#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcc n HIS 2 N 0.00 0.00 0.53 0.66 1.44 -1.26 -4.71 115.22 111.89 2bcc n HIS 2 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 2bcc n HIS 2 Cb 0.00 0.00 0.45 0.00 0.12 0.00 0.00 29.99 30.56 2bcc n HIS 2 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2bcc n THR 3 N 0.00 0.70 1.42 0.61 -1.04 -1.26 -2.71 114.28 111.99 2bcc n THR 3 Ca 0.00 0.03 0.14 0.00 -2.04 0.00 0.00 64.05 62.18 2bcc n THR 3 Cb 0.00 -0.89 0.51 0.00 -1.82 0.00 0.00 70.33 68.13 2bcc n THR 3 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2bcc n ASP 4 N -2.13 1.05 -4.82 8.00 8.00 -1.26 -4.87 116.55 120.52 2bcc n ASP 4 Ca 0.04 -1.08 -0.37 0.00 0.71 0.00 0.00 54.79 54.09 2bcc n ASP 4 Cb 0.31 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 2bcc n ASP 4 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2bcc s ILE 5 N -2.27 4.79 0.02 0.53 1.01 -1.10 -5.04 121.20 119.13 2bcc s ILE 5 Ca 0.32 1.05 0.01 0.00 0.00 0.00 0.00 60.65 62.03 2bcc s ILE 5 Cb 0.20 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2bcc s ILE 5 CO 0.43 0.41 -0.04 -0.54 0.00 0.00 0.00 174.94 175.20 2bcc s LYS 6 N -1.50 0.34 -0.07 2.79 1.02 -1.26 -5.06 119.74 115.99 2bcc s LYS 6 Ca 0.33 -0.43 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 2bcc s LYS 6 Cb -0.17 -0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 2bcc s LYS 6 CO 0.19 0.03 1.00 0.08 -0.92 0.00 0.00 175.35 175.72 2bcc s VAL 7 N -0.82 4.81 1.18 3.17 1.01 -1.26 -5.01 120.40 123.48 2bcc s VAL 7 Ca -0.07 2.05 -0.18 0.00 0.00 0.00 0.00 61.98 63.78 2bcc s VAL 7 Cb -0.06 -4.32 0.22 0.00 0.00 0.00 0.00 36.38 32.22 2bcc s VAL 7 CO -0.00 0.05 0.43 -2.65 0.00 0.00 0.00 175.10 172.94 2bcc n PRO 8 N 4.67 -2.70 -3.19 2.72 -0.02 -1.26 -4.95 135.00 130.26 2bcc n PRO 8 Ca 0.08 -0.79 -0.40 0.00 -2.02 0.00 0.00 63.50 60.37 2bcc n PRO 8 Cb 0.49 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 2bcc n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2bcc s ASN 9 N -2.23 6.46 -0.04 2.55 3.04 -1.26 -4.89 114.94 118.58 2bcc s ASN 9 Ca 0.54 0.49 0.16 0.00 0.04 0.00 0.00 52.86 54.09 2bcc s ASN 9 Cb -0.12 -2.30 0.50 0.00 -1.54 0.00 0.00 41.25 37.79 2bcc s ASN 9 CO 0.54 -0.36 1.42 0.49 -3.04 0.00 0.00 177.10 176.15 2bcc n PHE 10 N 5.66 0.84 0.00 0.43 3.72 -1.26 -4.88 117.46 121.97 2bcc n PHE 10 Ca -0.03 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 2bcc n PHE 10 Cb 0.49 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2bcc n PHE 10 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2bcc n SER 11 N 0.85 0.00 -0.30 4.37 3.41 -1.26 -1.29 113.62 119.40 2bcc n SER 11 Ca 0.19 0.00 0.35 0.00 -0.26 0.00 0.00 58.87 59.15 2bcc n SER 11 Cb 0.61 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.29 2bcc n SER 11 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2bcc h ASP 12 N 0.00 0.00 -1.28 4.04 -0.00 -1.94 0.21 116.42 117.45 2bcc h ASP 12 Ca 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 57.03 57.48 2bcc h ASP 12 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 39.18 2bcc h ASP 12 CO 0.00 0.00 0.80 1.88 -0.00 0.00 0.00 179.24 181.92 2bcc h TYR 13 N 0.00 0.59 0.00 0.28 0.99 -1.90 -3.40 116.97 113.53 2bcc h TYR 13 Ca 0.55 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.31 2bcc h TYR 13 Cb 2.38 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 39.97 2bcc h TYR 13 CO 0.00 -0.30 0.00 0.54 -0.00 0.00 0.00 178.16 178.40 2bcc n ARG 14 N -4.84 0.00 0.00 4.88 5.12 0.71 -5.10 116.66 117.42 2bcc n ARG 14 Ca 0.39 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 2bcc n ARG 14 Cb 1.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.77 2bcc n ARG 14 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2bcc n ARG 15 N -1.24 0.00 -2.34 5.56 1.74 -1.11 -4.81 116.66 114.46 2bcc n ARG 15 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2bcc n ARG 15 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2bcc n ARG 15 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2bcc s PRO 16 N 0.00 4.45 0.00 5.56 0.02 -1.26 -4.71 135.00 139.05 2bcc s PRO 16 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2bcc s PRO 16 Cb 0.00 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2bcc s PRO 16 CO 0.00 -0.18 0.00 -0.35 -0.33 0.00 0.00 177.00 176.14 2bcc n PRO 17 N 2.93 0.00 0.00 5.54 -0.04 -1.26 -0.00 135.00 142.17 2bcc n PRO 17 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2bcc n PRO 17 Cb 0.44 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 2bcc n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2bcc n ASP 18 N 1.05 0.49 -3.68 3.54 9.92 -1.26 -4.92 116.55 121.69 2bcc n ASP 18 Ca 0.00 -1.12 -0.28 0.00 -0.53 0.00 0.00 54.79 52.86 2bcc n ASP 18 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2bcc n ASP 18 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2bcc s ASP 19 N -0.12 3.37 -0.46 -2.24 1.11 0.99 -4.86 116.67 114.47 2bcc s ASP 19 Ca 0.00 -3.17 0.06 0.00 0.18 0.00 0.00 52.55 49.62 2bcc s ASP 19 Cb 0.00 -1.06 0.18 0.00 1.07 0.00 0.00 42.92 43.11 2bcc s ASP 19 CO 0.00 -0.18 0.57 -0.31 1.18 0.00 0.00 175.17 176.43 2bcc s TYR 20 N -0.34 -0.69 0.00 4.23 1.51 -1.26 -4.76 117.35 116.03 2bcc s TYR 20 Ca 0.25 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2bcc s TYR 20 Cb -0.09 -0.12 0.00 0.00 -0.11 0.00 0.00 41.96 41.64 2bcc s TYR 20 CO -0.11 -1.11 0.00 0.45 -1.11 0.00 0.00 175.55 173.67 2bcc n SER 21 N 3.16 0.00 0.00 2.29 2.88 -1.26 -4.62 113.62 116.08 2bcc n SER 21 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2bcc n SER 21 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2bcc n SER 21 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bcc n THR 22 N 0.00 0.00 -3.79 2.46 -1.04 -1.26 -4.94 114.28 105.72 2bcc n THR 22 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2bcc n THR 22 Cb 0.00 -0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.37 2bcc n THR 22 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2bcc s LYS 23 N -0.01 0.14 0.16 -2.82 -2.85 -1.26 -5.13 119.74 107.97 2bcc s LYS 23 Ca 0.00 0.29 -0.21 0.00 -1.00 0.00 0.00 55.97 55.05 2bcc s LYS 23 Cb 0.00 -0.04 -0.13 0.00 -2.06 0.00 0.00 37.83 35.60 2bcc s LYS 23 CO 0.00 -0.09 0.38 0.45 0.10 0.00 0.00 175.35 176.19 2bcc n SER 24 N 3.57 -1.04 -0.01 0.03 2.88 -1.26 -4.81 113.62 112.98 2bcc n SER 24 Ca -0.19 0.85 -0.19 0.00 -1.33 0.00 0.00 58.87 58.01 2bcc n SER 24 Cb 0.56 -0.72 -0.14 0.00 -0.75 0.00 0.00 64.21 63.16 2bcc n SER 24 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2bcc h SER 25 N 0.73 0.27 -1.79 -3.46 0.02 -2.01 -3.42 113.55 103.90 2bcc h SER 25 Ca -0.22 -0.89 -0.26 0.00 -0.84 0.00 0.00 61.79 59.58 2bcc h SER 25 Cb 1.10 -0.09 0.14 0.00 0.14 0.00 0.00 62.40 63.69 2bcc h SER 25 CO 0.43 1.35 -0.62 0.54 -1.14 0.00 0.00 176.83 177.40 2bcc n ARG 26 N -4.24 -1.66 0.00 3.45 5.12 -1.26 -1.94 116.66 116.13 2bcc n ARG 26 Ca -0.17 -0.49 0.00 0.00 -1.93 0.00 0.00 57.85 55.26 2bcc n ARG 26 Cb 0.74 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 2bcc n ARG 26 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2bcc n GLU 27 N -0.91 0.00 0.00 5.56 -0.00 -1.26 -4.28 120.64 119.75 2bcc n GLU 27 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 2bcc n GLU 27 Cb 0.39 -1.08 0.00 0.00 -0.00 0.00 0.00 31.44 30.75 2bcc n GLU 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2bcc n SER 28 N 0.00 0.00 -0.29 -1.84 2.88 -0.82 -4.42 113.62 109.13 2bcc n SER 28 Ca 0.00 0.24 0.06 0.00 -1.33 0.00 0.00 58.87 57.84 2bcc n SER 28 Cb 0.00 -0.24 0.20 0.00 -0.75 0.00 0.00 64.21 63.42 2bcc n SER 28 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2bcc h ASP 29 N 0.00 0.59 0.00 -3.46 3.32 -1.60 -2.08 116.42 113.19 2bcc h ASP 29 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2bcc h ASP 29 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2bcc h ASP 29 CO 0.00 0.29 0.00 -0.81 -1.72 0.00 0.00 179.24 177.00 2bcc n PRO 30 N -4.82 0.00 0.00 3.56 -0.04 -1.26 0.45 135.00 132.89 2bcc n PRO 30 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2bcc n PRO 30 Cb 0.37 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2bcc n PRO 30 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bcc n SER 31 N 0.52 1.96 -0.12 3.54 2.88 -0.79 -4.66 113.62 116.96 2bcc n SER 31 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2bcc n SER 31 Cb 0.00 0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 2bcc n SER 31 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2bcc h ARG 32 N 0.00 0.72 -0.81 -1.46 1.12 0.95 -2.27 114.38 112.63 2bcc h ARG 32 Ca 0.00 -0.31 0.11 0.00 -1.11 0.00 0.00 59.98 58.67 2bcc h ARG 32 Cb 0.43 -0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 30.29 2bcc h ARG 32 CO 0.00 0.91 0.44 0.87 -3.11 0.00 0.00 179.97 179.08 2bcc h LYS 33 N 0.50 0.68 -0.47 0.20 1.57 -0.71 -1.53 116.57 116.81 2bcc h LYS 33 Ca 0.08 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2bcc h LYS 33 Cb 0.69 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.75 2bcc h LYS 33 CO 0.05 0.45 -0.20 0.78 -0.57 0.00 0.00 179.45 179.96 2bcc h GLY 34 N 0.70 0.16 0.94 3.86 0.00 -1.63 0.22 103.07 107.32 2bcc h GLY 34 Ca 0.41 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.97 2bcc h GLY 34 CO -0.29 -0.21 -0.26 -2.75 0.00 0.00 0.00 176.54 173.04 2bcc h PHE 35 N -0.10 -0.67 -0.29 5.60 3.57 -1.14 0.40 116.94 124.31 2bcc h PHE 35 Ca 0.22 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.79 2bcc h PHE 35 Cb 0.44 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2bcc h PHE 35 CO -0.47 -0.39 0.27 1.03 -2.23 0.00 0.00 178.31 176.53 2bcc h SER 36 N -0.79 0.00 1.02 0.41 0.87 -1.06 0.36 113.55 114.35 2bcc h SER 36 Ca -0.07 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 2bcc h SER 36 Cb 0.58 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2bcc h SER 36 CO 0.12 0.00 -1.02 1.88 -0.53 0.00 0.00 176.83 177.28 2bcc h TYR 37 N 0.00 0.00 -0.41 2.24 0.05 -0.66 -3.25 116.97 114.94 2bcc h TYR 37 Ca 0.14 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 2bcc h TYR 37 Cb 0.68 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 2bcc h TYR 37 CO 0.00 0.23 -0.08 1.25 -1.05 0.00 0.00 178.16 178.50 2bcc h LEU 38 N 0.00 0.78 0.24 3.88 5.85 0.19 1.06 115.31 127.32 2bcc h LEU 38 Ca -0.05 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2bcc h LEU 38 Cb 1.22 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2bcc h LEU 38 CO 0.02 0.96 -0.32 0.58 -0.34 0.00 0.00 178.44 179.33 2bcc h VAL 39 N 0.60 0.32 0.16 1.05 2.07 -1.43 -0.46 116.25 118.56 2bcc h VAL 39 Ca 0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2bcc h VAL 39 Cb 0.61 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2bcc h VAL 39 CO 0.04 0.00 -0.49 0.74 0.02 0.00 0.00 177.57 177.88 2bcc h THR 40 N -0.62 0.00 -0.69 2.57 2.02 -1.52 0.19 112.91 114.85 2bcc h THR 40 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2bcc h THR 40 Cb 0.60 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.90 2bcc h THR 40 CO -0.11 0.00 -0.52 0.00 0.37 0.00 0.00 175.52 175.26 2bcc h ALA 41 N -0.66 -0.51 -0.61 6.16 0.00 0.13 -0.14 119.26 123.63 2bcc h ALA 41 Ca -0.01 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2bcc h ALA 41 Cb 0.72 1.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 2bcc h ALA 41 CO -0.24 -0.93 0.19 0.28 0.00 0.00 0.00 179.25 178.55 2bcc h VAL 42 N -0.20 0.70 0.17 0.00 2.07 -0.65 0.11 116.25 118.47 2bcc h VAL 42 Ca 0.15 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2bcc h VAL 42 Cb 0.53 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2bcc h VAL 42 CO -0.76 0.06 -0.23 0.74 0.02 0.00 0.00 177.57 177.40 2bcc h THR 43 N 0.34 0.50 -0.78 2.57 2.02 0.11 0.62 112.91 118.28 2bcc h THR 43 Ca 0.32 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.66 2bcc h THR 43 Cb 0.44 0.50 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 2bcc h THR 43 CO -0.36 0.00 0.30 0.74 0.37 0.00 0.00 175.52 176.57 2bcc h THR 44 N -0.46 0.60 0.18 3.16 2.02 -0.49 0.20 112.91 118.12 2bcc h THR 44 Ca 0.01 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2bcc h THR 44 Cb 0.45 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2bcc h THR 44 CO -0.09 0.07 -0.32 0.25 0.37 0.00 0.00 175.52 175.81 2bcc h LEU 45 N 0.41 -0.92 -0.24 2.58 7.12 0.17 0.68 115.31 125.12 2bcc h LEU 45 Ca 0.44 0.09 0.06 0.00 0.13 0.00 0.00 57.88 58.60 2bcc h LEU 45 Cb 0.72 0.32 -0.07 0.00 -0.53 0.00 0.00 40.66 41.10 2bcc h LEU 45 CO -0.45 -0.37 -0.21 1.23 -0.13 0.00 0.00 178.44 178.51 2bcc h GLY 46 N -0.53 -0.09 0.00 3.75 0.00 0.10 -0.41 103.07 105.88 2bcc h GLY 46 Ca -0.02 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.68 2bcc h GLY 46 CO -0.11 -0.19 -0.08 -2.08 0.00 0.00 0.00 176.54 174.08 2bcc h VAL 47 N -0.21 0.51 -0.26 4.60 2.07 -0.42 -0.14 116.25 122.40 2bcc h VAL 47 Ca 0.14 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2bcc h VAL 47 Cb 0.42 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2bcc h VAL 47 CO -0.36 0.01 -0.49 0.00 0.02 0.00 0.00 177.57 176.74 2bcc h ALA 48 N 1.51 -0.78 -0.43 1.67 0.00 0.19 0.32 119.26 121.75 2bcc h ALA 48 Ca 0.26 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2bcc h ALA 48 Cb 0.40 1.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2bcc h ALA 48 CO -0.51 -0.99 -0.35 -0.92 0.00 0.00 0.00 179.25 176.47 2bcc h TYR 49 N -0.43 -1.10 -0.77 0.00 3.20 0.32 0.30 116.97 118.50 2bcc h TYR 49 Ca 0.05 0.06 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2bcc h TYR 49 Cb 0.56 0.54 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 2bcc h TYR 49 CO -0.65 -0.26 -0.44 0.00 -1.64 0.00 0.00 178.16 175.16 2bcc h ALA 50 N -0.31 -0.22 0.35 1.82 0.00 -0.33 -1.86 119.26 118.71 2bcc h ALA 50 Ca 0.07 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2bcc h ALA 50 Cb 0.31 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2bcc h ALA 50 CO -0.47 -0.79 -0.45 0.00 0.00 0.00 0.00 179.25 177.55 2bcc h ALA 51 N 0.83 -0.94 -0.90 0.00 0.00 0.10 -1.48 119.26 116.87 2bcc h ALA 51 Ca 0.23 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.24 2bcc h ALA 51 Cb 0.55 0.68 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 2bcc h ALA 51 CO -0.82 -1.07 0.10 -0.22 0.00 0.00 0.00 179.25 177.24 2bcc h LYS 52 N -0.84 0.09 -0.03 0.00 3.11 0.34 -1.31 116.57 117.93 2bcc h LYS 52 Ca -0.03 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.72 2bcc h LYS 52 Cb 0.77 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2bcc h LYS 52 CO -0.12 0.06 -0.32 -0.91 -2.81 0.00 0.00 179.45 175.35 2bcc h ASN 53 N 0.09 0.33 -0.98 4.20 2.35 -1.10 -2.04 115.58 118.42 2bcc h ASN 53 Ca 0.55 -0.72 0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2bcc h ASN 53 Cb 1.11 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 39.28 2bcc h ASN 53 CO -0.78 1.00 0.59 0.58 -1.65 0.00 0.00 177.43 177.17 2bcc h VAL 54 N -0.31 0.74 0.23 2.81 2.07 -0.36 0.03 116.25 121.46 2bcc h VAL 54 Ca -0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2bcc h VAL 54 Cb 1.02 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2bcc h VAL 54 CO 0.06 0.14 -0.11 0.58 0.02 0.00 0.00 177.57 178.26 2bcc h VAL 55 N 0.78 0.83 -0.67 2.57 2.07 -1.28 -1.19 116.25 119.36 2bcc h VAL 55 Ca 0.55 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.58 2bcc h VAL 55 Cb 0.81 1.17 -0.12 0.00 -1.52 0.00 0.00 31.29 31.63 2bcc h VAL 55 CO -0.36 0.13 -0.42 0.74 0.02 0.00 0.00 177.57 177.68 2bcc h THR 56 N -0.63 0.08 0.00 2.57 2.02 -0.53 0.76 112.91 117.18 2bcc h THR 56 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2bcc h THR 56 Cb 0.45 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2bcc h THR 56 CO 0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.94 2bcc n GLN 57 N -5.41 0.00 0.00 6.66 6.02 -0.10 -1.80 117.38 122.75 2bcc n GLN 57 Ca 0.03 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 2bcc n GLN 57 Cb 0.35 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2bcc n GLN 57 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2bcc n PHE 58 N -2.08 0.00 -0.04 1.08 3.01 -0.45 -0.31 117.46 118.67 2bcc n PHE 58 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2bcc n PHE 58 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 2bcc n PHE 58 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2bcc n VAL 59 N -0.31 0.45 1.75 -4.37 0.31 0.21 -4.41 118.33 111.96 2bcc n VAL 59 Ca 0.00 -0.18 0.15 0.00 -0.01 0.00 0.00 64.34 64.30 2bcc n VAL 59 Cb 0.00 -0.79 0.86 0.00 -0.91 0.00 0.00 33.84 33.01 2bcc n VAL 59 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2bcc n SER 60 N -2.67 0.00 -0.54 4.52 3.41 0.58 -3.47 113.62 115.45 2bcc n SER 60 Ca -0.13 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 2bcc n SER 60 Cb 0.65 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2bcc n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bcc n SER 61 N -1.11 0.54 0.11 4.04 3.41 -0.86 -3.40 113.62 116.35 2bcc n SER 61 Ca 0.20 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 2bcc n SER 61 Cb 0.16 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2bcc n SER 61 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2bcc n MET 62 N 0.30 0.00 -1.50 4.33 0.00 -1.24 -5.08 117.12 113.93 2bcc n MET 62 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 57.70 57.09 2bcc n MET 62 Cb 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.25 2bcc n MET 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2bcc n SER 63 N -2.94 1.01 -0.44 3.17 2.88 -1.22 -4.28 113.62 111.80 2bcc n SER 63 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2bcc n SER 63 Cb 0.00 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2bcc n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bcc n ALA 64 N 4.46 0.00 -2.02 -1.46 0.00 -1.26 -4.83 120.51 115.40 2bcc n ALA 64 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 2bcc n ALA 64 Cb -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 2bcc n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2bcc n SER 65 N -3.10 -0.53 -0.06 0.00 7.64 -1.26 -4.97 113.62 111.34 2bcc n SER 65 Ca 0.00 -1.64 -0.00 0.00 1.01 0.00 0.00 58.87 58.23 2bcc n SER 65 Cb 0.00 0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2bcc n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bcc n ALA 66 N 0.02 -0.00 -3.74 -0.43 0.00 -1.26 -4.72 120.51 110.38 2bcc n ALA 66 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 2bcc n ALA 66 Cb 0.65 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 2bcc n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bcc n ASP 67 N 1.72 2.44 -4.36 0.00 8.00 -1.26 -5.06 116.55 118.02 2bcc n ASP 67 Ca -0.00 -3.08 -0.31 0.00 0.71 0.00 0.00 54.79 52.11 2bcc n ASP 67 Cb 0.15 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.40 2bcc n ASP 67 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bcc s VAL 68 N -1.32 2.30 0.00 2.53 1.01 -1.26 -5.14 120.40 118.52 2bcc s VAL 68 Ca 0.28 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2bcc s VAL 68 Cb -0.00 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2bcc s VAL 68 CO -0.16 0.43 0.00 0.18 0.00 0.00 0.00 175.10 175.55 2bcc n LEU 69 N 1.94 0.00 0.00 3.92 4.77 -1.26 -5.16 117.00 121.21 2bcc n LEU 69 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2bcc n LEU 69 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2bcc n LEU 69 CO 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 2bcc n ALA 70 N -3.00 0.00 -1.72 -1.18 0.00 -1.26 -5.08 120.51 108.27 2bcc n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bcc n ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bcc n ALA 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2bcc n MET 71 N -0.30 0.00 0.00 0.00 2.81 -1.26 -5.02 117.12 113.35 2bcc n MET 71 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2bcc n MET 71 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2bcc n MET 71 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2bcc n SER 72 N 0.00 0.00 -4.48 7.83 2.88 -1.26 -4.39 113.62 114.20 2bcc n SER 72 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2bcc n SER 72 Cb 0.35 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.68 2bcc n SER 72 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2bcc s LYS 73 N -1.12 2.73 -0.10 -1.46 1.02 -1.25 -2.77 119.74 116.78 2bcc s LYS 73 Ca 0.00 -0.66 -0.08 0.00 0.02 0.00 0.00 55.97 55.24 2bcc s LYS 73 Cb 0.00 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2bcc s LYS 73 CO 0.00 0.55 0.27 -1.50 -0.92 0.00 0.00 175.35 173.75 2bcc s ILE 74 N -0.53 -0.01 -0.14 2.17 2.07 -1.07 -4.99 121.20 118.70 2bcc s ILE 74 Ca 0.07 0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.29 2bcc s ILE 74 Cb -0.12 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 2bcc s ILE 74 CO 0.02 0.02 0.08 -1.61 -1.91 0.00 0.00 174.94 171.53 2bcc s GLU 75 N 0.50 3.58 -0.03 3.50 2.02 -1.26 -2.25 118.70 124.75 2bcc s GLU 75 Ca -0.03 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 54.69 2bcc s GLU 75 Cb -0.04 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 31.09 2bcc s GLU 75 CO -0.03 0.54 -0.03 0.42 0.02 0.00 0.00 175.26 176.19 2bcc s ILE 76 N -0.38 0.39 -0.60 -1.63 1.01 0.29 -5.01 121.20 115.26 2bcc s ILE 76 Ca 0.10 -0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.40 2bcc s ILE 76 Cb -0.12 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.95 2bcc s ILE 76 CO 0.02 0.18 1.24 -0.75 0.00 0.00 0.00 174.94 175.63 2bcc s LYS 77 N 0.79 3.44 0.65 2.79 2.20 -1.26 -2.03 119.74 126.32 2bcc s LYS 77 Ca -0.09 0.22 0.32 0.00 -0.36 0.00 0.00 55.97 56.05 2bcc s LYS 77 Cb -0.13 -4.05 1.73 0.00 -1.51 0.00 0.00 37.83 33.87 2bcc s LYS 77 CO -0.00 -1.78 2.00 -0.07 -0.36 0.00 0.00 175.35 175.14 2bcc h LEU 78 N 12.25 0.00 0.00 5.43 3.38 0.10 0.71 115.31 137.18 2bcc h LEU 78 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2bcc h LEU 78 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bcc h LEU 78 CO 1.20 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.19 2bcc n SER 79 N -3.14 0.00 0.21 -0.43 3.41 -1.26 -2.59 113.62 109.82 2bcc n SER 79 Ca -0.00 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 2bcc n SER 79 Cb 0.37 -0.50 0.44 0.00 -0.26 0.00 0.00 64.21 64.25 2bcc n SER 79 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2bcc h ASP 80 N 0.00 0.00 -3.86 4.04 3.32 -1.22 -3.36 116.42 115.33 2bcc h ASP 80 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2bcc h ASP 80 Cb 0.44 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.64 2bcc h ASP 80 CO 0.00 0.26 -0.21 -0.63 -1.72 0.00 0.00 179.24 176.94 2bcc s ILE 81 N -3.67 4.17 0.98 0.35 1.01 -1.07 -5.04 121.20 117.93 2bcc s ILE 81 Ca 0.00 -3.22 -0.11 0.00 0.00 0.00 0.00 60.65 57.31 2bcc s ILE 81 Cb 0.11 -3.65 0.18 0.00 0.01 0.00 0.00 42.46 39.11 2bcc s ILE 81 CO 0.65 -0.97 1.09 -2.16 0.00 0.00 0.00 174.94 173.55 2bcc s PRO 82 N -0.49 0.53 0.27 2.79 0.04 -1.26 -4.54 135.00 132.33 2bcc s PRO 82 Ca 0.21 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 2bcc s PRO 82 Cb -0.15 -1.70 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 2bcc s PRO 82 CO -0.07 -2.82 1.54 -1.21 0.04 0.00 0.00 177.00 174.48 2bcc s GLU 83 N -4.68 4.18 0.00 4.56 2.02 -1.26 -3.20 118.70 120.32 2bcc s GLU 83 Ca 0.66 2.47 0.00 0.00 0.02 0.00 0.00 54.97 58.12 2bcc s GLU 83 Cb -0.22 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.95 2bcc s GLU 83 CO 0.60 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2bcc n GLY 84 N 2.28 3.31 3.74 -1.39 0.00 -0.62 -4.97 105.19 107.53 2bcc n GLY 84 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2bcc n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bcc s LYS 85 N -0.71 2.67 -0.14 1.61 2.20 -1.19 -4.96 119.74 119.21 2bcc s LYS 85 Ca 0.00 -1.06 0.01 0.00 -0.36 0.00 0.00 55.97 54.56 2bcc s LYS 85 Cb 0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 2bcc s LYS 85 CO 0.00 0.44 -0.18 1.21 -0.36 0.00 0.00 175.35 176.46 2bcc s ASN 86 N -3.30 3.46 -0.09 1.43 2.47 -1.26 -2.22 114.94 115.43 2bcc s ASN 86 Ca 0.30 -0.51 -0.04 0.00 0.42 0.00 0.00 52.86 53.03 2bcc s ASN 86 Cb -0.09 -1.52 -0.04 0.00 -1.45 0.00 0.00 41.25 38.16 2bcc s ASN 86 CO 0.22 0.09 0.06 -0.32 -3.72 0.00 0.00 177.10 173.43 2bcc s MET 87 N 0.75 3.17 -0.17 0.43 -2.45 -0.91 -4.98 119.30 115.14 2bcc s MET 87 Ca -0.07 -0.31 -0.06 0.00 -1.25 0.00 0.00 55.69 54.01 2bcc s MET 87 Cb -0.16 -2.95 -0.03 0.00 1.25 0.00 0.00 34.83 32.94 2bcc s MET 87 CO 0.00 0.73 0.02 0.00 1.05 0.00 0.00 175.02 176.82 2bcc s ALA 88 N -0.97 3.20 0.27 4.11 0.00 -1.26 -2.44 121.76 124.67 2bcc s ALA 88 Ca 0.15 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.41 2bcc s ALA 88 Cb -0.12 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 2bcc s ALA 88 CO 0.04 0.15 -0.07 -0.06 0.00 0.00 0.00 175.76 175.81 2bcc s PHE 89 N 0.45 2.55 -0.19 0.00 0.40 0.60 -4.94 117.98 116.85 2bcc s PHE 89 Ca -0.00 -0.26 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 2bcc s PHE 89 Cb -0.13 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 2bcc s PHE 89 CO 0.02 0.66 0.71 0.21 0.70 0.00 0.00 175.22 177.52 2bcc s LYS 90 N -3.61 4.24 -0.29 0.44 2.20 -1.26 -1.80 119.74 119.65 2bcc s LYS 90 Ca 0.31 0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 56.55 2bcc s LYS 90 Cb -0.06 -3.58 0.10 0.00 -1.51 0.00 0.00 37.83 32.78 2bcc s LYS 90 CO 0.18 -0.30 0.71 -0.46 -0.36 0.00 0.00 175.35 175.12 2bcc s TRP 91 N 2.08 -1.10 -1.54 4.03 -0.00 -1.22 -4.94 118.94 116.24 2bcc s TRP 91 Ca 0.32 2.10 -0.16 0.00 -0.00 0.00 0.00 56.10 58.36 2bcc s TRP 91 Cb -0.16 0.66 0.14 0.00 -0.00 0.00 0.00 33.47 34.11 2bcc s TRP 91 CO 0.11 -0.55 0.67 0.54 -0.00 0.00 0.00 176.95 177.72 2bcc n ARG 92 N 4.62 -2.98 -0.68 5.86 1.74 -1.26 -1.49 116.66 122.47 2bcc n ARG 92 Ca -0.17 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2bcc n ARG 92 Cb 0.56 -5.06 0.00 0.00 -1.02 0.00 0.00 32.46 26.94 2bcc n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bcc n GLY 93 N -1.26 1.39 3.19 -0.13 0.00 -1.26 -5.00 105.19 102.12 2bcc n GLY 93 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2bcc n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bcc s LYS 94 N -0.10 0.64 0.94 1.61 -0.14 -0.55 -5.16 119.74 116.99 2bcc s LYS 94 Ca 0.00 -0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.10 2bcc s LYS 94 Cb 0.00 0.28 0.11 0.00 -1.68 0.00 0.00 37.83 36.54 2bcc s LYS 94 CO 0.00 -0.18 0.86 -2.30 -0.76 0.00 0.00 175.35 172.97 2bcc n PRO 95 N 1.08 -0.45 -3.94 -1.68 -0.02 -1.26 -3.43 135.00 125.30 2bcc n PRO 95 Ca -0.21 -0.07 -0.19 0.00 -2.02 0.00 0.00 63.50 61.01 2bcc n PRO 95 Cb 0.57 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 2bcc n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bcc s LEU 96 N -4.54 1.07 -0.02 2.45 2.96 -0.74 -2.32 118.68 117.54 2bcc s LEU 96 Ca 0.63 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2bcc s LEU 96 Cb -0.22 -0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 2bcc s LEU 96 CO 0.62 -0.11 0.21 -0.36 -1.32 0.00 0.00 176.35 175.39 2bcc s PHE 97 N 1.18 3.57 -0.22 5.38 0.08 0.25 -0.29 117.98 127.93 2bcc s PHE 97 Ca -0.07 0.47 -0.04 0.00 0.12 0.00 0.00 56.93 57.41 2bcc s PHE 97 Cb -0.13 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.51 2bcc s PHE 97 CO -0.02 0.65 0.27 0.08 -0.10 0.00 0.00 175.22 176.10 2bcc s VAL 98 N -1.27 -0.41 -0.03 -0.44 1.01 -1.02 -2.01 120.40 116.24 2bcc s VAL 98 Ca 0.26 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2bcc s VAL 98 Cb -0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2bcc s VAL 98 CO 0.15 -0.19 -0.25 -0.60 0.00 0.00 0.00 175.10 174.22 2bcc s ARG 99 N 2.39 2.14 -0.38 2.72 3.52 0.12 -2.14 118.95 127.32 2bcc s ARG 99 Ca 0.09 -0.89 -0.19 0.00 -0.13 0.00 0.00 55.73 54.60 2bcc s ARG 99 Cb -0.16 -2.00 0.01 0.00 -1.56 0.00 0.00 34.95 31.24 2bcc s ARG 99 CO -0.13 0.50 0.55 -1.58 -0.81 0.00 0.00 175.30 173.83 2bcc s HIS 100 N -0.49 3.15 0.02 5.12 5.65 -0.94 -1.46 115.29 126.33 2bcc s HIS 100 Ca 0.07 0.07 -0.11 0.00 0.25 0.00 0.00 55.06 55.34 2bcc s HIS 100 Cb -0.11 -3.05 -0.05 0.00 -1.18 0.00 0.00 32.58 28.19 2bcc s HIS 100 CO 0.00 -0.65 0.36 1.03 -0.65 0.00 0.00 174.74 174.83 2bcc s ARG 101 N 2.50 3.77 0.82 2.88 0.52 0.13 -1.60 118.95 127.97 2bcc s ARG 101 Ca 0.19 0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.50 2bcc s ARG 101 Cb -0.15 -3.12 0.10 0.00 0.52 0.00 0.00 34.95 32.30 2bcc s ARG 101 CO 0.15 0.65 1.18 0.95 0.02 0.00 0.00 175.30 178.25 2bcc s THR 102 N -1.22 2.03 0.13 0.02 -4.23 -1.26 -4.71 115.64 106.40 2bcc s THR 102 Ca 0.27 -0.04 -0.21 0.00 -1.18 0.00 0.00 61.69 60.53 2bcc s THR 102 Cb -0.15 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 2bcc s THR 102 CO 0.14 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.41 2bcc h LYS 103 N -1.09 -0.10 -0.43 3.99 3.64 -1.98 -1.65 116.57 118.95 2bcc h LYS 103 Ca -0.45 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.99 2bcc h LYS 103 Cb 1.31 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 2bcc h LYS 103 CO 0.61 -0.07 0.14 -0.22 -2.27 0.00 0.00 179.45 177.64 2bcc h LYS 104 N -0.10 0.29 0.85 1.90 3.64 -1.99 -1.29 116.57 119.86 2bcc h LYS 104 Ca 0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2bcc h LYS 104 Cb 0.23 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2bcc h LYS 104 CO -0.21 0.19 -0.41 0.93 -2.27 0.00 0.00 179.45 177.69 2bcc h GLU 105 N 0.30 -1.10 -0.94 1.90 5.08 -1.85 -0.46 114.58 117.52 2bcc h GLU 105 Ca 0.20 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.82 2bcc h GLU 105 Cb 0.21 0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 2bcc h GLU 105 CO -0.22 -0.72 0.60 0.82 -1.00 0.00 0.00 179.01 178.49 2bcc h ILE 106 N -1.21 0.73 0.02 3.13 2.04 -1.24 0.15 117.51 121.13 2bcc h ILE 106 Ca -0.12 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2bcc h ILE 106 Cb 0.88 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2bcc h ILE 106 CO 0.19 0.11 -0.01 0.44 0.00 0.00 0.00 178.15 178.88 2bcc h ASP 107 N 0.60 -0.03 -0.46 1.72 3.32 -1.06 -2.53 116.42 117.97 2bcc h ASP 107 Ca 0.50 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2bcc h ASP 107 Cb 0.97 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2bcc h ASP 107 CO -0.25 0.27 0.13 -0.61 -1.72 0.00 0.00 179.24 177.06 2bcc h GLN 108 N -0.33 0.80 0.00 3.56 4.15 0.28 -1.28 115.11 122.29 2bcc h GLN 108 Ca -0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 2bcc h GLN 108 Cb 0.31 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 2bcc h GLN 108 CO 0.01 0.72 -0.12 0.93 -1.93 0.00 0.00 178.83 178.44 2bcc h GLU 109 N 0.77 0.00 0.00 1.69 4.39 -0.70 -1.97 114.58 118.77 2bcc h GLU 109 Ca 0.17 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.61 2bcc h GLU 109 Cb 0.28 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2bcc h GLU 109 CO -0.00 0.12 -1.60 0.00 -1.16 0.00 0.00 179.01 176.36 2bcc h ALA 110 N 1.88 0.73 0.00 3.43 0.00 -0.99 -3.32 119.26 121.00 2bcc h ALA 110 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.60 2bcc h ALA 110 Cb 0.47 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2bcc h ALA 110 CO 0.02 1.43 0.00 0.00 0.00 0.00 0.00 179.25 180.69 2bcc n ALA 111 N -2.51 2.21 -2.07 0.00 0.00 -0.53 -4.82 120.51 112.80 2bcc n ALA 111 Ca -0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2bcc n ALA 111 Cb 1.00 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 2bcc n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bcc s VAL 112 N -2.00 3.27 -1.02 0.00 1.01 -1.06 -4.91 120.40 115.70 2bcc s VAL 112 Ca 0.27 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.01 2bcc s VAL 112 Cb 0.12 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2bcc s VAL 112 CO 0.21 0.13 1.94 -0.70 0.00 0.00 0.00 175.10 176.67 2bcc s GLU 113 N 0.27 2.55 0.41 2.72 -6.30 -1.26 -4.83 118.70 112.26 2bcc s GLU 113 Ca 0.59 -0.65 0.08 0.00 -2.50 0.00 0.00 54.97 52.49 2bcc s GLU 113 Cb -0.36 -5.14 0.85 0.00 0.00 0.00 0.00 34.13 29.48 2bcc s GLU 113 CO 0.36 -3.60 2.01 0.28 0.02 0.00 0.00 175.26 174.33 2bcc h VAL 114 N 6.82 1.12 0.00 3.70 2.07 -1.93 -2.42 116.25 125.62 2bcc h VAL 114 Ca 0.15 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2bcc h VAL 114 Cb 0.98 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2bcc h VAL 114 CO 1.22 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 177.42 2bcc n SER 115 N -4.41 0.71 -1.14 0.57 3.41 -1.26 -2.62 113.62 108.89 2bcc n SER 115 Ca 0.01 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 2bcc n SER 115 Cb 0.14 -0.82 0.23 0.00 -0.26 0.00 0.00 64.21 63.50 2bcc n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bcc n GLN 116 N -2.28 2.52 -2.80 4.33 1.13 -0.91 -4.99 117.38 114.37 2bcc n GLN 116 Ca 0.02 -2.33 -0.36 0.00 -1.94 0.00 0.00 57.00 52.40 2bcc n GLN 116 Cb 0.25 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.03 2bcc n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2bcc s LEU 117 N -1.29 4.23 0.12 1.08 1.43 -1.08 -4.97 118.68 118.20 2bcc s LEU 117 Ca 0.39 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 2bcc s LEU 117 Cb 0.22 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 2bcc s LEU 117 CO 0.30 -0.15 1.70 -0.09 0.23 0.00 0.00 176.35 178.34 2bcc h ARG 118 N 2.82 0.43 -3.75 1.70 2.43 -1.89 -3.29 114.38 112.83 2bcc h ARG 118 Ca -0.47 -0.06 -0.64 0.00 -0.81 0.00 0.00 59.98 57.99 2bcc h ARG 118 Cb 1.19 -0.08 -0.41 0.00 -0.42 0.00 0.00 29.97 30.25 2bcc h ARG 118 CO 0.64 0.39 -0.67 0.34 -1.51 0.00 0.00 179.97 179.17 2bcc s ASP 119 N -5.64 4.39 -0.18 -3.80 2.15 -1.26 -5.01 116.67 107.32 2bcc s ASP 119 Ca -0.13 -2.70 -0.28 0.00 0.43 0.00 0.00 52.55 49.86 2bcc s ASP 119 Cb 0.09 -1.57 -0.05 0.00 -0.30 0.00 0.00 42.92 41.08 2bcc s ASP 119 CO 0.72 -0.28 2.12 -2.16 -0.17 0.00 0.00 175.17 175.40 2bcc s PRO 120 N 0.15 3.34 -0.28 4.34 0.04 -1.24 -4.82 135.00 136.53 2bcc s PRO 120 Ca 0.15 2.07 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 2bcc s PRO 120 Cb -0.24 -4.31 0.09 0.00 0.04 0.00 0.00 34.50 30.08 2bcc s PRO 120 CO -0.03 -1.86 0.77 -0.65 0.04 0.00 0.00 177.00 175.27 2bcc s GLN 121 N 5.91 0.68 0.09 4.56 -0.21 -1.26 -5.10 119.66 124.32 2bcc s GLN 121 Ca 0.96 1.02 -0.23 0.00 0.02 0.00 0.00 55.36 57.13 2bcc s GLN 121 Cb -0.34 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.82 2bcc s GLN 121 CO 0.36 -0.12 0.71 -1.58 -2.12 0.00 0.00 175.29 172.54 2bcc s HIS 122 N 1.12 3.81 0.36 0.91 5.65 -1.26 -4.94 115.29 120.93 2bcc s HIS 122 Ca -0.06 1.46 0.17 0.00 0.25 0.00 0.00 55.06 56.87 2bcc s HIS 122 Cb -0.05 -2.70 1.21 0.00 -1.18 0.00 0.00 32.58 29.86 2bcc s HIS 122 CO -0.12 0.45 1.58 0.22 -0.65 0.00 0.00 174.74 176.22 2bcc h ASP 123 N 4.90 0.17 0.84 9.88 3.58 -1.94 0.27 116.42 134.12 2bcc h ASP 123 Ca -0.47 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2bcc h ASP 123 Cb 1.21 0.31 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2bcc h ASP 123 CO 0.67 -0.40 0.00 -0.07 -2.88 0.00 0.00 179.24 176.56 2bcc h LEU 124 N 0.02 0.00 -1.94 2.28 3.38 -1.90 -2.46 115.31 114.70 2bcc h LEU 124 Ca 0.79 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.76 2bcc h LEU 124 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2bcc h LEU 124 CO -0.79 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 175.90 2bcc n GLU 125 N -2.76 2.30 -0.00 1.13 0.28 0.93 -4.04 120.64 118.47 2bcc n GLU 125 Ca 0.01 -1.92 0.05 0.00 -0.16 0.00 0.00 57.16 55.14 2bcc n GLU 125 Cb 0.26 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.59 2bcc n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2bcc n ARG 126 N 1.22 2.76 -4.21 3.44 1.74 -0.94 -4.99 116.66 115.68 2bcc n ARG 126 Ca 0.17 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.10 2bcc n ARG 126 Cb 0.56 -1.05 -0.10 0.00 -1.02 0.00 0.00 32.46 30.84 2bcc n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2bcc s VAL 127 N -2.17 0.39 -0.21 1.55 -7.23 -1.15 -4.87 120.40 106.71 2bcc s VAL 127 Ca 0.02 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 2bcc s VAL 127 Cb 0.07 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 2bcc s VAL 127 CO 0.43 -0.36 -0.33 0.29 -0.31 0.00 0.00 175.10 174.82 2bcc n LYS 128 N -0.22 0.52 -3.70 4.82 5.02 -1.26 -4.83 118.16 118.51 2bcc n LYS 128 Ca -0.04 0.22 -0.38 0.00 -2.02 0.00 0.00 58.31 56.09 2bcc n LYS 128 Cb 0.64 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 34.14 2bcc n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2bcc s LYS 129 N -2.67 3.52 0.67 1.97 1.02 -1.26 -4.98 119.74 118.01 2bcc s LYS 129 Ca -0.31 -0.58 0.33 0.00 0.02 0.00 0.00 55.97 55.42 2bcc s LYS 129 Cb 0.09 -3.46 1.79 0.00 -0.52 0.00 0.00 37.83 35.73 2bcc s LYS 129 CO 0.43 -0.29 2.01 -1.35 -0.92 0.00 0.00 175.35 175.22 2bcc h PRO 130 N 8.30 0.00 -0.01 -1.68 0.11 -1.97 0.29 132.00 137.04 2bcc h PRO 130 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2bcc h PRO 130 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bcc h PRO 130 CO 0.59 0.00 -0.34 -0.85 -0.21 0.00 0.00 178.00 177.19 2bcc n GLU 131 N -2.93 0.55 -3.98 1.05 0.00 -1.26 -4.72 120.64 109.36 2bcc n GLU 131 Ca -0.02 -0.32 -0.30 0.00 0.00 0.00 0.00 57.16 56.52 2bcc n GLU 131 Cb 0.32 -1.49 -0.16 0.00 0.00 0.00 0.00 31.44 30.11 2bcc n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2bcc s TRP 132 N -2.67 2.15 -0.12 -1.84 0.23 0.10 0.19 118.94 116.97 2bcc s TRP 132 Ca 0.20 -1.32 0.02 0.00 -2.03 0.00 0.00 56.10 52.97 2bcc s TRP 132 Cb 0.19 -1.54 -0.00 0.00 0.03 0.00 0.00 33.47 32.14 2bcc s TRP 132 CO 0.58 -0.68 -0.19 0.54 0.96 0.00 0.00 176.95 178.16 2bcc s VAL 133 N 1.49 2.50 -0.10 4.03 0.11 -0.54 -4.32 120.40 123.56 2bcc s VAL 133 Ca 0.02 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.25 2bcc s VAL 133 Cb -0.15 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 2bcc s VAL 133 CO -0.09 0.54 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.36 2bcc s ILE 134 N 0.48 1.99 0.06 7.04 1.01 -1.26 0.16 121.20 130.68 2bcc s ILE 134 Ca -0.13 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 2bcc s ILE 134 Cb -0.17 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2bcc s ILE 134 CO 0.05 0.54 -0.04 -0.76 0.00 0.00 0.00 174.94 174.74 2bcc s LEU 135 N 0.44 2.49 -0.38 2.97 1.43 -0.85 -4.49 118.68 120.29 2bcc s LEU 135 Ca -0.17 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.72 2bcc s LEU 135 Cb -0.17 0.13 0.01 0.00 0.03 0.00 0.00 46.19 46.19 2bcc s LEU 135 CO 0.07 -0.56 0.75 -0.63 0.23 0.00 0.00 176.35 176.21 2bcc s ILE 136 N -3.78 4.76 0.00 -0.59 -1.09 -0.08 0.86 121.20 121.28 2bcc s ILE 136 Ca 0.08 0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 2bcc s ILE 136 Cb 0.07 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 2bcc s ILE 136 CO -0.08 -0.45 1.27 0.61 -1.23 0.00 0.00 174.94 175.06 2bcc n GLY 137 N 4.64 1.58 2.98 6.18 0.00 -0.98 -4.44 105.19 115.15 2bcc n GLY 137 Ca 0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2bcc n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bcc s VAL 138 N 1.49 1.41 0.33 1.61 1.01 -1.26 -3.94 120.40 121.04 2bcc s VAL 138 Ca 0.11 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2bcc s VAL 138 Cb 0.05 -1.37 -0.11 0.00 0.00 0.00 0.00 36.38 34.96 2bcc s VAL 138 CO 0.00 0.40 1.40 0.00 0.00 0.00 0.00 175.10 176.90 2bcc h THR 140 N 3.12 0.00 0.00 0.00 1.35 -1.90 -2.15 112.91 113.33 2bcc h THR 140 Ca -0.49 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2bcc h THR 140 Cb 1.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2bcc h THR 140 CO 0.68 0.00 0.00 1.57 -0.25 0.00 0.00 175.52 177.52 2bcc n HIS 141 N -2.64 0.00 -1.81 4.73 -0.00 -1.26 -4.62 115.22 109.62 2bcc n HIS 141 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.78 2bcc n HIS 141 Cb 0.36 -0.31 0.05 0.00 -0.00 0.00 0.00 29.99 30.08 2bcc n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2bcc n LEU 142 N -1.43 0.80 0.00 0.27 4.77 -1.26 -4.95 117.00 115.20 2bcc n LEU 142 Ca 0.00 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 2bcc n LEU 142 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2bcc n LEU 142 CO 0.00 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2bcc n GLY 143 N -0.35 0.59 3.91 -0.72 0.00 -0.81 -5.04 105.19 102.78 2bcc n GLY 143 Ca 0.05 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2bcc n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bcc s VAL 145 N -3.28 4.95 0.39 0.00 1.01 -1.26 -0.42 120.40 121.79 2bcc s VAL 145 Ca 0.59 1.21 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 2bcc s VAL 145 Cb -0.11 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 2bcc s VAL 145 CO 0.47 -0.00 1.29 -2.84 0.00 0.00 0.00 175.10 174.01 2bcc s PRO 146 N 2.58 4.06 -0.27 2.72 0.02 -1.25 -4.72 135.00 138.14 2bcc s PRO 146 Ca 0.28 2.13 -0.18 0.00 0.02 0.00 0.00 61.00 63.24 2bcc s PRO 146 Cb -0.15 -2.81 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 2bcc s PRO 146 CO 0.08 -0.41 0.53 0.42 -0.33 0.00 0.00 177.00 177.30 2bcc s ILE 147 N -1.25 5.05 0.30 2.83 1.01 0.43 -4.83 121.20 124.74 2bcc s ILE 147 Ca 0.55 0.88 -0.28 0.00 0.00 0.00 0.00 60.65 61.80 2bcc s ILE 147 Cb -0.37 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 2bcc s ILE 147 CO 0.48 0.05 1.00 0.00 0.00 0.00 0.00 174.94 176.47 2bcc s ALA 148 N 2.36 3.28 -0.57 9.38 0.00 -1.26 -1.51 121.76 133.42 2bcc s ALA 148 Ca 0.22 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 2bcc s ALA 148 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2bcc s ALA 148 CO 0.09 0.04 0.41 0.09 0.00 0.00 0.00 175.76 176.39 2bcc n ASN 149 N 0.89 -3.67 -3.71 0.00 3.02 -1.18 -5.00 115.26 105.62 2bcc n ASN 149 Ca 0.00 -0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 2bcc n ASN 149 Cb 0.48 -2.33 -0.06 0.00 -0.61 0.00 0.00 39.78 37.26 2bcc n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bcc s ALA 150 N -3.03 -0.74 0.00 5.41 0.00 -1.24 -5.07 121.76 117.09 2bcc s ALA 150 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2bcc s ALA 150 Cb -0.09 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.58 2bcc s ALA 150 CO 0.25 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2bcc n GLY 151 N 0.02 0.88 0.78 0.00 0.00 -1.26 -3.36 105.19 102.25 2bcc n GLY 151 Ca -0.16 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 43.86 2bcc n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bcc n ASP 152 N 0.00 2.32 -0.52 1.61 8.00 -1.26 -4.21 116.55 122.49 2bcc n ASP 152 Ca 0.00 -1.86 0.06 0.00 0.71 0.00 0.00 54.79 53.70 2bcc n ASP 152 Cb 0.00 -0.19 0.11 0.00 -0.02 0.00 0.00 41.12 41.01 2bcc n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2bcc n PHE 153 N 0.75 0.00 -1.47 1.24 3.01 -1.26 -4.99 117.46 114.74 2bcc n PHE 153 Ca 0.17 -0.81 -0.12 0.00 1.01 0.00 0.00 57.45 57.70 2bcc n PHE 153 Cb 0.41 -0.15 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 2bcc n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bcc n GLY 154 N -0.73 0.92 0.00 1.37 0.00 -1.26 -4.00 105.19 101.49 2bcc n GLY 154 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2bcc n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bcc n GLY 155 N -0.28 0.09 3.55 -0.02 0.00 -0.96 -4.21 105.19 103.36 2bcc n GLY 155 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2bcc n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bcc s TYR 156 N 0.00 0.70 -0.18 1.61 2.02 -0.14 -3.10 117.35 118.26 2bcc s TYR 156 Ca 0.00 -1.02 -0.16 0.00 -0.37 0.00 0.00 57.07 55.51 2bcc s TYR 156 Cb 0.00 0.09 0.05 0.00 -0.40 0.00 0.00 41.96 41.70 2bcc s TYR 156 CO 0.00 -1.10 0.48 -0.47 -1.57 0.00 0.00 175.55 172.89 2bcc s TYR 157 N -3.41 -0.54 -0.37 2.71 5.04 -0.57 -1.02 117.35 119.19 2bcc s TYR 157 Ca 0.26 1.29 -0.09 0.00 -2.44 0.00 0.00 57.07 56.10 2bcc s TYR 157 Cb -0.01 0.19 0.04 0.00 0.35 0.00 0.00 41.96 42.54 2bcc s TYR 157 CO 0.15 -0.26 0.18 0.00 -1.34 0.00 0.00 175.55 174.27 2bcc n PRO 159 N 4.91 0.12 -0.01 0.00 -0.04 -1.26 -0.77 135.00 137.95 2bcc n PRO 159 Ca -0.12 0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.35 2bcc n PRO 159 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 2bcc n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bcc n HIS 161 N -4.40 0.00 -2.38 0.00 8.25 -1.20 -5.07 115.22 110.42 2bcc n HIS 161 Ca -0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.30 2bcc n HIS 161 Cb 0.59 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.73 2bcc n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bcc n GLY 162 N 0.00 0.22 3.72 -1.41 0.00 0.05 -4.63 105.19 103.13 2bcc n GLY 162 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2bcc n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bcc s SER 163 N -3.37 6.50 -0.21 1.61 0.01 -1.22 -4.11 113.70 112.91 2bcc s SER 163 Ca 0.01 0.58 -0.09 0.00 1.31 0.00 0.00 55.95 57.76 2bcc s SER 163 Cb -0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2bcc s SER 163 CO 0.21 0.06 0.12 -1.00 0.41 0.00 0.00 173.24 173.04 2bcc s HIS 164 N 0.56 3.32 0.14 2.43 0.09 0.22 -1.68 115.29 120.36 2bcc s HIS 164 Ca 0.19 0.18 0.08 0.00 -0.00 0.00 0.00 55.06 55.52 2bcc s HIS 164 Cb -0.14 -2.18 -0.04 0.00 -0.00 0.00 0.00 32.58 30.22 2bcc s HIS 164 CO 0.06 0.14 -0.12 0.71 -0.00 0.00 0.00 174.74 175.52 2bcc s TYR 165 N 0.67 2.64 0.59 1.40 1.51 -0.19 -0.86 117.35 123.11 2bcc s TYR 165 Ca 0.06 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 2bcc s TYR 165 Cb -0.12 -1.35 0.07 0.00 -0.11 0.00 0.00 41.96 40.45 2bcc s TYR 165 CO 0.01 0.45 0.82 0.16 -1.11 0.00 0.00 175.55 175.87 2bcc s ASP 166 N -2.42 4.99 0.00 2.29 1.47 -0.66 -0.97 116.67 121.38 2bcc s ASP 166 Ca 0.22 -0.41 0.02 0.00 1.18 0.00 0.00 52.55 53.56 2bcc s ASP 166 Cb -0.10 -0.26 0.11 0.00 -0.34 0.00 0.00 42.92 42.33 2bcc s ASP 166 CO 0.13 -1.37 0.89 0.00 0.68 0.00 0.00 175.17 175.50 2bcc n ALA 167 N -2.40 1.30 1.02 2.11 0.00 -1.26 0.46 120.51 121.75 2bcc n ALA 167 Ca 0.12 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.66 2bcc n ALA 167 Cb 0.60 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2bcc n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bcc n SER 168 N -1.30 1.46 0.00 0.00 2.88 -1.26 -4.93 113.62 110.48 2bcc n SER 168 Ca 0.01 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 2bcc n SER 168 Cb 0.02 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 2bcc n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bcc n GLY 169 N 1.45 0.67 3.80 0.46 0.00 0.17 -4.93 105.19 106.81 2bcc n GLY 169 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2bcc n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bcc s ARG 170 N -0.21 4.45 0.01 1.61 0.52 -1.26 -0.71 118.95 123.36 2bcc s ARG 170 Ca 0.00 1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 56.11 2bcc s ARG 170 Cb 0.00 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 2bcc s ARG 170 CO 0.00 0.25 0.93 -1.50 0.02 0.00 0.00 175.30 175.00 2bcc s ILE 171 N -1.71 4.84 0.02 1.52 1.10 -1.26 -1.65 121.20 124.06 2bcc s ILE 171 Ca 0.51 1.96 -0.03 0.00 -0.51 0.00 0.00 60.65 62.58 2bcc s ILE 171 Cb -0.16 -4.27 -0.01 0.00 0.15 0.00 0.00 42.46 38.16 2bcc s ILE 171 CO 0.21 0.20 -0.06 0.54 -2.11 0.00 0.00 174.94 173.73 2bcc n ARG 172 N 3.69 0.09 -4.37 3.50 5.12 -0.04 -4.35 116.66 120.30 2bcc n ARG 172 Ca 0.04 0.04 -0.23 0.00 -1.93 0.00 0.00 57.85 55.77 2bcc n ARG 172 Cb 0.51 -0.65 -0.11 0.00 -1.16 0.00 0.00 32.46 31.05 2bcc n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2bcc s LYS 173 N -2.12 1.39 0.00 5.56 2.20 -1.11 -4.85 119.74 120.80 2bcc s LYS 173 Ca -0.05 -1.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 2bcc s LYS 173 Cb 0.01 -1.49 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 2bcc s LYS 173 CO 0.07 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 2bcc n GLY 174 N 0.10 -1.41 0.11 5.54 0.00 -1.26 0.71 105.19 108.98 2bcc n GLY 174 Ca -0.11 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 43.93 2bcc n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bcc h PRO 175 N 1.20 0.00 -6.24 1.61 0.14 -1.82 -3.48 132.00 123.41 2bcc h PRO 175 Ca 0.00 0.00 -0.62 0.00 0.14 0.00 0.00 66.00 65.52 2bcc h PRO 175 Cb 0.00 0.00 0.13 0.00 0.14 0.00 0.00 31.00 31.27 2bcc h PRO 175 CO 0.00 0.01 -0.43 0.00 0.14 0.00 0.00 178.00 177.72 2bcc n ALA 176 N -2.19 -1.81 -0.01 -0.56 0.00 -1.26 -4.88 120.51 109.81 2bcc n ALA 176 Ca -0.00 0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.51 2bcc n ALA 176 Cb 0.56 -1.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 2bcc n ALA 176 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bcc n PRO 177 N 0.81 0.72 -4.35 0.00 -0.04 -1.26 -4.93 135.00 125.94 2bcc n PRO 177 Ca 0.12 0.26 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 2bcc n PRO 177 Cb 0.35 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 2bcc n PRO 177 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bcc s LEU 178 N -6.74 2.07 0.58 1.53 1.43 -1.26 -4.69 118.68 111.60 2bcc s LEU 178 Ca -0.18 -1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 2bcc s LEU 178 Cb 0.07 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2bcc s LEU 178 CO 0.78 -0.58 1.04 0.20 0.23 0.00 0.00 176.35 178.02 2bcc s ASN 179 N -3.35 5.99 0.37 2.29 0.01 -1.26 -4.55 114.94 114.44 2bcc s ASN 179 Ca 0.32 1.72 -0.25 0.00 -0.71 0.00 0.00 52.86 53.95 2bcc s ASN 179 Cb 0.07 -2.52 -0.13 0.00 0.41 0.00 0.00 41.25 39.08 2bcc s ASN 179 CO 0.11 -1.03 0.79 0.18 -1.51 0.00 0.00 177.10 175.65 2bcc n LEU 180 N -2.02 1.10 -4.73 0.60 4.77 0.11 -4.87 117.00 111.96 2bcc n LEU 180 Ca 0.08 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 2bcc n LEU 180 Cb 0.53 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 2bcc n LEU 180 CO 0.48 -2.12 1.03 -0.70 -1.33 0.00 0.00 177.39 174.75 2bcc s GLU 181 N -1.66 4.34 -0.32 3.23 2.12 -1.26 -4.88 118.70 120.28 2bcc s GLU 181 Ca 0.62 2.08 -0.11 0.00 0.36 0.00 0.00 54.97 57.92 2bcc s GLU 181 Cb -0.64 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 2bcc s GLU 181 CO 0.58 -0.36 0.18 0.08 -0.54 0.00 0.00 175.26 175.20 2bcc s VAL 182 N 0.65 4.83 1.02 3.70 1.01 -1.26 -0.90 120.40 129.45 2bcc s VAL 182 Ca 0.61 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 2bcc s VAL 182 Cb -0.37 -3.48 0.20 0.00 0.00 0.00 0.00 36.38 32.73 2bcc s VAL 182 CO 0.34 0.03 1.10 -2.16 0.00 0.00 0.00 175.10 174.41 2bcc s PRO 183 N 1.65 0.25 -0.03 2.72 0.04 -1.26 -5.01 135.00 133.35 2bcc s PRO 183 Ca 0.05 0.38 -0.25 0.00 0.04 0.00 0.00 61.00 61.22 2bcc s PRO 183 Cb -0.17 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2bcc s PRO 183 CO 0.08 -2.82 0.75 0.45 0.04 0.00 0.00 177.00 175.49 2bcc s SER 184 N -3.60 7.09 0.16 6.66 0.15 -1.26 -4.92 113.70 117.98 2bcc s SER 184 Ca 0.66 1.31 -0.24 0.00 0.70 0.00 0.00 55.95 58.38 2bcc s SER 184 Cb -0.17 -2.44 0.06 0.00 -1.71 0.00 0.00 66.02 61.76 2bcc s SER 184 CO 0.57 -0.11 0.80 -0.72 1.20 0.00 0.00 173.24 174.98 2bcc s TYR 185 N 0.64 -0.28 -0.11 3.44 -0.85 -1.26 0.42 117.35 119.35 2bcc s TYR 185 Ca 0.40 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.63 2bcc s TYR 185 Cb -0.19 0.62 0.08 0.00 0.38 0.00 0.00 41.96 42.86 2bcc s TYR 185 CO 0.20 -0.90 0.77 -1.83 -1.52 0.00 0.00 175.55 172.27 2bcc s GLU 186 N -3.54 0.91 -0.30 -3.49 -1.05 -0.25 -4.95 118.70 106.03 2bcc s GLU 186 Ca 0.08 0.34 -0.23 0.00 -0.15 0.00 0.00 54.97 55.01 2bcc s GLU 186 Cb -0.03 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2bcc s GLU 186 CO -0.02 -0.26 0.79 -0.06 0.95 0.00 0.00 175.26 176.66 2bcc s PHE 187 N -0.92 3.21 -2.18 4.83 0.08 -1.26 -1.76 117.98 119.98 2bcc s PHE 187 Ca -0.07 0.83 0.28 0.00 0.12 0.00 0.00 56.93 58.09 2bcc s PHE 187 Cb -0.01 -3.20 1.11 0.00 -0.57 0.00 0.00 43.02 40.36 2bcc s PHE 187 CO 0.06 -0.55 1.78 0.25 -0.10 0.00 0.00 175.22 176.66 2bcc n THR 188 N 5.51 0.00 -3.65 0.64 -2.24 -1.16 -4.98 114.28 108.40 2bcc n THR 188 Ca 0.04 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2bcc n THR 188 Cb 0.48 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 2bcc n THR 188 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2bcc n SER 189 N -0.28 0.00 -0.12 3.42 3.41 -1.24 -4.94 113.62 113.87 2bcc n SER 189 Ca 0.18 -0.80 -0.08 0.00 -0.26 0.00 0.00 58.87 57.90 2bcc n SER 189 Cb 0.31 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2bcc n SER 189 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2bcc h ASP 190 N 0.00 0.47 -0.10 4.04 2.03 -2.04 -3.27 116.42 117.54 2bcc h ASP 190 Ca 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2bcc h ASP 190 Cb 0.00 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.38 2bcc h ASP 190 CO 0.00 0.39 0.00 -0.90 -1.03 0.00 0.00 179.24 177.70 2bcc n ASP 191 N -4.77 2.03 -4.83 4.15 5.75 -1.26 -4.96 116.55 112.66 2bcc n ASP 191 Ca 0.00 -1.68 -0.36 0.00 -0.01 0.00 0.00 54.79 52.74 2bcc n ASP 191 Cb 0.06 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2bcc n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2bcc s MET 192 N -0.77 3.30 -0.09 0.11 -1.94 -1.24 0.15 119.30 118.83 2bcc s MET 192 Ca 0.09 -0.24 -0.07 0.00 -1.71 0.00 0.00 55.69 53.76 2bcc s MET 192 Cb 0.05 -3.06 0.03 0.00 2.01 0.00 0.00 34.83 33.86 2bcc s MET 192 CO 0.07 0.74 0.23 0.54 -0.01 0.00 0.00 175.02 176.59 2bcc s VAL 193 N -1.04 -0.01 -0.09 -6.03 0.11 -0.86 -3.01 120.40 109.47 2bcc s VAL 193 Ca 0.16 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2bcc s VAL 193 Cb -0.12 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2bcc s VAL 193 CO 0.06 0.01 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.11 2bcc s ILE 194 N 0.36 1.11 -0.17 7.04 1.01 -0.72 -0.55 121.20 129.28 2bcc s ILE 194 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 2bcc s ILE 194 Cb -0.03 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2bcc s ILE 194 CO -0.02 0.36 0.09 -0.69 0.00 0.00 0.00 174.94 174.69 2bcc s VAL 195 N 1.10 5.10 0.00 2.92 1.01 -0.95 -1.08 120.40 128.49 2bcc s VAL 195 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2bcc s VAL 195 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2bcc s VAL 195 CO -0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.20