#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2d s GLU 2 N 0.00 3.38 -0.01 0.38 1.03 -1.26 -5.10 118.70 117.12 1k2d s GLU 2 Ca 0.00 -0.42 -0.29 0.00 0.03 0.00 0.00 54.97 54.28 1k2d s GLU 2 Cb 0.00 -3.03 0.10 0.00 -0.80 0.00 0.00 34.13 30.41 1k2d s GLU 2 CO 0.00 0.63 1.02 0.00 -1.33 0.00 0.00 175.26 175.58 1k2d s ALA 3 N -1.43 -1.89 -0.09 -0.84 0.00 -1.26 -5.03 121.76 111.22 1k2d s ALA 3 Ca 0.32 0.89 0.14 0.00 0.00 0.00 0.00 51.96 53.31 1k2d s ALA 3 Cb -0.13 0.35 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 1k2d s ALA 3 CO 0.24 -0.79 1.13 -0.44 0.00 0.00 0.00 175.76 175.89 1k2d h ASP 4 N 2.00 0.00 -5.16 0.00 5.19 -2.09 -3.47 116.42 112.90 1k2d h ASP 4 Ca -0.21 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.13 1k2d h ASP 4 Cb 1.22 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.60 1k2d h ASP 4 CO 0.28 0.66 -0.23 -1.00 -3.12 0.00 0.00 179.24 175.82 1k2d s HIS 5 N -2.87 0.09 -0.11 4.55 3.76 -1.26 -5.09 115.29 114.35 1k2d s HIS 5 Ca 0.00 -0.47 -0.05 0.00 -0.15 0.00 0.00 55.06 54.40 1k2d s HIS 5 Cb 0.08 0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.91 1k2d s HIS 5 CO 0.79 -0.68 0.24 0.08 -0.85 0.00 0.00 174.74 174.32 1k2d s VAL 6 N -3.88 -0.29 -0.09 -0.90 1.01 -1.26 -5.01 120.40 109.98 1k2d s VAL 6 Ca 0.08 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1k2d s VAL 6 Cb 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 1k2d s VAL 6 CO -0.07 0.11 -0.24 -0.83 0.00 0.00 0.00 175.10 174.07 1k2d s GLY 7 N 2.07 1.33 -0.48 4.51 0.00 -1.26 -0.45 107.32 113.04 1k2d s GLY 7 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.72 1k2d s GLY 7 CO -0.08 -0.39 0.25 -0.56 0.00 0.00 0.00 173.10 172.31 1k2d s SER 8 N 0.24 4.92 -1.07 1.64 0.01 -0.03 -5.00 113.70 114.41 1k2d s SER 8 Ca -0.16 -2.51 -0.14 0.00 1.31 0.00 0.00 55.95 54.46 1k2d s SER 8 Cb -0.17 -1.75 0.20 0.00 0.21 0.00 0.00 66.02 64.51 1k2d s SER 8 CO 0.08 -0.39 1.19 -0.31 0.41 0.00 0.00 173.24 174.22 1k2d s TYR 9 N 0.43 3.65 0.00 2.43 2.02 -1.26 -1.55 117.35 123.07 1k2d s TYR 9 Ca 0.13 -2.10 0.00 0.00 -0.37 0.00 0.00 57.07 54.74 1k2d s TYR 9 Cb -0.22 -4.12 0.00 0.00 -0.40 0.00 0.00 41.96 37.22 1k2d s TYR 9 CO -0.04 -1.25 0.00 0.41 -1.57 0.00 0.00 175.55 173.10 1k2d n GLY 9 N 4.04 0.85 3.70 0.71 0.00 -1.15 -5.04 105.19 108.30 1k2d n GLY 9 Ca 0.28 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1k2d n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k2d s ILE 10 N -0.23 4.09 -0.08 -0.61 1.01 0.18 -4.89 121.20 120.68 1k2d s ILE 10 Ca 0.00 1.46 0.04 0.00 0.00 0.00 0.00 60.65 62.16 1k2d s ILE 10 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 1k2d s ILE 10 CO 0.00 0.04 -0.21 -0.69 0.00 0.00 0.00 174.94 174.08 1k2d s VAL 11 N 1.81 2.39 -0.06 2.92 1.01 -1.26 -1.76 120.40 125.46 1k2d s VAL 11 Ca 0.58 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1k2d s VAL 11 Cb -0.27 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1k2d s VAL 11 CO 0.25 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 175.14 1k2d s VAL 12 N -0.06 0.86 -0.11 2.92 1.01 -0.75 -5.00 120.40 119.27 1k2d s VAL 12 Ca -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1k2d s VAL 12 Cb -0.14 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1k2d s VAL 12 CO 0.05 0.30 0.01 -0.47 0.00 0.00 0.00 175.10 174.98 1k2d s TYR 13 N 0.81 0.77 0.28 5.22 5.04 -1.26 -1.53 117.35 126.68 1k2d s TYR 13 Ca -0.12 -0.36 0.12 0.00 -2.44 0.00 0.00 57.07 54.26 1k2d s TYR 13 Cb -0.15 -0.87 -0.05 0.00 0.35 0.00 0.00 41.96 41.24 1k2d s TYR 13 CO 0.02 -0.41 -0.19 -1.14 -1.34 0.00 0.00 175.55 172.48 1k2d s GLN 14 N 1.94 1.68 0.04 4.97 0.74 0.39 -4.95 119.66 124.46 1k2d s GLN 14 Ca 0.03 -1.77 -0.10 0.00 0.05 0.00 0.00 55.36 53.57 1k2d s GLN 14 Cb -0.14 -1.75 0.01 0.00 1.10 0.00 0.00 33.01 32.23 1k2d s GLN 14 CO -0.06 0.32 0.21 -1.54 -0.55 0.00 0.00 175.29 173.67 1k2d s SER 15 N -3.51 0.01 0.91 6.67 1.04 -1.26 -1.95 113.70 115.61 1k2d s SER 15 Ca 0.30 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 1k2d s SER 15 Cb -0.04 0.30 0.14 0.00 0.10 0.00 0.00 66.02 66.51 1k2d s SER 15 CO 0.15 -0.57 1.09 -2.16 0.98 0.00 0.00 173.24 172.73 1k2d s PRO 16 N -2.61 1.16 0.00 4.02 0.04 -1.26 -4.99 135.00 131.36 1k2d s PRO 16 Ca -0.05 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1k2d s PRO 16 Cb -0.01 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1k2d s PRO 16 CO -0.04 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.12 1k2d n GLY 17 N -1.21 2.23 3.40 0.56 0.00 -1.26 -4.59 105.19 104.31 1k2d n GLY 17 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1k2d n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k2d n ASP 18 N 0.00 -5.31 -4.60 1.61 8.00 -1.12 -4.90 116.55 110.23 1k2d n ASP 18 Ca 0.00 -0.46 -0.43 0.00 0.71 0.00 0.00 54.79 54.61 1k2d n ASP 18 Cb 0.00 -4.28 -0.03 0.00 -0.02 0.00 0.00 41.12 36.80 1k2d n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1k2d s ILE 19 N -3.17 4.38 0.10 0.53 1.01 -0.82 -4.89 121.20 118.34 1k2d s ILE 19 Ca 0.46 1.27 0.06 0.00 0.00 0.00 0.00 60.65 62.44 1k2d s ILE 19 Cb -0.22 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.73 1k2d s ILE 19 CO 0.56 -0.78 -0.16 -0.83 0.00 0.00 0.00 174.94 173.73 1k2d s GLY 20 N 2.14 1.05 -0.02 6.18 0.00 -1.26 -0.46 107.32 114.96 1k2d s GLY 20 Ca 0.44 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1k2d s GLY 20 CO 0.25 -1.22 -0.09 1.62 0.00 0.00 0.00 173.10 173.66 1k2d s GLN 21 N -2.16 0.83 -0.17 2.90 0.74 -0.59 -4.96 119.66 116.25 1k2d s GLN 21 Ca 0.05 -0.31 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 1k2d s GLN 21 Cb -0.08 -0.79 0.04 0.00 1.10 0.00 0.00 33.01 33.28 1k2d s GLN 21 CO 0.03 0.16 -0.05 -0.47 -0.55 0.00 0.00 175.29 174.41 1k2d s TYR 22 N -0.03 1.64 0.14 1.67 5.04 -1.26 -1.81 117.35 122.74 1k2d s TYR 22 Ca 0.01 -1.05 0.05 0.00 -2.44 0.00 0.00 57.07 53.63 1k2d s TYR 22 Cb -0.06 -1.29 -0.04 0.00 0.35 0.00 0.00 41.96 40.93 1k2d s TYR 22 CO -0.00 -0.61 -0.11 0.95 -1.34 0.00 0.00 175.55 174.44 1k2d s THR 23 N 1.65 1.18 -0.14 4.34 -4.23 -0.72 -1.47 115.64 116.25 1k2d s THR 23 Ca 0.01 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1k2d s THR 23 Cb -0.15 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 71.99 1k2d s THR 23 CO -0.08 -0.65 -0.21 -0.36 -0.54 0.00 0.00 174.62 172.78 1k2d s PHE 24 N -2.94 2.61 0.13 3.99 0.40 -0.93 -0.64 117.98 120.60 1k2d s PHE 24 Ca 0.14 -1.33 0.11 0.00 -0.60 0.00 0.00 56.93 55.24 1k2d s PHE 24 Cb 0.00 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1k2d s PHE 24 CO 0.01 -0.62 -0.25 -1.21 0.70 0.00 0.00 175.22 173.86 1k2d s GLU 25 N 0.87 1.50 -0.13 0.44 2.02 -0.60 -0.49 118.70 122.31 1k2d s GLU 25 Ca -0.06 -1.33 -0.05 0.00 0.02 0.00 0.00 54.97 53.55 1k2d s GLU 25 Cb -0.15 -1.94 0.07 0.00 0.10 0.00 0.00 34.13 32.20 1k2d s GLU 25 CO -0.03 0.45 0.26 0.12 0.02 0.00 0.00 175.26 176.09 1k2d s PHE 26 N -1.15 -0.42 -1.48 1.61 5.36 -0.35 -0.85 117.98 120.70 1k2d s PHE 26 Ca 0.16 0.96 -0.05 0.00 -0.96 0.00 0.00 56.93 57.03 1k2d s PHE 26 Cb -0.10 -0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.56 1k2d s PHE 26 CO 0.07 -0.36 0.54 -0.25 -1.46 0.00 0.00 175.22 173.76 1k2d n ASP 27 N 5.35 -5.45 0.00 6.13 8.00 0.40 -2.06 116.55 128.92 1k2d n ASP 27 Ca -0.06 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1k2d n ASP 27 Cb 0.50 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 1k2d n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k2d n GLY 28 N -1.39 0.86 3.63 0.44 0.00 -1.26 -5.03 105.19 102.44 1k2d n GLY 28 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1k2d n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k2d s ASP 29 N -2.83 4.55 -0.23 1.61 1.01 -0.87 -5.09 116.67 114.81 1k2d s ASP 29 Ca 0.00 -0.54 -0.19 0.00 0.71 0.00 0.00 52.55 52.53 1k2d s ASP 29 Cb 0.00 -0.87 -0.03 0.00 1.01 0.00 0.00 42.92 43.03 1k2d s ASP 29 CO 0.00 0.06 0.55 -0.70 0.21 0.00 0.00 175.17 175.28 1k2d s GLU 30 N -3.21 4.13 -0.08 8.23 2.12 -1.26 -1.21 118.70 127.41 1k2d s GLU 30 Ca 0.28 0.42 -0.26 0.00 0.36 0.00 0.00 54.97 55.77 1k2d s GLU 30 Cb -0.08 -3.62 -0.25 0.00 0.26 0.00 0.00 34.13 30.44 1k2d s GLU 30 CO 0.18 -0.29 0.94 -0.07 -0.54 0.00 0.00 175.26 175.49 1k2d h LEU 31 N 8.48 0.16 -7.92 2.70 3.38 -1.13 -3.40 115.31 117.58 1k2d h LEU 31 Ca -0.30 -0.86 0.28 0.00 0.09 0.00 0.00 57.88 57.10 1k2d h LEU 31 Cb 1.14 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1k2d h LEU 31 CO 0.74 1.00 0.80 0.72 0.09 0.00 0.00 178.44 181.79 1k2d s PHE 32 N -2.80 0.04 0.05 1.13 -0.12 -1.17 -1.71 117.98 113.39 1k2d s PHE 32 Ca -0.17 -0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 56.44 1k2d s PHE 32 Cb -0.00 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.96 1k2d s PHE 32 CO 0.73 -0.48 0.02 1.52 -0.05 0.00 0.00 175.22 176.96 1k2d s TYR 33 N -2.09 0.37 -0.20 3.49 -0.85 -1.09 -2.18 117.35 114.80 1k2d s TYR 33 Ca 0.26 -0.80 -0.08 0.00 -0.52 0.00 0.00 57.07 55.93 1k2d s TYR 33 Cb -0.01 -0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 1k2d s TYR 33 CO 0.01 -0.36 0.09 0.08 -1.52 0.00 0.00 175.55 173.84 1k2d s VAL 34 N -3.23 4.93 -0.49 -3.49 1.01 -0.54 -0.76 120.40 117.82 1k2d s VAL 34 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1k2d s VAL 34 Cb 0.03 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1k2d s VAL 34 CO -0.07 0.43 1.26 -0.62 0.00 0.00 0.00 175.10 176.09 1k2d s ASP 35 N 0.58 6.45 0.21 3.32 -1.08 0.30 -4.63 116.67 121.82 1k2d s ASP 35 Ca 0.05 0.46 -0.08 0.00 -0.52 0.00 0.00 52.55 52.46 1k2d s ASP 35 Cb -0.13 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 38.93 1k2d s ASP 35 CO 0.01 -1.41 1.72 -0.07 0.52 0.00 0.00 175.17 175.94 1k2d h LEU 36 N 11.88 1.05 -0.55 -1.34 3.38 -1.93 0.87 115.31 128.67 1k2d h LEU 36 Ca -0.25 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.34 1k2d h LEU 36 Cb 1.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1k2d h LEU 36 CO 1.14 1.02 -0.44 0.44 0.09 0.00 0.00 178.44 180.68 1k2d h ASP 37 N 1.05 0.71 0.22 -0.43 3.32 -1.98 -3.16 116.42 116.17 1k2d h ASP 37 Ca 0.22 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1k2d h ASP 37 Cb 0.39 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1k2d h ASP 37 CO 0.00 1.06 -0.58 0.29 -1.72 0.00 0.00 179.24 178.29 1k2d n LYS 38 N -4.02 0.36 -3.63 3.56 5.02 -1.14 -4.97 118.16 113.35 1k2d n LYS 38 Ca -0.02 -0.26 -0.23 0.00 -2.02 0.00 0.00 58.31 55.78 1k2d n LYS 38 Cb 0.55 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1k2d n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k2d n LYS 39 N -1.09 -3.47 -3.81 1.97 5.02 0.29 -4.98 118.16 112.09 1k2d n LYS 39 Ca 0.07 0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 56.84 1k2d n LYS 39 Cb 0.36 -4.98 -0.14 0.00 -0.02 0.00 0.00 35.03 30.25 1k2d n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1k2d s GLU 40 N -5.75 0.09 -0.40 1.97 2.12 -0.76 -4.81 118.70 111.16 1k2d s GLU 40 Ca 0.20 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.45 1k2d s GLU 40 Cb -0.05 -0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.33 1k2d s GLU 40 CO 0.82 -0.06 1.00 0.99 -0.54 0.00 0.00 175.26 177.46 1k2d s THR 41 N 0.41 4.47 -0.45 -1.70 2.01 -1.26 0.11 115.64 119.23 1k2d s THR 41 Ca -0.03 1.22 -0.17 0.00 0.31 0.00 0.00 61.69 63.02 1k2d s THR 41 Cb -0.04 -4.43 0.04 0.00 0.01 0.00 0.00 72.50 68.08 1k2d s THR 41 CO -0.02 -0.68 0.44 -0.63 -0.69 0.00 0.00 174.62 173.05 1k2d s ILE 42 N 3.77 5.11 0.26 1.82 -1.09 0.06 -4.96 121.20 126.17 1k2d s ILE 42 Ca 0.41 -0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 1k2d s ILE 42 Cb -0.11 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 1k2d s ILE 42 CO 0.22 -0.54 0.93 0.26 -1.23 0.00 0.00 174.94 174.59 1k2d s TRP 43 N 2.02 3.91 0.08 3.97 0.52 -1.26 -2.66 118.94 125.52 1k2d s TRP 43 Ca 0.09 1.86 -0.14 0.00 0.02 0.00 0.00 56.10 57.94 1k2d s TRP 43 Cb -0.20 -2.95 -0.19 0.00 -1.15 0.00 0.00 33.47 28.98 1k2d s TRP 43 CO 0.11 0.40 1.25 1.98 0.02 0.00 0.00 176.95 180.70 1k2d h MET 44 N 3.91 0.74 -4.03 4.98 1.85 -1.55 -3.36 114.93 117.48 1k2d h MET 44 Ca -0.46 -0.69 -0.72 0.00 -0.61 0.00 0.00 59.70 57.23 1k2d h MET 44 Cb 1.20 0.17 -0.32 0.00 0.43 0.00 0.00 31.60 33.08 1k2d h MET 44 CO 0.67 1.28 -0.34 -0.51 -0.40 0.00 0.00 176.91 177.61 1k2d s LEU 45 N -8.29 5.62 0.33 3.39 1.43 -1.26 -4.96 118.68 114.94 1k2d s LEU 45 Ca -0.10 -2.35 0.12 0.00 -1.03 0.00 0.00 54.13 50.76 1k2d s LEU 45 Cb 0.08 -1.96 1.04 0.00 0.03 0.00 0.00 46.19 45.38 1k2d s LEU 45 CO 0.91 -0.55 1.63 -0.65 0.23 0.00 0.00 176.35 177.92 1k2d h PRO 46 N 7.82 0.17 0.00 1.29 0.11 -1.96 0.69 132.00 140.12 1k2d h PRO 46 Ca -0.09 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1k2d h PRO 46 Cb 1.02 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1k2d h PRO 46 CO 0.77 0.11 -0.01 1.05 -0.21 0.00 0.00 178.00 179.72 1k2d h GLU 47 N 0.18 0.00 -0.28 1.05 9.09 -1.95 -1.90 114.58 120.77 1k2d h GLU 47 Ca 0.71 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 60.07 1k2d h GLU 47 Cb 1.66 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.74 1k2d h GLU 47 CO -0.70 0.01 -0.04 0.74 0.05 0.00 0.00 179.01 179.08 1k2d h PHE 48 N 0.00 0.45 0.00 2.06 -1.00 -1.26 -2.16 116.94 115.03 1k2d h PHE 48 Ca -0.00 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1k2d h PHE 48 Cb 0.02 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1k2d h PHE 48 CO 0.00 0.47 0.00 0.00 -1.61 0.00 0.00 178.31 177.17 1k2d n ALA 49 N -2.48 1.24 0.12 2.45 0.00 -0.71 -1.20 120.51 119.92 1k2d n ALA 49 Ca 0.01 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1k2d n ALA 49 Cb 0.25 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1k2d n ALA 49 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1k2d h GLN 50 N 0.00 0.00 -0.21 0.00 4.20 -1.53 -3.35 115.11 114.23 1k2d h GLN 50 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1k2d h GLN 50 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1k2d h GLN 50 CO 0.00 0.39 0.00 1.28 -0.67 0.00 0.00 178.83 179.83 1k2d n LEU 51 N -3.10 2.48 -3.69 1.46 4.32 -0.34 -5.05 117.00 113.07 1k2d n LEU 51 Ca -0.01 -1.78 -0.01 0.00 -0.02 0.00 0.00 56.01 54.20 1k2d n LEU 51 Cb 0.74 -0.14 -0.01 0.00 -1.62 0.00 0.00 43.42 42.40 1k2d n LEU 51 CO 0.41 0.60 0.91 0.00 -1.22 0.00 0.00 177.39 178.09 1k2d s ARG 52 N -0.93 0.77 0.31 3.23 1.70 -0.85 -5.12 118.95 118.06 1k2d s ARG 52 Ca 0.16 -0.43 -0.19 0.00 -0.47 0.00 0.00 55.73 54.79 1k2d s ARG 52 Cb 0.09 0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 1k2d s ARG 52 CO 0.12 -0.35 0.75 -1.54 -1.08 0.00 0.00 175.30 173.19 1k2d s SER 53 N -2.99 -0.18 -0.21 -2.89 1.04 -1.26 -4.35 113.70 102.85 1k2d s SER 53 Ca 0.14 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.68 1k2d s SER 53 Cb 0.02 0.76 0.07 0.00 0.10 0.00 0.00 66.02 66.97 1k2d s SER 53 CO -0.01 -1.44 0.51 0.12 0.98 0.00 0.00 173.24 173.40 1k2d s PHE 54 N -3.40 -0.81 -0.28 5.02 5.36 -1.26 -5.12 117.98 117.50 1k2d s PHE 54 Ca 0.12 1.64 -0.29 0.00 -0.96 0.00 0.00 56.93 57.44 1k2d s PHE 54 Cb -0.06 0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1k2d s PHE 54 CO 0.08 -0.43 1.32 0.34 -1.46 0.00 0.00 175.22 175.07 1k2d s ASP 55 N 1.65 6.68 0.62 6.13 -1.08 -1.26 -4.74 116.67 124.68 1k2d s ASP 55 Ca -0.09 1.29 0.31 0.00 -0.52 0.00 0.00 52.55 53.54 1k2d s ASP 55 Cb -0.08 -2.54 1.70 0.00 -1.46 0.00 0.00 42.92 40.55 1k2d s ASP 55 CO -0.15 -1.06 1.95 1.55 0.52 0.00 0.00 175.17 177.98 1k2d h PRO 56 N 9.27 0.00 -0.86 4.34 0.13 -1.94 -0.01 132.00 142.92 1k2d h PRO 56 Ca -0.27 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.04 1k2d h PRO 56 Cb 1.10 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1k2d h PRO 56 CO 1.02 0.00 0.41 1.96 -0.23 0.00 0.00 178.00 181.16 1k2d h GLN 57 N 0.00 0.50 -0.64 0.86 4.20 -1.91 0.16 115.11 118.28 1k2d h GLN 57 Ca 0.00 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.81 1k2d h GLN 57 Cb 0.50 -0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.07 1k2d h GLN 57 CO 0.00 0.33 0.11 0.78 -0.67 0.00 0.00 178.83 179.38 1k2d h GLY 58 N 0.52 0.81 0.99 3.46 0.00 -1.39 -0.98 103.07 106.48 1k2d h GLY 58 Ca 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1k2d h GLY 58 CO -0.43 -0.16 -0.04 -1.33 0.00 0.00 0.00 176.54 174.57 1k2d h GLY 59 N 0.23 -0.12 0.49 4.60 0.00 -0.85 -1.71 103.07 105.70 1k2d h GLY 59 Ca 0.35 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.77 1k2d h GLY 59 CO -0.46 -0.05 -0.06 1.41 0.00 0.00 0.00 176.54 177.38 1k2d h LEU 60 N -0.13 -0.23 0.23 3.11 3.38 -1.00 0.12 115.31 120.79 1k2d h LEU 60 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1k2d h LEU 60 Cb 0.10 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1k2d h LEU 60 CO 0.02 -0.08 -0.45 1.56 0.09 0.00 0.00 178.44 179.57 1k2d h GLN 61 N 0.00 -0.72 -0.26 1.13 7.50 -1.08 0.65 115.11 122.34 1k2d h GLN 61 Ca 0.12 0.05 0.08 0.00 0.50 0.00 0.00 58.65 59.40 1k2d h GLN 61 Cb 0.19 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1k2d h GLN 61 CO -0.26 -0.48 0.22 -0.91 -1.50 0.00 0.00 178.83 175.90 1k2d h ASN 62 N -0.74 0.00 -0.04 1.46 2.35 -0.99 0.53 115.58 118.15 1k2d h ASN 62 Ca -0.02 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.50 1k2d h ASN 62 Cb 0.70 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1k2d h ASN 62 CO -0.18 0.00 -0.82 0.40 -1.65 0.00 0.00 177.43 175.19 1k2d h ILE 63 N 0.00 1.30 -0.83 2.81 1.08 0.03 -2.10 117.51 119.79 1k2d h ILE 63 Ca 0.13 -2.06 0.05 0.00 -0.39 0.00 0.00 64.86 62.59 1k2d h ILE 63 Cb 0.57 2.07 -0.05 0.00 -3.07 0.00 0.00 36.82 36.34 1k2d h ILE 63 CO -0.00 0.64 0.55 0.00 -0.69 0.00 0.00 178.15 178.65 1k2d h ALA 64 N 0.60 1.55 -0.31 1.87 0.00 0.14 0.15 119.26 123.26 1k2d h ALA 64 Ca -0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1k2d h ALA 64 Cb 1.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1k2d h ALA 64 CO 0.16 0.34 -0.24 1.15 0.00 0.00 0.00 179.25 180.66 1k2d h THR 65 N 0.96 1.27 -0.67 0.00 2.02 -1.20 -0.21 112.91 115.08 1k2d h THR 65 Ca 0.35 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1k2d h THR 65 Cb 0.15 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1k2d h THR 65 CO -0.12 0.42 0.26 1.23 0.37 0.00 0.00 175.52 177.69 1k2d h GLY 66 N 1.00 1.06 0.82 2.16 0.00 -0.09 0.30 103.07 108.31 1k2d h GLY 66 Ca 0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1k2d h GLY 66 CO 0.05 0.52 -0.01 1.70 0.00 0.00 0.00 176.54 178.80 1k2d h LYS 67 N 0.97 -0.04 -0.20 4.80 3.64 -0.36 -0.95 116.57 124.43 1k2d h LYS 67 Ca 0.23 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1k2d h LYS 67 Cb 0.19 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1k2d h LYS 67 CO -0.02 0.15 -0.01 1.25 -2.27 0.00 0.00 179.45 178.55 1k2d h HIS 68 N -0.22 -0.03 -0.02 1.91 2.76 -0.52 -2.92 115.15 116.11 1k2d h HIS 68 Ca -0.00 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 1k2d h HIS 68 Cb 0.21 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1k2d h HIS 68 CO -0.01 -0.04 -0.47 -0.91 -1.30 0.00 0.00 177.93 175.20 1k2d h ASN 69 N 0.05 0.04 -4.06 3.26 2.35 -0.36 -3.30 115.58 113.56 1k2d h ASN 69 Ca 0.10 -0.02 -0.48 0.00 -0.55 0.00 0.00 56.30 55.35 1k2d h ASN 69 Cb 0.13 -0.01 0.03 0.00 0.05 0.00 0.00 38.32 38.52 1k2d h ASN 69 CO -0.17 0.50 0.40 -0.22 -1.65 0.00 0.00 177.43 176.29 1k2d s LEU 70 N -7.99 3.88 0.00 1.61 2.96 -0.37 -1.19 118.68 117.57 1k2d s LEU 70 Ca -0.02 2.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 1k2d s LEU 70 Cb 0.14 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.33 1k2d s LEU 70 CO 0.75 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 1k2d n GLY 71 N -0.07 1.99 0.28 7.98 0.00 -1.26 -4.41 105.19 109.69 1k2d n GLY 71 Ca 0.09 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1k2d n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k2d h VAL 72 N 0.00 1.00 0.00 1.61 2.07 -1.62 0.38 116.25 119.68 1k2d h VAL 72 Ca 0.00 -0.03 -0.32 0.00 0.82 0.00 0.00 66.70 67.16 1k2d h VAL 72 Cb 0.00 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1k2d h VAL 72 CO 0.00 0.02 -2.05 0.18 0.02 0.00 0.00 177.57 175.74 1k2d n LEU 73 N -4.52 0.42 -0.20 2.57 7.99 -0.34 -3.25 117.00 119.68 1k2d n LEU 73 Ca -0.01 0.20 -0.08 0.00 -0.01 0.00 0.00 56.01 56.11 1k2d n LEU 73 Cb 0.12 0.33 0.02 0.00 -0.11 0.00 0.00 43.42 43.79 1k2d n LEU 73 CO 0.34 0.43 0.94 0.74 -1.51 0.00 0.00 177.39 178.34 1k2d h THR 74 N 0.00 1.24 0.06 -5.08 2.02 -1.40 -2.22 112.91 107.52 1k2d h THR 74 Ca -0.41 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1k2d h THR 74 Cb 2.11 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1k2d h THR 74 CO 0.05 0.30 -0.03 0.11 0.37 0.00 0.00 175.52 176.32 1k2d h LYS 75 N 0.80 -0.07 -0.07 6.66 1.57 -0.49 0.42 116.57 125.38 1k2d h LYS 75 Ca 0.18 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1k2d h LYS 75 Cb 0.27 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1k2d h LYS 75 CO -0.01 0.52 0.68 -0.09 -0.57 0.00 0.00 179.45 179.99 1k2d h ARG 76 N -0.78 0.00 -0.49 3.15 2.43 -1.52 2.20 114.38 119.36 1k2d h ARG 76 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1k2d h ARG 76 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1k2d h ARG 76 CO 0.01 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.34 1k2d n SER 77 N -2.77 3.34 -3.63 -3.80 3.41 -0.84 -4.96 113.62 104.36 1k2d n SER 77 Ca 0.01 -1.98 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 1k2d n SER 77 Cb 0.73 -0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1k2d n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k2d n ASN 78 N 1.02 -5.79 -3.56 4.04 3.02 0.74 -3.44 115.26 111.29 1k2d n ASN 78 Ca 0.17 -0.58 -0.19 0.00 -0.03 0.00 0.00 54.58 53.95 1k2d n ASN 78 Cb 0.51 -4.88 0.01 0.00 -0.61 0.00 0.00 39.78 34.81 1k2d n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1k2d n SER 79 N -3.00 -5.81 -4.70 6.41 7.64 0.15 -4.93 113.62 109.37 1k2d n SER 79 Ca -0.01 -0.72 -0.38 0.00 1.01 0.00 0.00 58.87 58.77 1k2d n SER 79 Cb 0.57 -3.09 -0.06 0.00 -1.01 0.00 0.00 64.21 60.61 1k2d n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1k2d s THR 80 N -3.10 5.17 0.56 0.44 2.01 -1.22 -5.04 115.64 114.46 1k2d s THR 80 Ca 0.11 0.91 -0.15 0.00 0.31 0.00 0.00 61.69 62.86 1k2d s THR 80 Cb -0.04 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1k2d s THR 80 CO 0.85 0.28 1.02 -2.16 -0.69 0.00 0.00 174.62 173.91 1k2d s PRO 81 N 0.97 3.67 -0.00 4.92 0.04 -1.26 -5.03 135.00 138.31 1k2d s PRO 81 Ca 0.24 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1k2d s PRO 81 Cb -0.15 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1k2d s PRO 81 CO 0.09 -0.51 0.96 0.00 0.04 0.00 0.00 177.00 177.59 1k2d s ALA 82 N -2.66 3.17 -0.17 8.56 0.00 -1.26 -5.01 121.76 124.40 1k2d s ALA 82 Ca 0.60 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 1k2d s ALA 82 Cb -0.12 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1k2d s ALA 82 CO 0.37 -0.22 0.99 0.99 0.00 0.00 0.00 175.76 177.89 1k2d s THR 83 N 0.98 4.76 0.43 0.00 2.01 -1.26 -4.96 115.64 117.60 1k2d s THR 83 Ca 0.51 1.96 -0.25 0.00 0.31 0.00 0.00 61.69 64.22 1k2d s THR 83 Cb -0.21 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 67.94 1k2d s THR 83 CO 0.27 -0.06 1.21 0.20 -0.69 0.00 0.00 174.62 175.55 1k2d s ASN 84 N 1.15 6.29 0.31 3.53 0.01 -1.26 -4.65 114.94 120.32 1k2d s ASN 84 Ca 0.45 2.44 0.09 0.00 -0.71 0.00 0.00 52.86 55.12 1k2d s ASN 84 Cb -0.17 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 1k2d s ASN 84 CO 0.12 -0.84 0.11 -1.61 -1.51 0.00 0.00 177.10 173.37 1k2d s GLU 85 N -2.43 2.42 -0.26 -0.60 0.41 0.11 -4.94 118.70 113.42 1k2d s GLU 85 Ca 0.60 -1.44 -0.10 0.00 -0.41 0.00 0.00 54.97 53.61 1k2d s GLU 85 Cb -0.33 -2.22 -0.05 0.00 -1.78 0.00 0.00 34.13 29.75 1k2d s GLU 85 CO 0.41 0.23 0.17 0.00 -0.49 0.00 0.00 175.26 175.57 1k2d s ALA 86 N -2.36 3.54 1.25 5.21 0.00 -1.26 -3.90 121.76 124.25 1k2d s ALA 86 Ca 0.35 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 1k2d s ALA 86 Cb -0.04 -2.37 0.31 0.00 0.00 0.00 0.00 23.12 21.02 1k2d s ALA 86 CO 0.22 -0.36 1.00 -2.14 0.00 0.00 0.00 175.76 174.48 1k2d s PRO 87 N 1.38 -1.63 -0.11 0.00 0.02 -1.24 -4.83 135.00 128.59 1k2d s PRO 87 Ca 0.07 0.50 -0.03 0.00 0.02 0.00 0.00 61.00 61.55 1k2d s PRO 87 Cb -0.15 -1.50 0.05 0.00 0.02 0.00 0.00 34.50 32.92 1k2d s PRO 87 CO 0.07 -4.10 0.11 -0.65 -0.33 0.00 0.00 177.00 172.09 1k2d s GLN 88 N -4.75 0.01 0.01 5.54 -0.21 0.54 -4.96 119.66 115.85 1k2d s GLN 88 Ca 0.68 0.25 0.03 0.00 0.02 0.00 0.00 55.36 56.35 1k2d s GLN 88 Cb -0.20 -0.95 -0.03 0.00 1.00 0.00 0.00 33.01 32.83 1k2d s GLN 88 CO 0.62 -0.46 -0.06 0.00 -2.12 0.00 0.00 175.29 173.26 1k2d s ALA 89 N 2.20 3.06 -0.06 6.09 0.00 -1.25 0.11 121.76 131.90 1k2d s ALA 89 Ca 0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1k2d s ALA 89 Cb -0.14 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1k2d s ALA 89 CO -0.06 0.62 0.16 0.99 0.00 0.00 0.00 175.76 177.47 1k2d s THR 90 N -1.04 -0.01 -0.05 0.00 2.01 0.24 -4.97 115.64 111.82 1k2d s THR 90 Ca 0.18 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1k2d s THR 90 Cb -0.11 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1k2d s THR 90 CO 0.09 0.02 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.16 1k2d s VAL 91 N 0.35 2.67 -0.03 3.82 1.01 -1.26 -0.08 120.40 126.88 1k2d s VAL 91 Ca -0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1k2d s VAL 91 Cb -0.03 -2.02 0.07 0.00 0.00 0.00 0.00 36.38 34.40 1k2d s VAL 91 CO -0.01 0.58 0.69 0.72 0.00 0.00 0.00 175.10 177.07 1k2d s PHE 92 N -0.49 -0.63 0.43 5.22 -0.12 -0.17 -4.98 117.98 117.24 1k2d s PHE 92 Ca 0.06 1.02 -0.16 0.00 -0.05 0.00 0.00 56.93 57.80 1k2d s PHE 92 Cb -0.12 0.43 -0.08 0.00 -0.63 0.00 0.00 43.02 42.62 1k2d s PHE 92 CO 0.01 -0.62 0.88 -1.25 -0.05 0.00 0.00 175.22 174.20 1k2d s PRO 93 N -1.45 3.99 0.15 1.99 0.04 -1.26 0.20 135.00 138.66 1k2d s PRO 93 Ca -0.09 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 61.65 1k2d s PRO 93 Cb -0.00 -2.26 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1k2d s PRO 93 CO 0.07 -0.08 1.66 -0.22 0.04 0.00 0.00 177.00 178.47 1k2d h LYS 94 N 1.48 0.84 -4.68 4.56 3.64 -1.50 -3.46 116.57 117.44 1k2d h LYS 94 Ca -0.48 -0.21 -0.27 0.00 -1.27 0.00 0.00 60.65 58.43 1k2d h LYS 94 Cb 1.18 -0.11 -0.15 0.00 -0.41 0.00 0.00 32.23 32.75 1k2d h LYS 94 CO 0.63 0.80 -0.62 -1.54 -2.27 0.00 0.00 179.45 176.44 1k2d s SER 95 N -6.19 0.58 0.35 4.20 1.04 -1.26 -5.06 113.70 107.37 1k2d s SER 95 Ca -0.13 -1.35 -0.26 0.00 0.48 0.00 0.00 55.95 54.70 1k2d s SER 95 Cb 0.12 0.28 -0.13 0.00 0.10 0.00 0.00 66.02 66.39 1k2d s SER 95 CO 0.80 -0.77 0.93 -2.65 0.98 0.00 0.00 173.24 172.53 1k2d n PRO 96 N -0.31 1.21 -2.98 4.02 -0.02 -1.26 -4.91 135.00 130.76 1k2d n PRO 96 Ca -0.00 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.51 1k2d n PRO 96 Cb 0.66 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.24 1k2d n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k2d s VAL 97 N -1.20 5.01 -0.03 -1.45 1.01 -1.26 -5.05 120.40 117.43 1k2d s VAL 97 Ca 0.61 1.56 0.01 0.00 0.00 0.00 0.00 61.98 64.16 1k2d s VAL 97 Cb -0.64 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 31.67 1k2d s VAL 97 CO 0.58 0.22 -0.01 -0.76 0.00 0.00 0.00 175.10 175.14 1k2d s LEU 98 N 0.90 1.34 0.12 3.92 1.43 -1.26 -5.10 118.68 120.03 1k2d s LEU 98 Ca 0.40 -0.05 -0.33 0.00 -1.03 0.00 0.00 54.13 53.12 1k2d s LEU 98 Cb -0.18 -0.25 -0.13 0.00 0.03 0.00 0.00 46.19 45.66 1k2d s LEU 98 CO 0.20 -0.07 1.71 0.18 0.23 0.00 0.00 176.35 178.60 1k2d n LEU 99 N 3.92 3.52 0.00 1.79 4.32 -1.26 -1.89 117.00 127.40 1k2d n LEU 99 Ca -0.24 1.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.79 1k2d n LEU 99 Cb 0.52 -1.47 0.00 0.00 -1.62 0.00 0.00 43.42 40.85 1k2d n LEU 99 CO 0.23 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 1k2d n GLY 100 N 3.84 2.34 3.52 -0.72 0.00 -0.40 -4.96 105.19 108.81 1k2d n GLY 100 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1k2d n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k2d s GLN 101 N -0.24 3.41 0.22 1.61 -0.21 -0.79 -4.86 119.66 118.80 1k2d s GLN 101 Ca 0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.47 1k2d s GLN 101 Cb 0.00 -3.85 -0.16 0.00 1.00 0.00 0.00 33.01 30.01 1k2d s GLN 101 CO 0.00 -0.56 0.80 -2.30 -2.12 0.00 0.00 175.29 171.11 1k2d n PRO 102 N 5.27 0.63 -2.55 2.91 -0.02 -1.26 -4.31 135.00 135.67 1k2d n PRO 102 Ca -0.11 0.22 -0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1k2d n PRO 102 Cb 0.49 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 1k2d n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1k2d n ASN 103 N 1.69 -0.67 -3.82 2.55 2.85 -0.34 -4.99 115.26 112.53 1k2d n ASN 103 Ca 0.15 -1.81 -0.14 0.00 -0.11 0.00 0.00 54.58 52.67 1k2d n ASN 103 Cb 0.27 1.22 -0.15 0.00 1.24 0.00 0.00 39.78 42.36 1k2d n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1k2d s THR 104 N -2.60 -0.02 -0.11 -0.44 2.01 -1.26 -1.51 115.64 111.71 1k2d s THR 104 Ca 0.12 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 1k2d s THR 104 Cb -0.01 -0.06 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 1k2d s THR 104 CO 0.08 0.06 0.34 -0.76 -0.69 0.00 0.00 174.62 173.65 1k2d s LEU 105 N 0.60 4.31 -0.18 4.42 1.43 0.13 -1.14 118.68 128.26 1k2d s LEU 105 Ca -0.05 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 53.66 1k2d s LEU 105 Cb -0.07 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1k2d s LEU 105 CO -0.02 0.16 -0.01 -0.63 0.23 0.00 0.00 176.35 176.08 1k2d s ILE 106 N 0.03 4.04 -0.32 -0.59 1.01 0.13 -1.14 121.20 124.35 1k2d s ILE 106 Ca 0.20 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1k2d s ILE 106 Cb -0.14 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.57 1k2d s ILE 106 CO 0.07 0.46 0.06 0.00 0.00 0.00 0.00 174.94 175.54 1k2d s PHE 108 N 1.36 3.40 -0.27 0.00 5.36 0.89 -1.84 117.98 126.88 1k2d s PHE 108 Ca -0.03 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.63 1k2d s PHE 108 Cb -0.19 -2.52 0.06 0.00 -0.34 0.00 0.00 43.02 40.03 1k2d s PHE 108 CO 0.01 0.03 -0.09 0.08 -1.46 0.00 0.00 175.22 173.79 1k2d s VAL 109 N 1.17 2.15 0.41 3.12 1.01 -0.44 -0.59 120.40 127.23 1k2d s VAL 109 Ca 0.20 -1.69 0.08 0.00 0.00 0.00 0.00 61.98 60.57 1k2d s VAL 109 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1k2d s VAL 109 CO 0.08 -0.08 0.26 -0.62 0.00 0.00 0.00 175.10 174.74 1k2d s ASP 110 N 1.09 4.71 -1.09 3.32 2.15 0.29 -1.47 116.67 125.68 1k2d s ASP 110 Ca -0.07 -0.92 -0.06 0.00 0.43 0.00 0.00 52.55 51.93 1k2d s ASP 110 Cb -0.20 -0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 41.84 1k2d s ASP 110 CO -0.05 -0.58 0.91 -3.20 -0.17 0.00 0.00 175.17 172.08 1k2d n ASN 111 N -1.37 -5.54 -4.58 -0.34 5.15 -0.93 -0.34 115.26 107.31 1k2d n ASN 111 Ca 0.01 -0.73 -0.38 0.00 -0.60 0.00 0.00 54.58 52.88 1k2d n ASN 111 Cb 0.63 -4.96 -0.11 0.00 -0.53 0.00 0.00 39.78 34.81 1k2d n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1k2d s ILE 112 N -3.41 5.23 -0.29 -1.44 1.01 0.13 -3.70 121.20 118.72 1k2d s ILE 112 Ca 0.37 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 1k2d s ILE 112 Cb -0.06 -3.48 0.14 0.00 0.01 0.00 0.00 42.46 39.07 1k2d s ILE 112 CO 0.75 0.27 0.89 0.12 0.00 0.00 0.00 174.94 176.98 1k2d s PHE 113 N 1.67 -0.80 0.82 3.97 5.36 -1.26 -1.02 117.98 126.73 1k2d s PHE 113 Ca 0.07 1.47 -0.12 0.00 -0.96 0.00 0.00 56.93 57.39 1k2d s PHE 113 Cb -0.16 0.48 0.08 0.00 -0.34 0.00 0.00 43.02 43.08 1k2d s PHE 113 CO 0.10 -0.39 1.10 -1.25 -1.46 0.00 0.00 175.22 173.31 1k2d s PRO 114 N 2.03 1.88 -0.41 10.12 0.04 -1.26 -0.71 135.00 146.68 1k2d s PRO 114 Ca -0.06 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 61.55 1k2d s PRO 114 Cb -0.06 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1k2d s PRO 114 CO -0.17 -1.76 1.55 -0.35 0.04 0.00 0.00 177.00 176.30 1k2d n PRO 115 N -3.53 0.92 -3.71 0.56 -0.04 -1.26 -4.72 135.00 123.22 1k2d n PRO 115 Ca 0.07 -1.02 -0.16 0.00 -0.04 0.00 0.00 63.50 62.36 1k2d n PRO 115 Cb 0.56 -2.29 -0.15 0.00 -0.04 0.00 0.00 33.50 31.58 1k2d n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k2d s VAL 116 N 4.55 -0.13 0.11 0.52 1.01 -1.26 -5.09 120.40 120.11 1k2d s VAL 116 Ca 0.25 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.26 1k2d s VAL 116 Cb 0.06 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.29 1k2d s VAL 116 CO 0.03 0.11 0.75 -0.51 0.00 0.00 0.00 175.10 175.48 1k2d s ILE 117 N 1.66 0.00 -0.23 2.22 2.07 -1.26 -4.74 121.20 120.92 1k2d s ILE 117 Ca -0.03 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1k2d s ILE 117 Cb -0.12 -1.20 0.05 0.00 0.13 0.00 0.00 42.46 41.32 1k2d s ILE 117 CO -0.05 0.00 -0.08 0.20 -1.91 0.00 0.00 174.94 173.10 1k2d s ASN 118 N -2.69 3.87 -0.16 4.50 -0.87 0.42 -4.96 114.94 115.05 1k2d s ASN 118 Ca 0.05 -1.15 0.01 0.00 -1.57 0.00 0.00 52.86 50.20 1k2d s ASN 118 Cb -0.02 -1.29 0.01 0.00 -0.02 0.00 0.00 41.25 39.94 1k2d s ASN 118 CO -0.08 -0.20 -0.19 -0.63 -2.57 0.00 0.00 177.10 173.44 1k2d s ILE 119 N 1.32 2.32 0.19 0.60 1.01 -1.25 0.11 121.20 125.50 1k2d s ILE 119 Ca -0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 1k2d s ILE 119 Cb -0.18 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1k2d s ILE 119 CO -0.06 0.53 0.18 0.42 0.00 0.00 0.00 174.94 176.00 1k2d s THR 120 N 0.96 0.03 0.02 2.92 -4.23 0.74 -4.96 115.64 111.11 1k2d s THR 120 Ca -0.03 -1.84 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1k2d s THR 120 Cb -0.15 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1k2d s THR 120 CO -0.04 -0.13 -0.26 0.26 -0.54 0.00 0.00 174.62 173.91 1k2d s TRP 121 N -4.10 2.32 -0.10 3.99 0.52 -1.26 0.13 118.94 120.44 1k2d s TRP 121 Ca 0.31 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1k2d s TRP 121 Cb 0.06 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 1k2d s TRP 121 CO 0.08 0.06 -0.23 -0.51 0.02 0.00 0.00 176.95 176.38 1k2d s LEU 122 N -1.01 2.04 -0.20 2.99 1.43 -0.30 -1.77 118.68 121.86 1k2d s LEU 122 Ca 0.11 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 1k2d s LEU 122 Cb -0.10 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 1k2d s LEU 122 CO 0.01 0.15 -0.02 -0.60 0.23 0.00 0.00 176.35 176.12 1k2d s ARG 123 N 0.38 3.54 -1.21 1.70 3.52 0.10 -0.66 118.95 126.32 1k2d s ARG 123 Ca -0.18 -0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 54.80 1k2d s ARG 123 Cb -0.18 -3.04 0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1k2d s ARG 123 CO 0.08 -0.03 0.33 0.09 -0.81 0.00 0.00 175.30 174.96 1k2d n ASN 124 N 4.35 -3.98 0.00 -2.12 3.02 0.43 -0.44 115.26 116.52 1k2d n ASN 124 Ca -0.17 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1k2d n ASN 124 Cb 0.52 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 1k2d n ASN 124 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1k2d n SER 125 N -2.14 -1.25 -4.70 6.41 3.41 -1.26 -5.01 113.62 109.08 1k2d n SER 125 Ca -0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.22 1k2d n SER 125 Cb 0.57 -0.84 -0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1k2d n SER 125 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k2d s LYS 126 N -0.33 2.79 0.29 4.33 1.02 0.41 -5.02 119.74 123.23 1k2d s LYS 126 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1k2d s LYS 126 Cb 0.00 -2.68 -0.12 0.00 -0.52 0.00 0.00 37.83 34.51 1k2d s LYS 126 CO 0.00 0.61 1.46 0.45 -0.92 0.00 0.00 175.35 176.95 1k2d n SER 127 N 1.23 3.25 -4.04 2.83 2.88 -1.26 0.01 113.62 118.53 1k2d n SER 127 Ca -0.14 1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 58.28 1k2d n SER 127 Cb 0.53 -1.52 -0.17 0.00 -0.75 0.00 0.00 64.21 62.30 1k2d n SER 127 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1k2d s VAL 128 N -0.35 1.48 -0.11 2.46 1.01 -0.73 -4.79 120.40 119.36 1k2d s VAL 128 Ca 0.63 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1k2d s VAL 128 Cb -0.56 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.34 1k2d s VAL 128 CO 0.53 0.44 -0.02 0.00 0.00 0.00 0.00 175.10 176.05 1k2d n ALA 129 N 4.35 1.73 -1.79 5.51 0.00 -1.26 -4.39 120.51 124.66 1k2d n ALA 129 Ca -0.18 -0.64 -0.35 0.00 0.00 0.00 0.00 53.44 52.27 1k2d n ALA 129 Cb 0.51 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1k2d n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k2d s ASP 130 N -4.65 6.29 -1.30 0.00 1.01 -1.26 -3.60 116.67 113.16 1k2d s ASP 130 Ca -0.10 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1k2d s ASP 130 Cb 0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1k2d s ASP 130 CO 0.38 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.55 1k2d n GLY 131 N 0.05 0.37 3.50 0.21 0.00 -1.26 -4.84 105.19 103.22 1k2d n GLY 131 Ca 0.09 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1k2d n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k2d s VAL 132 N -2.64 3.26 -0.02 1.61 1.01 -1.24 -1.01 120.40 121.38 1k2d s VAL 132 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1k2d s VAL 132 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1k2d s VAL 132 CO 0.00 0.59 0.25 -0.47 0.00 0.00 0.00 175.10 175.47 1k2d s TYR 133 N -0.65 -0.12 0.03 5.22 5.04 -0.39 -4.99 117.35 121.50 1k2d s TYR 133 Ca 0.10 0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.85 1k2d s TYR 133 Cb -0.11 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.24 1k2d s TYR 133 CO 0.01 -0.33 0.11 -1.83 -1.34 0.00 0.00 175.55 172.17 1k2d s GLU 134 N -1.21 0.58 0.73 4.97 -1.05 -1.26 0.81 118.70 122.27 1k2d s GLU 134 Ca -0.13 -0.68 -0.05 0.00 -0.15 0.00 0.00 54.97 53.96 1k2d s GLU 134 Cb -0.06 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 33.96 1k2d s GLU 134 CO 0.03 -0.15 1.02 0.95 0.95 0.00 0.00 175.26 178.06 1k2d s THR 135 N -2.41 2.25 0.34 1.83 -4.23 -0.08 -5.01 115.64 108.33 1k2d s THR 135 Ca -0.07 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1k2d s THR 135 Cb -0.02 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.04 1k2d s THR 135 CO -0.04 0.00 0.41 -1.20 -0.54 0.00 0.00 174.62 173.26 1k2d n SER 136 N -2.94 -0.35 -4.67 3.99 7.64 -1.26 -4.61 113.62 111.42 1k2d n SER 136 Ca 0.11 -1.04 -0.41 0.00 1.01 0.00 0.00 58.87 58.55 1k2d n SER 136 Cb 0.60 -0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1k2d n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1k2d s PHE 137 N -1.87 3.40 0.17 1.43 0.08 -1.26 -4.56 117.98 115.36 1k2d s PHE 137 Ca 0.24 1.10 -0.12 0.00 0.12 0.00 0.00 56.93 58.28 1k2d s PHE 137 Cb -0.01 -2.91 -0.07 0.00 -0.57 0.00 0.00 43.02 39.46 1k2d s PHE 137 CO 0.17 -0.20 0.52 -0.06 -0.10 0.00 0.00 175.22 175.56 1k2d s PHE 138 N 2.01 3.54 0.44 0.36 0.40 0.90 -4.92 117.98 120.72 1k2d s PHE 138 Ca 0.34 0.94 -0.19 0.00 -0.60 0.00 0.00 56.93 57.42 1k2d s PHE 138 Cb -0.16 -2.29 -0.10 0.00 0.51 0.00 0.00 43.02 40.98 1k2d s PHE 138 CO 0.11 0.39 0.94 0.14 0.70 0.00 0.00 175.22 177.50 1k2d s VAL 139 N -1.58 4.45 0.50 -0.44 -7.23 -1.26 -2.04 120.40 112.79 1k2d s VAL 139 Ca 0.41 1.38 0.03 0.00 -1.81 0.00 0.00 61.98 61.98 1k2d s VAL 139 Cb -0.13 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 1k2d s VAL 139 CO 0.20 -0.41 0.10 0.20 -0.31 0.00 0.00 175.10 174.89 1k2d s ASN 140 N -2.42 4.24 0.09 4.85 0.01 -0.76 -4.83 114.94 116.12 1k2d s ASN 140 Ca 0.61 -1.48 -0.14 0.00 -0.71 0.00 0.00 52.86 51.14 1k2d s ASN 140 Cb -0.09 0.28 -0.19 0.00 0.41 0.00 0.00 41.25 41.66 1k2d s ASN 140 CO 0.18 -0.82 1.25 -0.09 -1.51 0.00 0.00 177.10 176.11 1k2d h ARG 141 N 1.28 0.74 -0.89 -0.60 2.43 -1.98 -3.00 114.38 112.38 1k2d h ARG 141 Ca -0.42 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.07 1k2d h ARG 141 Cb 1.30 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1k2d h ARG 141 CO 0.71 1.27 0.00 -0.40 -1.51 0.00 0.00 179.97 180.04 1k2d n ASP 142 N -3.94 1.86 -0.25 -3.80 5.75 -1.26 -4.84 116.55 110.07 1k2d n ASP 142 Ca -0.09 -2.17 -0.03 0.00 -0.01 0.00 0.00 54.79 52.49 1k2d n ASP 142 Cb 0.78 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 40.34 1k2d n ASP 142 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1k2d n TYR 143 N 0.11 0.00 -1.19 2.11 4.01 -1.13 -4.98 117.16 116.09 1k2d n TYR 143 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1k2d n TYR 143 Cb 0.42 -1.91 0.00 0.00 -0.31 0.00 0.00 39.34 37.54 1k2d n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1k2d n SER 144 N -0.82 0.00 -4.12 7.72 3.41 -1.26 -4.79 113.62 113.75 1k2d n SER 144 Ca -0.03 -0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 1k2d n SER 144 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1k2d n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1k2d s PHE 145 N 0.30 0.73 0.05 7.33 0.40 -0.19 -1.82 117.98 124.79 1k2d s PHE 145 Ca 0.00 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.18 1k2d s PHE 145 Cb 0.00 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 43.06 1k2d s PHE 145 CO 0.00 -0.48 -0.06 -3.38 0.70 0.00 0.00 175.22 172.00 1k2d s HIS 146 N -4.00 0.62 0.07 0.36 -3.43 -0.86 0.17 115.29 108.22 1k2d s HIS 146 Ca 0.18 -0.69 -0.13 0.00 -0.80 0.00 0.00 55.06 53.61 1k2d s HIS 146 Cb 0.08 -0.39 0.02 0.00 -1.43 0.00 0.00 32.58 30.86 1k2d s HIS 146 CO -0.02 -0.16 0.31 0.21 -2.00 0.00 0.00 174.74 173.07 1k2d s LYS 147 N -2.45 0.87 0.02 -0.38 2.20 -0.54 -0.07 119.74 119.38 1k2d s LYS 147 Ca -0.03 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1k2d s LYS 147 Cb -0.04 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1k2d s LYS 147 CO -0.03 -0.29 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.03 1k2d s LEU 148 N -2.33 2.10 0.03 5.43 1.02 -1.26 -1.33 118.68 122.33 1k2d s LEU 148 Ca -0.02 -0.34 0.08 0.00 0.02 0.00 0.00 54.13 53.87 1k2d s LEU 148 Cb 0.01 -0.59 -0.03 0.00 0.02 0.00 0.00 46.19 45.60 1k2d s LEU 148 CO -0.06 0.08 -0.23 -0.55 0.02 0.00 0.00 176.35 175.60 1k2d s SER 149 N -0.74 3.37 -0.06 2.29 0.15 -0.77 -0.90 113.70 117.05 1k2d s SER 149 Ca 0.03 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.22 1k2d s SER 149 Cb -0.06 -0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1k2d s SER 149 CO 0.00 0.27 -0.19 -0.31 1.20 0.00 0.00 173.24 174.21 1k2d s TYR 150 N -0.80 1.96 -0.19 3.44 2.02 0.24 -0.90 117.35 123.12 1k2d s TYR 150 Ca 0.12 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1k2d s TYR 150 Cb -0.10 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1k2d s TYR 150 CO 0.02 -0.22 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.50 1k2d s LEU 151 N 0.08 2.25 0.16 -1.29 2.96 -0.29 -1.26 118.68 121.28 1k2d s LEU 151 Ca -0.06 -0.85 -0.25 0.00 -0.22 0.00 0.00 54.13 52.75 1k2d s LEU 151 Cb -0.13 -1.25 -0.08 0.00 0.50 0.00 0.00 46.19 45.23 1k2d s LEU 151 CO 0.03 -0.13 0.76 0.42 -1.32 0.00 0.00 176.35 176.11 1k2d s THR 152 N 1.39 4.41 0.23 3.68 -4.23 -0.18 0.20 115.64 121.14 1k2d s THR 152 Ca -0.01 1.66 -0.19 0.00 -1.18 0.00 0.00 61.69 61.97 1k2d s THR 152 Cb -0.16 -4.12 0.02 0.00 1.34 0.00 0.00 72.50 69.59 1k2d s THR 152 CO -0.09 0.52 0.60 0.72 -0.54 0.00 0.00 174.62 175.84 1k2d s PHE 153 N -1.13 -0.11 -0.31 3.99 -0.71 -0.57 -4.87 117.98 114.27 1k2d s PHE 153 Ca 0.35 -0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 55.90 1k2d s PHE 153 Cb -0.23 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.09 1k2d s PHE 153 CO 0.25 -1.04 0.12 0.42 -1.34 0.00 0.00 175.22 173.63 1k2d s ILE 154 N -3.90 4.22 0.32 -4.49 -1.09 -1.26 -1.19 121.20 113.79 1k2d s ILE 154 Ca 0.11 -0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 57.58 1k2d s ILE 154 Cb -0.03 -3.20 -0.11 0.00 -1.58 0.00 0.00 42.46 37.54 1k2d s ILE 154 CO 0.02 0.02 1.45 -2.84 -1.23 0.00 0.00 174.94 172.36 1k2d s PRO 155 N 1.53 4.21 0.05 2.79 0.02 -1.26 -4.82 135.00 137.52 1k2d s PRO 155 Ca 0.03 2.42 -0.07 0.00 0.02 0.00 0.00 61.00 63.40 1k2d s PRO 155 Cb -0.18 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 1k2d s PRO 155 CO 0.04 -0.44 0.13 -1.54 -0.33 0.00 0.00 177.00 174.86 1k2d s SER 156 N 0.03 0.15 0.09 2.53 1.04 -1.26 -1.27 113.70 115.01 1k2d s SER 156 Ca 0.56 -0.55 -0.32 0.00 0.48 0.00 0.00 55.95 56.12 1k2d s SER 156 Cb -0.44 0.26 -0.14 0.00 0.10 0.00 0.00 66.02 65.80 1k2d s SER 156 CO 0.53 -0.57 1.50 0.44 0.98 0.00 0.00 173.24 176.12 1k2d h ASP 157 N 3.40 -1.42 -2.58 7.02 3.32 -1.95 -3.30 116.42 120.91 1k2d h ASP 157 Ca -0.33 0.14 -0.77 0.00 0.02 0.00 0.00 57.03 56.09 1k2d h ASP 157 Cb 1.19 0.51 -0.22 0.00 0.22 0.00 0.00 39.33 41.03 1k2d h ASP 157 CO 0.52 -0.53 1.10 0.47 -1.72 0.00 0.00 179.24 179.09 1k2d n ASP 158 N -5.20 5.50 -3.80 6.45 9.92 -1.26 -4.82 116.55 123.34 1k2d n ASP 158 Ca -0.08 -3.10 -0.13 0.00 -0.53 0.00 0.00 54.79 50.95 1k2d n ASP 158 Cb 0.38 -1.44 -0.13 0.00 -0.64 0.00 0.00 41.12 39.29 1k2d n ASP 158 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1k2d s ASP 159 N 1.21 -0.16 -0.07 -2.24 1.11 -1.24 -5.07 116.67 110.21 1k2d s ASP 159 Ca 0.37 0.33 0.03 0.00 0.18 0.00 0.00 52.55 53.45 1k2d s ASP 159 Cb -0.01 0.30 0.01 0.00 1.07 0.00 0.00 42.92 44.29 1k2d s ASP 159 CO -0.00 -0.08 -0.15 -0.63 1.18 0.00 0.00 175.17 175.49 1k2d s ILE 160 N 0.39 1.32 0.01 0.77 1.09 -1.26 -4.37 121.20 119.15 1k2d s ILE 160 Ca -0.03 -0.59 0.05 0.00 -1.10 0.00 0.00 60.65 58.99 1k2d s ILE 160 Cb -0.04 -1.18 -0.02 0.00 -1.06 0.00 0.00 42.46 40.17 1k2d s ILE 160 CO -0.02 0.39 -0.16 -0.31 -0.10 0.00 0.00 174.94 174.74 1k2d s TYR 161 N 0.53 1.45 0.11 3.97 1.51 0.34 0.16 117.35 125.43 1k2d s TYR 161 Ca -0.14 -0.32 0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1k2d s TYR 161 Cb -0.16 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1k2d s TYR 161 CO 0.04 0.02 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.83 1k2d s ASP 162 N -0.77 2.14 -0.28 2.29 1.01 0.16 0.14 116.67 121.37 1k2d s ASP 162 Ca 0.05 -0.73 -0.06 0.00 0.71 0.00 0.00 52.55 52.52 1k2d s ASP 162 Cb -0.07 -0.09 -0.00 0.00 1.01 0.00 0.00 42.92 43.76 1k2d s ASP 162 CO 0.00 -0.06 0.06 0.00 0.21 0.00 0.00 175.17 175.39 1k2d s LYS 164 N 1.52 3.75 -0.13 0.00 2.20 0.35 -1.24 119.74 126.19 1k2d s LYS 164 Ca 0.04 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1k2d s LYS 164 Cb -0.16 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1k2d s LYS 164 CO 0.02 -0.44 -0.09 0.08 -0.36 0.00 0.00 175.35 174.56 1k2d s VAL 165 N 2.08 3.42 -0.13 4.02 1.01 -0.05 -0.19 120.40 130.56 1k2d s VAL 165 Ca 0.14 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1k2d s VAL 165 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1k2d s VAL 165 CO 0.11 0.53 -0.19 -1.61 0.00 0.00 0.00 175.10 173.94 1k2d s GLU 166 N 0.17 2.65 -0.02 2.72 2.02 0.31 -1.70 118.70 124.85 1k2d s GLU 166 Ca -0.05 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 1k2d s GLU 166 Cb -0.14 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.88 1k2d s GLU 166 CO 0.04 -0.07 0.17 -1.58 0.02 0.00 0.00 175.26 173.84 1k2d s HIS 167 N 0.97 -0.04 0.56 1.61 2.46 -1.26 -0.44 115.29 119.15 1k2d s HIS 167 Ca -0.05 0.05 0.26 0.00 0.47 0.00 0.00 55.06 55.79 1k2d s HIS 167 Cb -0.15 -0.01 1.48 0.00 -0.13 0.00 0.00 32.58 33.78 1k2d s HIS 167 CO -0.03 -0.26 2.03 -1.49 -2.47 0.00 0.00 174.74 172.52 1k2d h TRP 168 N 4.58 0.00 0.00 3.88 6.55 -1.90 0.17 115.95 129.23 1k2d h TRP 168 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 1k2d h TRP 168 Cb 1.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 1k2d h TRP 168 CO 0.54 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.34 1k2d n GLY 169 N -1.54 -1.18 3.60 1.49 0.00 -1.25 -4.69 105.19 101.62 1k2d n GLY 169 Ca 0.06 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1k2d n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2d s LEU 170 N -3.77 3.33 0.12 0.99 1.43 0.60 -4.50 118.68 116.88 1k2d s LEU 170 Ca 0.06 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1k2d s LEU 170 Cb 0.10 -1.75 -0.13 0.00 0.03 0.00 0.00 46.19 44.44 1k2d s LEU 170 CO 0.35 0.34 1.27 -0.33 0.23 0.00 0.00 176.35 178.20 1k2d h GLU 171 N 5.47 0.43 -4.45 1.70 5.08 -1.84 -3.44 114.58 117.53 1k2d h GLU 171 Ca -0.46 -0.49 -0.35 0.00 -1.00 0.00 0.00 59.36 57.06 1k2d h GLU 171 Cb 1.18 0.14 -0.29 0.00 0.50 0.00 0.00 28.75 30.29 1k2d h GLU 171 CO 0.55 1.14 -0.76 -2.00 -1.00 0.00 0.00 179.01 176.94 1k2d s GLU 172 N -3.21 0.56 -0.21 2.33 2.56 -1.26 -5.11 118.70 114.37 1k2d s GLU 172 Ca -0.06 -0.23 -0.37 0.00 0.00 0.00 0.00 54.97 54.31 1k2d s GLU 172 Cb 0.08 -0.54 -0.13 0.00 2.00 0.00 0.00 34.13 35.54 1k2d s GLU 172 CO 0.88 0.13 1.87 -2.30 -0.56 0.00 0.00 175.26 175.28 1k2d n PRO 173 N 2.98 1.61 -2.30 4.30 -0.02 -1.26 -4.93 135.00 135.38 1k2d n PRO 173 Ca -0.14 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1k2d n PRO 173 Cb 0.57 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1k2d n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k2d s VAL 174 N 4.32 3.18 -0.23 -1.45 1.01 -0.69 -4.84 120.40 121.70 1k2d s VAL 174 Ca 0.97 1.13 0.02 0.00 0.00 0.00 0.00 61.98 64.10 1k2d s VAL 174 Cb -0.87 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 31.84 1k2d s VAL 174 CO 0.57 0.25 -0.12 -0.76 0.00 0.00 0.00 175.10 175.04 1k2d s LEU 175 N -1.25 2.79 -0.39 3.92 1.43 -1.26 -0.87 118.68 123.04 1k2d s LEU 175 Ca 0.49 -1.09 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 1k2d s LEU 175 Cb -0.35 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1k2d s LEU 175 CO 0.44 -0.15 0.26 -0.54 0.23 0.00 0.00 176.35 176.60 1k2d s LYS 176 N 1.25 3.01 0.27 1.70 -0.14 -0.37 -4.88 119.74 120.57 1k2d s LYS 176 Ca -0.04 -0.98 -0.09 0.00 -1.36 0.00 0.00 55.97 53.50 1k2d s LYS 176 Cb -0.17 -3.87 -0.07 0.00 -1.68 0.00 0.00 37.83 32.03 1k2d s LYS 176 CO -0.08 -0.69 0.59 -1.58 -0.76 0.00 0.00 175.35 172.84 1k2d s HIS 177 N 1.65 3.44 -0.03 3.18 5.65 -1.26 0.56 115.29 128.47 1k2d s HIS 177 Ca 0.04 0.87 -0.21 0.00 0.25 0.00 0.00 55.06 56.02 1k2d s HIS 177 Cb -0.19 -2.27 0.04 0.00 -1.18 0.00 0.00 32.58 28.98 1k2d s HIS 177 CO 0.09 0.19 0.45 -0.46 -0.65 0.00 0.00 174.74 174.36 1k2d s TRP 178 N -1.95 -0.36 -0.00 3.88 -0.00 0.38 -4.95 118.94 115.94 1k2d s TRP 178 Ca 0.48 0.60 -0.27 0.00 -0.00 0.00 0.00 56.10 56.91 1k2d s TRP 178 Cb -0.11 0.21 0.06 0.00 -0.00 0.00 0.00 33.47 33.64 1k2d s TRP 178 CO 0.24 -0.47 0.60 -1.83 -0.00 0.00 0.00 176.95 175.49 1k2d s GLU 179 N -1.25 1.04 -0.65 5.86 -1.05 -1.26 -0.50 118.70 120.89 1k2d s GLU 179 Ca -0.12 0.03 -0.26 0.00 -0.15 0.00 0.00 54.97 54.47 1k2d s GLU 179 Cb -0.03 0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 34.06 1k2d s GLU 179 CO 0.06 -0.35 2.30 -1.25 0.95 0.00 0.00 175.26 176.97 1k2d s PRO 180 N -1.75 2.03 0.00 -4.83 0.04 -1.26 -5.09 135.00 124.14 1k2d s PRO 180 Ca -0.09 0.83 0.31 0.00 0.04 0.00 0.00 61.00 62.09 1k2d s PRO 180 Cb -0.01 -4.68 1.65 0.00 0.04 0.00 0.00 34.50 31.51 1k2d s PRO 180 CO 0.04 -3.63 2.09 -1.91 0.04 0.00 0.00 177.00 173.63