0.00 177.00 177.82 2d8k h ILE 111 N 5.24 0.00 -4.02 0.56 2.04 -1.83 -3.42 117.51 116.08 2d8k h ILE 111 Ca -0.36 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 64.59 2d8k h ILE 111 Cb 1.17 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.12 2d8k h ILE 111 CO 0.93 0.00 -0.39 -0.83 0.00 0.00 0.00 178.15 177.86 2d8k s GLY 112 N -3.20 0.64 0.08 5.37 0.00 -1.19 -2.86 107.32 106.16 2d8k s GLY 112 Ca -0.02 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 2d8k s GLY 112 CO 0.05 -0.96 0.14 -1.83 0.00 0.00 0.00 173.10 170.50 2d8k s GLU 113 N -4.00 0.78 -0.02 2.90 -1.05 -0.84 -1.71 118.70 114.76 2d8k s GLU 113 Ca 0.20 -1.00 -0.09 0.00 -0.15 0.00 0.00 54.97 53.93 2d8k s GLU 113 Cb 0.04 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 2d8k s GLU 113 CO 0.02 -0.23 0.19 0.08 0.95 0.00 0.00 175.26 176.27 2d8k s VAL 114 N -3.78 0.06 -0.03 1.83 1.01 0.19 -2.27 120.40 117.41 2d8k s VAL 114 Ca 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2d8k s VAL 114 Cb 0.05 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 36.00 2d8k s VAL 114 CO -0.10 -0.28 -0.02 -0.44 0.00 0.00 0.00 175.10 174.26 2d8k s SER 115 N -1.09 0.54 -0.15 3.32 0.01 -1.26 -1.09 113.70 113.98 2d8k s SER 115 Ca -0.12 -0.06 -0.06 0.00 1.31 0.00 0.00 55.95 57.02 2d8k s SER 115 Cb -0.06 -0.26 0.07 0.00 0.21 0.00 0.00 66.02 65.98 2d8k s SER 115 CO 0.02 -0.07 0.34 -0.63 0.41 0.00 0.00 173.24 173.31 2d8k s ILE 116 N 0.84 -0.33 0.15 1.44 1.01 -0.63 -5.01 121.20 118.68 2d8k s ILE 116 Ca -0.09 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 2d8k s ILE 116 Cb -0.12 -0.53 -0.08 0.00 0.01 0.00 0.00 42.46 41.73 2d8k s ILE 116 CO -0.01 0.08 1.34 -2.16 0.00 0.00 0.00 174.94 174.18 2d8k s PRO 117 N 2.04 4.36 0.50 2.79 0.04 -1.26 -0.16 135.00 143.31 2d8k s PRO 117 Ca -0.04 2.04 0.29 0.00 0.04 0.00 0.00 61.00 63.33 2d8k s PRO 117 Cb -0.11 -3.23 0.94 0.00 0.04 0.00 0.00 34.50 32.14 2d8k s PRO 117 CO -0.11 -0.34 1.83 -0.07 0.04 0.00 0.00 177.00 178.36 2d8k h LEU 118 N 6.14 0.00 -0.95 -3.56 3.38 -1.73 -2.86 115.31 115.72 2d8k h LEU 118 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2d8k h LEU 118 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2d8k h LEU 118 CO 0.82 0.00 0.00 -1.13 0.09 0.00 0.00 178.44 178.22 2d8k h ASN 119 N 0.00 0.00 0.13 -0.43 -0.73 -1.70 -3.07 115.58 109.78 2d8k h ASN 119 Ca 0.00 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.82 2d8k h ASN 119 Cb 0.72 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.29 2d8k h ASN 119 CO 0.00 0.00 -1.88 0.11 -0.37 0.00 0.00 177.43 175.29 2d8k h LYS 120 N 0.00 0.27 -6.60 6.67 1.79 -1.82 -3.46 116.57 113.41 2d8k h LYS 120 Ca 0.00 -0.46 -0.52 0.00 -2.18 0.00 0.00 60.65 57.49 2d8k h LYS 120 Cb 0.46 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2d8k h LYS 120 CO 0.00 1.22 0.45 0.54 -1.08 0.00 0.00 179.45 180.58 2d8k s VAL 121 N -2.54 4.11 -1.26 0.50 0.11 -1.16 -4.94 120.40 115.22 2d8k s VAL 121 Ca -0.22 1.75 -0.20 0.00 -2.93 0.00 0.00 61.98 60.39 2d8k s VAL 121 Cb 0.06 -4.12 0.01 0.00 -1.53 0.00 0.00 36.38 30.81 2d8k s VAL 121 CO 0.77 0.27 1.81 0.47 -3.33 0.00 0.00 175.10 175.09 2d8k n ASP 122 N 2.72 4.28 -0.08 3.54 8.00 -1.26 -4.76 116.55 128.97 2d8k n ASP 122 Ca 0.03 -2.84 0.26 0.00 0.71 0.00 0.00 54.79 52.95 2d8k n ASP 122 Cb 0.47 -1.74 0.69 0.00 -0.02 0.00 0.00 41.12 40.52 2d8k n ASP 122 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d8k h LEU 123 N 14.35 0.00 -1.18 0.64 3.38 -1.92 -2.01 115.31 128.57 2d8k h LEU 123 Ca 0.37 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.72 2d8k h LEU 123 Cb 0.89 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 2d8k h LEU 123 CO 1.38 0.00 0.79 0.35 0.09 0.00 0.00 178.44 181.06 2d8k n THR 124 N -3.76 -0.13 -4.11 0.22 -2.24 -1.26 -3.50 114.28 99.49 2d8k n THR 124 Ca 0.15 1.29 -0.08 0.00 -2.27 0.00 0.00 64.05 63.14 2d8k n THR 124 Cb 0.97 -2.12 -0.10 0.00 -2.10 0.00 0.00 70.33 66.98 2d8k n THR 124 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2d8k s GLN 125 N -4.71 0.72 0.06 -0.78 -0.21 -0.76 -4.95 119.66 109.03 2d8k s GLN 125 Ca -0.05 -1.30 -0.31 0.00 0.02 0.00 0.00 55.36 53.73 2d8k s GLN 125 Cb 0.22 0.20 -0.06 0.00 1.00 0.00 0.00 33.01 34.37 2d8k s GLN 125 CO 0.63 -0.15 1.36 1.41 -2.12 0.00 0.00 175.29 176.42 2d8k s MET 126 N -3.96 4.33 -0.02 2.91 -2.45 -1.26 -4.65 119.30 114.21 2d8k s MET 126 Ca 0.13 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.54 2d8k s MET 126 Cb 0.08 -3.40 0.02 0.00 1.25 0.00 0.00 34.83 32.78 2d8k s MET 126 CO -0.06 -0.46 0.02 -0.65 1.05 0.00 0.00 175.02 174.92 2d8k s GLN 127 N 1.63 -0.01 0.56 4.11 -1.52 -0.86 -4.98 119.66 118.58 2d8k s GLN 127 Ca 0.63 0.14 -0.04 0.00 -1.95 0.00 0.00 55.36 54.15 2d8k s GLN 127 Cb -0.33 -0.21 0.01 0.00 -0.22 0.00 0.00 33.01 32.26 2d8k s GLN 127 CO 0.28 -0.13 0.84 0.99 -0.25 0.00 0.00 175.29 177.02 2d8k s THR 128 N 0.84 3.59 -0.04 -0.19 2.01 -1.26 -1.95 115.64 118.64 2d8k s THR 128 Ca -0.07 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2d8k s THR 128 Cb -0.10 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.02 2d8k s THR 128 CO -0.02 -0.37 0.17 -0.36 -0.69 0.00 0.00 174.62 173.35 2d8k s PHE 129 N -2.87 -0.11 -0.30 4.92 0.08 -0.66 -4.97 117.98 114.07 2d8k s PHE 129 Ca 0.53 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.83 2d8k s PHE 129 Cb -0.10 0.02 0.09 0.00 -0.57 0.00 0.00 43.02 42.46 2d8k s PHE 129 CO 0.43 -0.17 0.06 -1.58 -0.10 0.00 0.00 175.22 173.85 2d8k s TRP 130 N -0.50 2.21 0.11 0.36 0.52 -1.26 -2.94 118.94 117.44 2d8k s TRP 130 Ca -0.06 -1.94 0.09 0.00 0.02 0.00 0.00 56.10 54.21 2d8k s TRP 130 Cb -0.04 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2d8k s TRP 130 CO 0.01 -0.86 -0.23 0.15 0.02 0.00 0.00 176.95 176.04 2d8k s LYS 131 N 1.45 1.25 -0.59 4.98 -0.14 -1.21 -4.99 119.74 120.49 2d8k s LYS 131 Ca 0.07 -1.23 -0.23 0.00 -1.36 0.00 0.00 55.97 53.22 2d8k s LYS 131 Cb -0.18 -1.61 0.06 0.00 -1.68 0.00 0.00 37.83 34.42 2d8k s LYS 131 CO -0.17 0.38 0.91 0.16 -0.76 0.00 0.00 175.35 175.86 2d8k s ASP 132 N -1.94 6.25 -0.71 2.83 1.47 -1.26 -1.07 116.67 122.24 2d8k s ASP 132 Ca 0.10 -0.70 -0.19 0.00 1.18 0.00 0.00 52.55 52.93 2d8k s ASP 132 Cb -0.10 -2.41 -0.17 0.00 -0.34 0.00 0.00 42.92 39.90 2d8k s ASP 132 CO 0.05 -1.27 1.84 0.18 0.68 0.00 0.00 175.17 176.64 2d8k n LEU 133 N 7.38 -0.03 -4.51 2.11 4.77 0.93 -4.80 117.00 122.86 2d8k n LEU 133 Ca -0.02 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.66 2d8k n LEU 133 Cb 0.46 -0.60 0.13 0.00 -2.33 0.00 0.00 43.42 41.08 2d8k n LEU 133 CO 0.62 -0.61 0.19 0.29 -1.33 0.00 0.00 177.39 176.56 2d8k n LYS 134 N 5.61 -0.24 -2.04 3.23 4.76 -0.96 -4.44 118.16 124.08 2d8k n LYS 134 Ca 0.47 -0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.54 2d8k n LYS 134 Cb 0.04 -2.04 -0.04 0.00 -1.84 0.00 0.00 35.03 31.15 2d8k n LYS 134 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2d8k s PRO 135 N -3.86 2.60 0.12 1.97 0.04 -1.26 -1.98 135.00 132.63 2d8k s PRO 135 Ca 0.62 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 2d8k s PRO 135 Cb -0.23 -4.56 -0.08 0.00 0.04 0.00 0.00 34.50 29.67 2d8k s PRO 135 CO 0.63 -2.90 1.43 -1.54 0.04 0.00 0.00 177.00 174.66 2d8k s SER 136 N 8.11 6.78 0.07 6.66 1.04 -1.13 -4.91 113.70 130.32 2d8k s SER 136 Ca 0.68 2.37 -0.06 0.00 0.48 0.00 0.00 55.95 59.43 2d8k s SER 136 Cb -0.11 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 2d8k s SER 136 CO 0.15 -0.69 0.33 -0.83 0.98 0.00 0.00 173.24 173.18 2d8k s GLY 137 N 1.18 2.26 0.00 7.32 0.00 -1.26 -4.84 107.32 111.97 2d8k s GLY 137 Ca 0.66 -0.56 0.14 0.00 0.00 0.00 0.00 44.72 44.96 2d8k s GLY 137 CO 0.30 -0.42 1.43 -1.55 0.00 0.00 0.00 173.10 172.86 2d8k n PRO 138 N 0.63 0.10 -0.94 2.90 -0.04 -1.26 -4.88 135.00 131.51 2d8k n PRO 138 Ca -0.07 0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 2d8k n PRO 138 Cb 0.52 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2d8k n PRO 138 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d8k n SER 139 N -1.39 -3.25 -3.76 3.54 3.41 -1.26 -4.99 113.62 105.92 2d8k n SER 139 Ca 0.05 0.44 -0.21 0.00 -0.26 0.00 0.00 58.87 58.89 2d8k n SER 139 Cb 0.14 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2d8k n SER 139 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d8k s SER 140 N -0.79 2.03 0.00 4.04 0.15 -1.26 -5.23 113.70 112.65 2d8k s SER 140 Ca 0.42 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 55.38 2d8k s SER 140 Cb -0.34 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2d8k s SER 140 CO 0.55 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.61