#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgn h LEU 12 N 0.00 0.65 -0.03 -2.12 5.85 -2.05 -1.20 115.31 116.41 1rgn h LEU 12 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1rgn h LEU 12 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1rgn h LEU 12 CO 0.00 0.34 -0.05 0.00 -0.34 0.00 0.00 178.44 178.39 1rgn h ALA 13 N 1.50 0.05 0.00 1.25 0.00 -2.06 -0.95 119.26 119.05 1rgn h ALA 13 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rgn h ALA 13 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rgn h ALA 13 CO -0.29 -0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.48 1rgn h SER 14 N -0.43 0.00 -0.13 0.00 4.64 -1.96 -0.17 113.55 115.50 1rgn h SER 14 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.12 1rgn h SER 14 Cb 0.60 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1rgn h SER 14 CO 0.01 0.00 -0.72 0.25 -0.87 0.00 0.00 176.83 175.50 1rgn h LEU 15 N 0.00 0.86 -0.26 5.97 5.85 -1.05 -3.05 115.31 123.63 1rgn h LEU 15 Ca 0.00 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1rgn h LEU 15 Cb 0.38 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1rgn h LEU 15 CO 0.00 1.36 0.16 0.00 -0.34 0.00 0.00 178.44 179.62 1rgn h ALA 16 N 0.52 0.33 -0.28 1.25 0.00 0.12 -0.68 119.26 120.51 1rgn h ALA 16 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1rgn h ALA 16 Cb 1.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1rgn h ALA 16 CO 0.15 -0.22 -0.13 0.97 0.00 0.00 0.00 179.25 180.02 1rgn h ILE 17 N 0.33 1.23 -0.13 0.00 6.09 -1.18 -1.77 117.51 122.08 1rgn h ILE 17 Ca 0.10 -1.02 -0.03 0.00 -1.37 0.00 0.00 64.86 62.54 1rgn h ILE 17 Cb -0.02 1.16 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 1rgn h ILE 17 CO -0.04 0.33 -0.04 0.22 -3.07 0.00 0.00 178.15 175.55 1rgn h TYR 18 N 0.45 0.29 -0.78 2.19 3.20 -1.40 -2.37 116.97 118.54 1rgn h TYR 18 Ca 0.08 -0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.03 1rgn h TYR 18 Cb 0.50 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.60 1rgn h TYR 18 CO 0.02 0.56 0.35 0.77 -1.64 0.00 0.00 178.16 178.21 1rgn h SER 19 N -0.06 0.36 0.01 -2.11 0.02 -1.00 -2.87 113.55 107.90 1rgn h SER 19 Ca 0.03 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1rgn h SER 19 Cb 0.47 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1rgn h SER 19 CO 0.01 0.14 -0.00 0.15 -1.14 0.00 0.00 176.83 175.99 1rgn h PHE 20 N 0.50 -0.01 -0.26 3.45 3.57 -1.15 -0.69 116.94 122.35 1rgn h PHE 20 Ca 0.43 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.00 1rgn h PHE 20 Cb 0.64 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1rgn h PHE 20 CO -0.14 0.19 0.19 -1.49 -2.23 0.00 0.00 178.31 174.82 1rgn h TRP 21 N -0.20 0.05 0.02 0.41 4.06 -1.27 0.30 115.95 119.32 1rgn h TRP 21 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1rgn h TRP 21 Cb 0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 1rgn h TRP 21 CO -0.01 0.03 -0.01 0.82 -3.56 0.00 0.00 178.44 175.71 1rgn h ILE 22 N 0.05 1.40 -0.51 1.49 2.04 -1.27 -2.43 117.51 118.28 1rgn h ILE 22 Ca 0.12 -1.36 0.10 0.00 1.00 0.00 0.00 64.86 64.72 1rgn h ILE 22 Cb 0.42 2.30 -0.10 0.00 -0.74 0.00 0.00 36.82 38.70 1rgn h ILE 22 CO -0.01 0.34 -0.29 0.15 0.00 0.00 0.00 178.15 178.34 1rgn h PHE 23 N -0.62 -0.79 -0.49 1.37 3.57 -0.30 -2.42 116.94 117.27 1rgn h PHE 23 Ca -0.00 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1rgn h PHE 23 Cb 0.59 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1rgn h PHE 23 CO 0.13 -0.36 0.17 1.25 -2.23 0.00 0.00 178.31 177.27 1rgn h LEU 24 N -0.17 0.64 -0.85 0.59 5.85 -0.44 -1.47 115.31 119.47 1rgn h LEU 24 Ca 0.22 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1rgn h LEU 24 Cb 0.52 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1rgn h LEU 24 CO -0.61 0.60 0.54 0.00 -0.34 0.00 0.00 178.44 178.64 1rgn h ALA 25 N 1.49 1.12 -0.34 1.25 0.00 -0.97 0.23 119.26 122.05 1rgn h ALA 25 Ca 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1rgn h ALA 25 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rgn h ALA 25 CO -0.01 0.36 -0.27 0.78 0.00 0.00 0.00 179.25 180.10 1rgn h GLY 26 N 1.04 0.77 0.87 0.00 0.00 -0.92 -1.66 103.07 103.16 1rgn h GLY 26 Ca 0.34 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1rgn h GLY 26 CO -0.13 0.62 -0.02 -2.00 0.00 0.00 0.00 176.54 175.01 1rgn h LEU 27 N 0.61 0.50 -0.38 3.11 5.85 -0.95 0.03 115.31 124.08 1rgn h LEU 27 Ca 0.08 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1rgn h LEU 27 Cb 0.77 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1rgn h LEU 27 CO 0.06 0.70 0.21 0.40 -0.34 0.00 0.00 178.44 179.48 1rgn h ILE 28 N 0.28 1.14 -0.27 4.05 2.04 -0.93 0.85 117.51 124.67 1rgn h ILE 28 Ca 0.08 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1rgn h ILE 28 Cb 0.46 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1rgn h ILE 28 CO 0.02 0.14 -0.18 0.22 0.00 0.00 0.00 178.15 178.35 1rgn h TYR 29 N 0.49 -0.47 -0.04 1.37 3.20 -1.04 -0.51 116.97 119.96 1rgn h TYR 29 Ca 0.13 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1rgn h TYR 29 Cb 0.04 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1rgn h TYR 29 CO -0.03 -0.26 -0.12 -0.92 -1.64 0.00 0.00 178.16 175.19 1rgn h TYR 30 N -0.17 -0.30 -0.80 -3.82 3.20 -0.64 -1.75 116.97 112.69 1rgn h TYR 30 Ca 0.15 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.11 1rgn h TYR 30 Cb 0.39 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1rgn h TYR 30 CO -0.36 -0.18 0.53 -0.07 -1.64 0.00 0.00 178.16 176.43 1rgn h LEU 31 N -0.18 0.71 0.09 2.82 3.38 -0.38 -0.45 115.31 121.29 1rgn h LEU 31 Ca 0.06 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1rgn h LEU 31 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rgn h LEU 31 CO -0.15 0.43 -1.21 -0.61 0.09 0.00 0.00 178.44 177.00 1rgn h GLN 32 N 0.79 0.19 -0.24 1.13 5.75 -0.72 -2.40 115.11 119.60 1rgn h GLN 32 Ca 0.36 -0.32 -0.18 0.00 -0.15 0.00 0.00 58.65 58.36 1rgn h GLN 32 Cb 0.37 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1rgn h GLN 32 CO -0.14 1.14 -0.54 1.79 -2.65 0.00 0.00 178.83 178.43 1rgn h THR 33 N 0.05 1.29 -0.86 2.39 1.35 -1.05 -2.74 112.91 113.34 1rgn h THR 33 Ca -0.11 -1.74 0.16 0.00 -0.55 0.00 0.00 66.41 64.17 1rgn h THR 33 Cb 1.92 1.76 -0.10 0.00 -1.73 0.00 0.00 68.15 70.00 1rgn h THR 33 CO 0.18 0.56 0.43 -0.33 -0.25 0.00 0.00 175.52 176.11 1rgn h GLU 34 N 0.54 0.58 -0.21 4.72 4.39 -1.12 -0.76 114.58 122.72 1rgn h GLU 34 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1rgn h GLU 34 Cb 1.15 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1rgn h GLU 34 CO 0.12 0.38 0.00 0.09 -1.16 0.00 0.00 179.01 178.44 1rgn n ASN 35 N -4.89 0.32 -1.24 1.42 3.02 -0.90 -3.46 115.26 109.53 1rgn n ASN 35 Ca 0.18 -2.01 0.04 0.00 -0.03 0.00 0.00 54.58 52.76 1rgn n ASN 35 Cb 0.47 -0.11 0.27 0.00 -0.61 0.00 0.00 39.78 39.80 1rgn n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rgn n MET 36 N -0.35 3.10 -0.08 3.52 2.81 -0.29 -4.61 117.12 121.22 1rgn n MET 36 Ca 0.01 -2.98 0.12 0.00 -1.81 0.00 0.00 57.70 53.04 1rgn n MET 36 Cb 0.07 -1.95 0.34 0.00 -0.71 0.00 0.00 33.22 30.96 1rgn n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1rgn n ARG 37 N -0.44 1.94 -3.92 0.03 1.74 -1.22 -4.48 116.66 110.31 1rgn n ARG 37 Ca 0.28 -1.41 -0.12 0.00 -0.77 0.00 0.00 57.85 55.83 1rgn n ARG 37 Cb 1.04 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.90 1rgn n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rgn s GLU 38 N -1.78 0.08 0.00 5.56 0.41 -1.26 -4.37 118.70 117.33 1rgn s GLU 38 Ca 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 1rgn s GLU 38 Cb 0.19 -0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.49 1rgn s GLU 38 CO 0.29 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 1rgn n GLY 39 N 3.00 1.12 3.47 -1.39 0.00 -1.26 -5.02 105.19 105.10 1rgn n GLY 39 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1rgn n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rgn s TYR 40 N -3.04 2.42 0.69 1.61 1.51 -1.26 -4.10 117.35 115.17 1rgn s TYR 40 Ca 0.00 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 1rgn s TYR 40 Cb 0.00 -1.21 0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1rgn s TYR 40 CO 0.00 0.48 1.22 -2.14 -1.11 0.00 0.00 175.55 174.00 1rgn s PRO 41 N -2.62 2.39 0.72 -1.71 0.02 -1.26 -4.87 135.00 127.67 1rgn s PRO 41 Ca 0.21 1.80 -0.16 0.00 0.02 0.00 0.00 61.00 62.87 1rgn s PRO 41 Cb -0.09 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.59 1rgn s PRO 41 CO 0.11 -1.65 1.11 1.28 -0.33 0.00 0.00 177.00 177.52 1rgn n LEU 42 N -2.37 4.43 -4.21 -5.54 4.77 -1.26 -4.93 117.00 107.90 1rgn n LEU 42 Ca 0.14 0.70 -0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1rgn n LEU 42 Cb 0.50 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 1rgn n LEU 42 CO 0.47 -1.67 -0.42 -1.61 -1.33 0.00 0.00 177.39 172.84 1rgn s GLU 43 N -3.50 0.94 0.73 3.23 2.02 -1.26 -1.82 118.70 119.03 1rgn s GLU 43 Ca 0.76 -1.28 -0.08 0.00 0.02 0.00 0.00 54.97 54.40 1rgn s GLU 43 Cb -0.34 -0.58 0.06 0.00 0.10 0.00 0.00 34.13 33.37 1rgn s GLU 43 CO 0.47 0.08 1.05 -0.80 0.02 0.00 0.00 175.26 176.09 1rgn s ASN 44 N -2.73 4.77 0.34 -0.19 0.01 -0.38 -4.68 114.94 112.09 1rgn s ASN 44 Ca 0.10 0.54 0.24 0.00 -0.71 0.00 0.00 52.86 53.03 1rgn s ASN 44 Cb -0.01 -1.16 1.24 0.00 0.41 0.00 0.00 41.25 41.73 1rgn s ASN 44 CO 0.00 -1.65 1.74 -0.33 -1.51 0.00 0.00 177.10 175.35 1rgn h GLU 45 N -0.69 0.00 -0.53 -0.60 5.08 -2.02 -1.07 114.58 114.75 1rgn h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1rgn h GLU 45 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1rgn h GLU 45 CO 0.62 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 1rgn n ASP 46 N -2.35 5.45 0.00 1.42 5.75 -1.26 -4.94 116.55 120.62 1rgn n ASP 46 Ca -0.01 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 1rgn n ASP 46 Cb 0.09 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 1rgn n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rgn n GLY 47 N 0.47 0.69 3.93 6.12 0.00 -0.40 -5.04 105.19 110.95 1rgn n GLY 47 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 1rgn n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rgn s THR 48 N -2.68 5.03 0.12 2.61 -4.23 -1.26 -4.85 115.64 110.39 1rgn s THR 48 Ca 0.00 -0.18 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 1rgn s THR 48 Cb 0.00 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 1rgn s THR 48 CO 0.00 -0.62 1.82 -2.84 -0.54 0.00 0.00 174.62 172.43 1rgn s PRO 49 N -4.36 4.14 0.71 3.99 0.02 -1.26 -1.25 135.00 136.98 1rgn s PRO 49 Ca 0.43 2.58 -0.13 0.00 0.02 0.00 0.00 61.00 63.90 1rgn s PRO 49 Cb -0.10 -3.58 0.02 0.00 0.02 0.00 0.00 34.50 30.86 1rgn s PRO 49 CO 0.38 -0.84 1.11 0.00 -0.33 0.00 0.00 177.00 177.33 1rgn s ALA 50 N 2.70 2.35 0.00 -1.55 0.00 -0.76 -4.72 121.76 119.78 1rgn s ALA 50 Ca 0.80 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1rgn s ALA 50 Cb -0.46 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1rgn s ALA 50 CO 0.36 -1.52 0.18 0.00 0.00 0.00 0.00 175.76 174.78 1rgn n ALA 51 N -2.83 -0.03 -2.08 0.00 0.00 -1.26 -4.66 120.51 109.64 1rgn n ALA 51 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1rgn n ALA 51 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1rgn n ALA 51 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1rgn s ASN 52 N -1.62 6.73 0.00 0.00 3.04 -1.26 -4.86 114.94 116.98 1rgn s ASN 52 Ca 0.00 2.34 0.12 0.00 0.04 0.00 0.00 52.86 55.36 1rgn s ASN 52 Cb 0.00 -2.57 0.09 0.00 -1.54 0.00 0.00 41.25 37.23 1rgn s ASN 52 CO 0.00 -0.77 0.88 0.00 -3.04 0.00 0.00 177.10 174.17 1rgn n GLN 53 N 4.98 0.76 0.00 0.43 1.13 -1.26 -4.97 117.38 118.46 1rgn n GLN 53 Ca 0.14 -1.20 0.00 0.00 -1.94 0.00 0.00 57.00 53.99 1rgn n GLN 53 Cb 0.42 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.54 1rgn n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rgn n GLY 54 N 0.70 -0.47 0.04 1.08 0.00 -1.26 -4.67 105.19 100.61 1rgn n GLY 54 Ca 0.07 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.48 1rgn n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rgn n PRO 55 N -0.49 0.52 -3.84 1.61 -0.04 -1.26 -4.80 135.00 126.70 1rgn n PRO 55 Ca 0.00 -0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.02 1rgn n PRO 55 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1rgn n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1rgn s PHE 56 N -2.53 3.48 0.73 0.54 0.08 -1.26 -5.10 117.98 113.92 1rgn s PHE 56 Ca 0.29 0.41 -0.07 0.00 0.12 0.00 0.00 56.93 57.67 1rgn s PHE 56 Cb 0.20 -2.04 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 1rgn s PHE 56 CO 0.47 0.50 1.04 -1.25 -0.10 0.00 0.00 175.22 175.88 1rgn s PRO 57 N -0.34 2.05 0.25 0.24 0.04 -1.26 -5.03 135.00 130.95 1rgn s PRO 57 Ca 0.11 -0.32 -0.28 0.00 0.04 0.00 0.00 61.00 60.56 1rgn s PRO 57 Cb -0.12 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1rgn s PRO 57 CO 0.01 -1.34 0.91 -0.51 0.04 0.00 0.00 177.00 176.11 1rgn s LEU 58 N -5.29 4.54 0.97 -3.56 1.43 -1.26 -4.78 118.68 110.73 1rgn s LEU 58 Ca 0.62 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1rgn s LEU 58 Cb -0.10 -3.68 0.17 0.00 0.03 0.00 0.00 46.19 42.61 1rgn s LEU 58 CO 0.45 0.10 1.11 -2.16 0.23 0.00 0.00 176.35 176.08 1rgn s PRO 59 N -1.45 0.67 0.42 1.29 0.04 -1.26 -4.99 135.00 129.71 1rgn s PRO 59 Ca 0.43 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 1rgn s PRO 59 Cb -0.23 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1rgn s PRO 59 CO 0.28 -2.54 1.10 0.15 0.04 0.00 0.00 177.00 176.03 1rgn s LYS 60 N -5.09 4.03 0.72 4.56 1.02 -1.26 -4.72 119.74 119.00 1rgn s LYS 60 Ca 0.65 1.63 -0.16 0.00 0.02 0.00 0.00 55.97 58.11 1rgn s LYS 60 Cb -0.17 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1rgn s LYS 60 CO 0.56 -0.29 0.89 -2.30 -0.92 0.00 0.00 175.35 173.29 1rgn n PRO 61 N -0.18 0.46 -4.41 -1.68 -0.02 -1.26 -4.73 135.00 123.18 1rgn n PRO 61 Ca 0.06 0.21 -0.21 0.00 -2.02 0.00 0.00 63.50 61.54 1rgn n PRO 61 Cb 0.49 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 1rgn n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1rgn s LYS 62 N -3.25 1.50 -0.14 -0.52 -2.85 -0.69 -4.93 119.74 108.86 1rgn s LYS 62 Ca 0.72 -1.73 -0.01 0.00 -1.00 0.00 0.00 55.97 53.95 1rgn s LYS 62 Cb -0.34 -1.20 0.04 0.00 -2.06 0.00 0.00 37.83 34.26 1rgn s LYS 62 CO 0.52 0.11 -0.03 0.99 0.10 0.00 0.00 175.35 177.03 1rgn s THR 63 N -2.95 0.82 0.04 3.79 2.01 -1.26 -1.78 115.64 116.31 1rgn s THR 63 Ca 0.27 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.63 1rgn s THR 63 Cb 0.02 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1rgn s THR 63 CO 0.11 0.14 0.81 -0.36 -0.69 0.00 0.00 174.62 174.62 1rgn s PHE 64 N 1.77 3.73 -0.25 4.92 0.08 0.13 -4.88 117.98 123.47 1rgn s PHE 64 Ca 0.02 1.52 -0.18 0.00 0.12 0.00 0.00 56.93 58.42 1rgn s PHE 64 Cb -0.14 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1rgn s PHE 64 CO -0.07 0.23 0.50 0.42 -0.10 0.00 0.00 175.22 176.20 1rgn s ILE 65 N 0.09 5.08 0.11 0.64 1.01 -1.26 -0.86 121.20 126.01 1rgn s ILE 65 Ca 0.41 0.86 -0.18 0.00 0.00 0.00 0.00 60.65 61.74 1rgn s ILE 65 Cb -0.21 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 1rgn s ILE 65 CO 0.24 0.10 0.59 -0.76 0.00 0.00 0.00 174.94 175.11 1rgn s LEU 66 N 2.21 4.47 0.00 2.97 1.43 0.39 -5.00 118.68 125.15 1rgn s LEU 66 Ca 0.21 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1rgn s LEU 66 Cb -0.16 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1rgn s LEU 66 CO 0.09 0.21 0.84 -2.65 0.23 0.00 0.00 176.35 175.06 1rgn n PRO 67 N 1.39 0.00 -2.15 1.29 -0.02 -1.26 -4.07 135.00 130.18 1rgn n PRO 67 Ca -0.08 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1rgn n PRO 67 Cb 0.51 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1rgn n PRO 67 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rgn n HIS 68 N -1.88 2.58 -1.25 6.00 8.25 -1.26 -4.14 115.22 123.52 1rgn n HIS 68 Ca 0.00 -2.65 -0.09 0.00 -0.26 0.00 0.00 57.72 54.73 1rgn n HIS 68 Cb 0.00 -1.57 -0.04 0.00 1.12 0.00 0.00 29.99 29.50 1rgn n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rgn n GLY 69 N 1.01 0.99 0.65 -1.41 0.00 -1.26 -4.88 105.19 100.29 1rgn n GLY 69 Ca 0.56 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1rgn n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rgn n ARG 70 N -2.14 1.84 0.00 1.61 3.00 -1.26 -4.98 116.66 114.73 1rgn n ARG 70 Ca -0.09 -1.28 0.00 0.00 -0.00 0.00 0.00 57.85 56.49 1rgn n ARG 70 Cb 0.36 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1rgn n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rgn n GLY 71 N 1.16 0.04 3.09 5.14 0.00 -1.26 -4.87 105.19 108.50 1rgn n GLY 71 Ca 0.16 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1rgn n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rgn s THR 72 N 0.00 0.57 -0.16 2.61 2.01 -1.26 -0.46 115.64 118.95 1rgn s THR 72 Ca 0.00 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.70 1rgn s THR 72 Cb 0.00 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1rgn s THR 72 CO 0.00 -0.52 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.07 1rgn s LEU 73 N -1.97 1.77 -0.28 4.42 2.96 -0.04 -4.94 118.68 120.60 1rgn s LEU 73 Ca -0.04 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1rgn s LEU 73 Cb -0.06 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 1rgn s LEU 73 CO -0.01 -0.09 0.12 -0.89 -1.32 0.00 0.00 176.35 174.16 1rgn s THR 74 N 1.50 4.59 -0.06 3.68 2.01 -1.26 0.21 115.64 126.31 1rgn s THR 74 Ca 0.03 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1rgn s THR 74 Cb -0.14 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1rgn s THR 74 CO -0.10 0.22 -0.09 0.68 -0.69 0.00 0.00 174.62 174.64 1rgn s VAL 75 N 1.64 0.88 0.67 3.82 -7.23 -0.73 -3.89 120.40 115.56 1rgn s VAL 75 Ca 0.06 -0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 59.79 1rgn s VAL 75 Cb -0.16 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 1rgn s VAL 75 CO 0.06 0.30 1.05 -2.84 -0.31 0.00 0.00 175.10 173.36 1rgn s PRO 76 N 0.81 3.17 0.32 4.82 0.02 -1.26 -1.71 135.00 141.17 1rgn s PRO 76 Ca -0.12 0.80 -0.12 0.00 0.02 0.00 0.00 61.00 61.57 1rgn s PRO 76 Cb -0.15 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.39 1rgn s PRO 76 CO 0.02 -0.89 0.65 0.41 -0.33 0.00 0.00 177.00 176.86 1rgn n GLY 77 N -2.43 1.16 3.42 0.52 0.00 -1.25 -4.79 105.19 101.81 1rgn n GLY 77 Ca 0.07 -1.21 -0.47 0.00 0.00 0.00 0.00 46.02 44.41 1rgn n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rgn n PRO 78 N -0.44 0.02 -2.72 1.61 -0.02 -1.26 -4.93 135.00 127.27 1rgn n PRO 78 Ca -0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1rgn n PRO 78 Cb 0.48 -1.53 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1rgn n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1rgn s GLU 79 N 7.99 4.83 -0.30 -0.52 0.41 -1.26 -5.04 118.70 124.80 1rgn s GLU 79 Ca 1.30 1.52 -0.20 0.00 -0.41 0.00 0.00 54.97 57.18 1rgn s GLU 79 Cb -1.32 -3.26 0.20 0.00 -1.78 0.00 0.00 34.13 27.97 1rgn s GLU 79 CO 0.54 0.48 1.30 0.45 -0.49 0.00 0.00 175.26 177.54 1rgn s SER 80 N -1.16 -0.05 0.56 -0.19 0.15 -1.26 -5.03 113.70 106.73 1rgn s SER 80 Ca 0.42 0.07 0.29 0.00 0.70 0.00 0.00 55.95 57.42 1rgn s SER 80 Cb -0.26 1.05 1.47 0.00 -1.71 0.00 0.00 66.02 66.57 1rgn s SER 80 CO 0.33 -0.01 1.92 -0.33 1.20 0.00 0.00 173.24 176.35 1rgn h GLU 81 N 7.01 0.00 -6.79 5.44 4.39 -2.01 -3.46 114.58 119.16 1rgn h GLU 81 Ca -0.13 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.01 1rgn h GLU 81 Cb 1.13 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.56 1rgn h GLU 81 CO 0.06 0.00 -0.84 -0.25 -1.16 0.00 0.00 179.01 176.82 1rgn n ASP 82 N -3.99 -3.13 -3.57 1.42 8.00 -1.26 -4.57 116.55 109.44 1rgn n ASP 82 Ca 0.11 -1.03 -0.10 0.00 0.71 0.00 0.00 54.79 54.48 1rgn n ASP 82 Cb 0.73 -2.66 -0.05 0.00 -0.02 0.00 0.00 41.12 39.12 1rgn n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rgn s ARG 83 N -6.96 0.61 0.37 -1.24 1.70 -1.26 -4.91 118.95 107.26 1rgn s ARG 83 Ca 0.74 0.11 -0.27 0.00 -0.47 0.00 0.00 55.73 55.84 1rgn s ARG 83 Cb -0.41 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.17 1rgn s ARG 83 CO 0.94 -0.20 1.21 -2.14 -1.08 0.00 0.00 175.30 174.03 1rgn s PRO 84 N -1.28 4.19 -0.34 3.89 0.02 -1.26 -5.01 135.00 135.21 1rgn s PRO 84 Ca -0.01 1.98 0.02 0.00 0.02 0.00 0.00 61.00 63.01 1rgn s PRO 84 Cb -0.00 -2.85 0.10 0.00 0.02 0.00 0.00 34.50 31.77 1rgn s PRO 84 CO 0.01 -0.25 0.08 0.42 -0.33 0.00 0.00 177.00 176.93 1rgn s ILE 85 N -1.29 1.69 -1.09 2.83 1.01 -1.26 -5.04 121.20 118.05 1rgn s ILE 85 Ca 0.53 -2.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.03 1rgn s ILE 85 Cb -0.34 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.80 1rgn s ILE 85 CO 0.44 -0.65 2.17 0.00 0.00 0.00 0.00 174.94 176.90 1rgn n ALA 86 N 4.44 4.72 -2.76 9.38 0.00 -1.26 -4.90 120.51 130.12 1rgn n ALA 86 Ca 0.02 -3.24 -0.16 0.00 0.00 0.00 0.00 53.44 50.05 1rgn n ALA 86 Cb 0.41 -3.46 -0.12 0.00 0.00 0.00 0.00 19.45 16.29 1rgn n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgn s LEU 87 N 1.14 2.23 -0.02 0.00 1.43 -1.26 -1.68 118.68 120.51 1rgn s LEU 87 Ca 0.52 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1rgn s LEU 87 Cb 0.14 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.97 1rgn s LEU 87 CO 0.01 -0.10 -0.22 0.00 0.23 0.00 0.00 176.35 176.27 1rgn s ALA 88 N -1.15 1.84 0.54 4.21 0.00 -0.28 -4.86 121.76 122.06 1rgn s ALA 88 Ca -0.04 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 1rgn s ALA 88 Cb -0.09 -0.49 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 1rgn s ALA 88 CO 0.01 0.44 0.45 0.54 0.00 0.00 0.00 175.76 177.20 1rgn n ARG 89 N 2.61 0.47 -0.03 0.00 1.74 -1.26 -0.47 116.66 119.71 1rgn n ARG 89 Ca -0.16 0.18 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 1rgn n ARG 89 Cb 0.52 -1.59 0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1rgn n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1rgn n THR 90 N -1.55 0.60 -3.65 0.55 -2.24 -1.23 -4.73 114.28 102.02 1rgn n THR 90 Ca 0.11 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 60.98 1rgn n THR 90 Cb 0.46 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1rgn n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgn s ALA 91 N -0.72 -0.87 -2.45 6.98 0.00 -1.26 -5.06 121.76 118.38 1rgn s ALA 91 Ca 0.06 -0.07 0.28 0.00 0.00 0.00 0.00 51.96 52.23 1rgn s ALA 91 Cb 0.03 0.65 1.11 0.00 0.00 0.00 0.00 23.12 24.92 1rgn s ALA 91 CO 0.05 -0.62 1.78 1.33 0.00 0.00 0.00 175.76 178.30 1rgn n VAL 92 N -0.16 0.01 -4.22 0.00 0.24 -1.26 -4.87 118.33 108.08 1rgn n VAL 92 Ca -0.16 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 1rgn n VAL 92 Cb 0.63 0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 33.31 1rgn n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rgn s SER 93 N -1.98 0.96 0.94 -1.34 1.04 -1.26 -5.15 113.70 106.91 1rgn s SER 93 Ca 0.39 -1.19 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 1rgn s SER 93 Cb 0.21 0.17 0.16 0.00 0.10 0.00 0.00 66.02 66.66 1rgn s SER 93 CO 0.34 -0.62 1.14 -1.61 0.98 0.00 0.00 173.24 173.47 1rgn s GLU 94 N -3.95 0.81 0.00 4.02 2.02 -1.26 -4.38 118.70 115.95 1rgn s GLU 94 Ca 0.24 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.74 1rgn s GLU 94 Cb 0.07 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1rgn s GLU 94 CO 0.03 -2.76 0.00 0.41 0.02 0.00 0.00 175.26 172.96 1rgn n GLY 95 N 0.30 0.77 3.82 -1.39 0.00 -1.26 -5.06 105.19 102.37 1rgn n GLY 95 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1rgn n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rgn s PHE 96 N -2.24 2.73 0.69 1.61 0.40 -1.26 -5.11 117.98 114.80 1rgn s PHE 96 Ca 0.00 -0.44 -0.13 0.00 -0.60 0.00 0.00 56.93 55.76 1rgn s PHE 96 Cb 0.00 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1rgn s PHE 96 CO 0.00 0.09 1.08 -2.14 0.70 0.00 0.00 175.22 174.95 1rgn s PRO 97 N -4.01 2.78 -0.26 0.24 0.02 -1.26 -4.91 135.00 127.60 1rgn s PRO 97 Ca 0.43 1.16 -0.00 0.00 0.02 0.00 0.00 61.00 62.62 1rgn s PRO 97 Cb -0.02 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1rgn s PRO 97 CO 0.26 -1.24 -0.07 -1.01 -0.33 0.00 0.00 177.00 174.61 1rgn s HIS 98 N -2.73 3.16 0.10 6.54 3.76 -1.26 -3.57 115.29 121.29 1rgn s HIS 98 Ca 0.62 -1.90 -0.31 0.00 -0.15 0.00 0.00 55.06 53.33 1rgn s HIS 98 Cb -0.17 -2.02 -0.07 0.00 1.11 0.00 0.00 32.58 31.44 1rgn s HIS 98 CO 0.49 -0.80 1.24 0.00 -0.85 0.00 0.00 174.74 174.81 1rgn s ALA 99 N 1.23 3.44 0.27 -1.40 0.00 0.38 -4.63 121.76 121.05 1rgn s ALA 99 Ca -0.04 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1rgn s ALA 99 Cb -0.18 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 1rgn s ALA 99 CO -0.04 -0.45 1.27 -2.30 0.00 0.00 0.00 175.76 174.24 1rgn n PRO 100 N 3.57 1.84 0.17 0.00 -0.02 -1.26 -1.13 135.00 138.17 1rgn n PRO 100 Ca 0.08 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 1rgn n PRO 100 Cb 0.45 -2.22 0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1rgn n PRO 100 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1rgn h THR 101 N 2.66 0.12 -0.35 3.45 1.35 -1.66 -3.45 112.91 115.04 1rgn h THR 101 Ca -0.44 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1rgn h THR 101 Cb 1.30 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1rgn h THR 101 CO 0.68 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1rgn n GLY 102 N 1.15 5.31 3.62 5.82 0.00 -1.26 -5.08 105.19 114.75 1rgn n GLY 102 Ca 0.02 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1rgn n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rgn s ASP 103 N 1.00 6.31 0.51 1.61 -1.08 -1.26 -4.90 116.67 118.86 1rgn s ASP 103 Ca 0.00 1.27 0.28 0.00 -0.52 0.00 0.00 52.55 53.58 1rgn s ASP 103 Cb 0.00 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 40.25 1rgn s ASP 103 CO 0.00 -1.37 2.00 1.55 0.52 0.00 0.00 175.17 177.86 1rgn h PRO 104 N 10.95 0.00 0.36 4.34 0.13 -1.94 0.22 132.00 146.06 1rgn h PRO 104 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1rgn h PRO 104 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1rgn h PRO 104 CO 1.04 0.13 -0.17 0.52 -0.23 0.00 0.00 178.00 179.29 1rgn h MET 105 N 0.00 -0.46 -0.68 0.86 2.86 -1.90 -1.04 114.93 114.56 1rgn h MET 105 Ca -0.00 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1rgn h MET 105 Cb 0.47 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1rgn h MET 105 CO 0.02 -0.18 0.20 0.87 1.06 0.00 0.00 176.91 178.87 1rgn h LYS 106 N -0.71 1.05 0.00 1.72 1.57 -1.78 -2.97 116.57 115.45 1rgn h LYS 106 Ca -0.05 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1rgn h LYS 106 Cb 0.49 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1rgn h LYS 106 CO 0.08 0.91 0.00 -0.44 -0.57 0.00 0.00 179.45 179.43 1rgn h ASP 107 N 1.01 0.00 -3.77 0.86 5.19 -0.61 -3.47 116.42 115.63 1rgn h ASP 107 Ca 0.22 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.47 1rgn h ASP 107 Cb 0.31 0.00 0.08 0.00 0.18 0.00 0.00 39.33 39.90 1rgn h ASP 107 CO -0.01 0.00 -0.38 0.61 -3.12 0.00 0.00 179.24 176.35 1rgn n GLY 108 N 0.64 0.05 3.55 2.75 0.00 -0.44 -4.77 105.19 106.97 1rgn n GLY 108 Ca 0.03 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1rgn n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgn s VAL 109 N -3.18 2.04 0.00 1.61 -7.23 -0.91 -3.99 120.40 108.74 1rgn s VAL 109 Ca 0.01 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 1rgn s VAL 109 Cb -0.00 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1rgn s VAL 109 CO 0.36 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 1rgn n GLY 110 N -0.81 0.95 0.01 2.32 0.00 -1.26 -1.28 105.19 105.11 1rgn n GLY 110 Ca -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.25 1rgn n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rgn n PRO 111 N 5.08 0.01 -0.25 1.61 -0.04 -1.26 -1.32 135.00 138.83 1rgn n PRO 111 Ca 0.00 0.44 0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1rgn n PRO 111 Cb 0.00 -1.53 0.14 0.00 -0.04 0.00 0.00 33.50 32.07 1rgn n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rgn n ALA 112 N -1.52 2.77 -1.73 0.55 0.00 -0.41 -2.69 120.51 117.49 1rgn n ALA 112 Ca 0.01 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.49 1rgn n ALA 112 Cb 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1rgn n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rgn s SER 113 N -0.60 5.50 0.07 0.00 0.01 -0.44 -3.88 113.70 114.37 1rgn s SER 113 Ca 0.19 2.20 0.01 0.00 1.31 0.00 0.00 55.95 59.66 1rgn s SER 113 Cb 0.13 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1rgn s SER 113 CO 0.09 -1.37 -0.06 -1.66 0.41 0.00 0.00 173.24 170.65 1rgn s TRP 114 N -1.82 0.71 0.11 2.43 1.48 -1.26 -4.32 118.94 116.28 1rgn s TRP 114 Ca 0.73 -0.84 0.05 0.00 -1.06 0.00 0.00 56.10 54.98 1rgn s TRP 114 Cb -0.25 -0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 31.59 1rgn s TRP 114 CO 0.30 -0.20 0.01 0.14 -4.06 0.00 0.00 176.95 173.15 1rgn s VAL 115 N -3.08 4.01 -1.00 -0.66 -7.23 -1.26 -5.00 120.40 106.17 1rgn s VAL 115 Ca 0.04 -1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.01 1rgn s VAL 115 Cb 0.02 -2.94 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 1rgn s VAL 115 CO -0.05 0.06 2.15 0.00 -0.31 0.00 0.00 175.10 176.95 1rgn n ALA 116 N 0.36 4.66 -0.92 1.32 0.00 -1.26 -4.82 120.51 119.85 1rgn n ALA 116 Ca -0.10 -2.77 -0.29 0.00 0.00 0.00 0.00 53.44 50.28 1rgn n ALA 116 Cb 0.53 -3.30 0.22 0.00 0.00 0.00 0.00 19.45 16.89 1rgn n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rgn s ARG 117 N 3.76 -0.39 0.09 0.00 1.81 -1.26 -4.95 118.95 118.01 1rgn s ARG 117 Ca 0.49 0.53 -0.31 0.00 -1.72 0.00 0.00 55.73 54.71 1rgn s ARG 117 Cb 0.13 -1.64 -0.10 0.00 -0.45 0.00 0.00 34.95 32.88 1rgn s ARG 117 CO 0.01 -3.29 1.87 -2.13 -0.68 0.00 0.00 175.30 171.08 1rgn n ARG 118 N -4.56 2.75 -0.90 3.54 0.63 -1.26 -4.30 116.66 112.56 1rgn n ARG 118 Ca 0.05 1.00 -0.28 0.00 -0.92 0.00 0.00 57.85 57.70 1rgn n ARG 118 Cb 0.57 -2.91 -0.02 0.00 0.45 0.00 0.00 32.46 30.55 1rgn n ARG 118 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1rgn n ASP 119 N 6.10 4.85 -3.81 6.15 2.03 -1.26 -1.75 116.55 128.87 1rgn n ASP 119 Ca 0.19 -2.42 -0.10 0.00 0.52 0.00 0.00 54.79 52.97 1rgn n ASP 119 Cb 0.37 -1.16 -0.08 0.00 -0.72 0.00 0.00 41.12 39.53 1rgn n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1rgn s LEU 120 N 0.36 1.18 0.38 -2.67 1.43 -1.26 -4.93 118.68 113.17 1rgn s LEU 120 Ca 0.46 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 1rgn s LEU 120 Cb 0.12 1.15 -0.09 0.00 0.03 0.00 0.00 46.19 47.40 1rgn s LEU 120 CO -0.01 -0.64 1.07 -2.16 0.23 0.00 0.00 176.35 174.84 1rgn s PRO 121 N -2.98 4.21 0.23 1.29 0.05 -1.25 -0.97 135.00 135.58 1rgn s PRO 121 Ca -0.02 1.60 -0.31 0.00 0.05 0.00 0.00 61.00 62.31 1rgn s PRO 121 Cb 0.01 -2.65 -0.14 0.00 0.05 0.00 0.00 34.50 31.77 1rgn s PRO 121 CO -0.06 -0.12 1.35 -1.91 0.05 0.00 0.00 177.00 176.31 1rgn n GLU 122 N 0.13 1.84 -4.01 4.56 2.13 -1.26 -4.87 120.64 119.16 1rgn n GLU 122 Ca 0.04 0.65 -0.29 0.00 0.66 0.00 0.00 57.16 58.23 1rgn n GLU 122 Cb 0.48 -2.27 -0.05 0.00 0.27 0.00 0.00 31.44 29.87 1rgn n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1rgn s LEU 123 N 0.22 4.04 0.00 4.31 1.43 -1.26 -1.13 118.68 126.28 1rgn s LEU 123 Ca 0.69 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1rgn s LEU 123 Cb -0.69 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1rgn s LEU 123 CO 0.50 0.13 0.00 -0.90 0.23 0.00 0.00 176.35 176.31 1rgn n ASP 124 N 0.06 0.00 0.21 2.29 5.68 0.63 -4.63 116.55 120.79 1rgn n ASP 124 Ca -0.07 -0.99 0.15 0.00 -0.50 0.00 0.00 54.79 53.38 1rgn n ASP 124 Cb 0.53 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.08 1rgn n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1rgn h GLY 125 N 0.00 0.00 -2.25 6.12 0.00 -2.01 -1.09 103.07 103.84 1rgn h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rgn h GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 1rgn n HIS 126 N -2.75 0.68 -1.79 5.60 8.25 -1.26 -4.97 115.22 118.99 1rgn n HIS 126 Ca 0.02 -0.39 -0.08 0.00 -0.26 0.00 0.00 57.72 57.00 1rgn n HIS 126 Cb 0.30 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 1rgn n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rgn n GLY 127 N 1.37 0.43 3.89 -1.41 0.00 -0.41 -5.04 105.19 104.02 1rgn n GLY 127 Ca 0.20 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1rgn n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rgn s HIS 128 N -2.37 3.56 -0.32 1.61 3.76 -1.26 -4.81 115.29 115.46 1rgn s HIS 128 Ca 0.00 0.48 -0.41 0.00 -0.15 0.00 0.00 55.06 54.98 1rgn s HIS 128 Cb 0.00 -1.92 -0.16 0.00 1.11 0.00 0.00 32.58 31.60 1rgn s HIS 128 CO 0.00 0.62 1.73 0.09 -0.85 0.00 0.00 174.74 176.33 1rgn n ASN 129 N 1.00 2.20 0.24 1.40 3.02 -1.26 -0.27 115.26 121.59 1rgn n ASN 129 Ca -0.11 1.09 0.06 0.00 -0.03 0.00 0.00 54.58 55.60 1rgn n ASN 129 Cb 0.53 -1.10 0.56 0.00 -0.61 0.00 0.00 39.78 39.15 1rgn n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1rgn h LYS 130 N 6.92 0.00 -5.77 3.52 3.64 -1.39 -3.43 116.57 120.06 1rgn h LYS 130 Ca -0.46 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.27 1rgn h LYS 130 Cb 1.33 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.83 1rgn h LYS 130 CO 0.97 0.12 -0.87 0.42 -2.27 0.00 0.00 179.45 177.82 1rgn s ILE 131 N -4.75 1.88 0.03 2.00 1.01 -1.26 -1.28 121.20 118.83 1rgn s ILE 131 Ca -0.04 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.57 1rgn s ILE 131 Cb 0.16 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 1rgn s ILE 131 CO 0.68 0.53 0.13 -0.54 0.00 0.00 0.00 174.94 175.74 1rgn s LYS 132 N -0.08 0.59 0.62 2.79 1.02 0.03 -4.65 119.74 120.07 1rgn s LYS 132 Ca -0.05 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 1rgn s LYS 132 Cb -0.13 0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 37.40 1rgn s LYS 132 CO 0.04 -0.15 1.18 -1.25 -0.92 0.00 0.00 175.35 174.24 1rgn s PRO 133 N -2.30 2.85 0.36 -1.68 0.04 -1.26 0.86 135.00 133.86 1rgn s PRO 133 Ca -0.07 1.70 0.12 0.00 0.04 0.00 0.00 61.00 62.79 1rgn s PRO 133 Cb -0.03 -1.93 0.66 0.00 0.04 0.00 0.00 34.50 33.25 1rgn s PRO 133 CO -0.03 -1.27 1.79 1.98 0.04 0.00 0.00 177.00 179.51 1rgn h MET 134 N 0.56 0.00 -0.66 4.56 4.05 -1.35 -1.70 114.93 120.40 1rgn h MET 134 Ca -0.49 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 58.97 1rgn h MET 134 Cb 1.28 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.04 1rgn h MET 134 CO 0.54 0.41 0.44 1.57 0.23 0.00 0.00 176.91 180.10 1rgn h LYS 135 N 0.00 0.71 -0.00 0.39 2.10 -1.91 -1.85 116.57 116.00 1rgn h LYS 135 Ca -0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1rgn h LYS 135 Cb 0.72 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1rgn h LYS 135 CO 0.05 0.47 -0.33 0.00 -2.00 0.00 0.00 179.45 177.64 1rgn n ALA 136 N -2.45 3.22 -2.99 0.07 0.00 -0.68 -4.77 120.51 112.90 1rgn n ALA 136 Ca 0.09 -0.36 -0.44 0.00 0.00 0.00 0.00 53.44 52.73 1rgn n ALA 136 Cb 0.18 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1rgn n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rgn s ALA 137 N -2.72 3.42 -0.49 0.00 0.00 -0.70 -4.99 121.76 116.28 1rgn s ALA 137 Ca 0.19 -2.59 -0.45 0.00 0.00 0.00 0.00 51.96 49.11 1rgn s ALA 137 Cb 0.19 -3.87 -0.19 0.00 0.00 0.00 0.00 23.12 19.24 1rgn s ALA 137 CO 0.59 -2.76 1.80 0.00 0.00 0.00 0.00 175.76 175.38 1rgn n ALA 138 N 6.40 -0.68 -2.55 0.00 0.00 -1.26 -1.92 120.51 120.50 1rgn n ALA 138 Ca 0.13 0.36 -0.19 0.00 0.00 0.00 0.00 53.44 53.74 1rgn n ALA 138 Cb 0.47 -1.95 -0.00 0.00 0.00 0.00 0.00 19.45 17.97 1rgn n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgn n GLY 139 N 5.38 -0.50 3.78 0.00 0.00 -1.26 -4.98 105.19 107.60 1rgn n GLY 139 Ca 0.40 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 1rgn n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rgn s PHE 140 N -2.94 3.56 -0.00 1.61 0.40 -0.81 -5.09 117.98 114.71 1rgn s PHE 140 Ca 0.07 0.72 -0.14 0.00 -0.60 0.00 0.00 56.93 56.97 1rgn s PHE 140 Cb -0.03 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.23 1rgn s PHE 140 CO 0.08 0.41 0.30 -3.38 0.70 0.00 0.00 175.22 173.33 1rgn s HIS 141 N -0.15 -0.15 -0.09 0.36 -3.43 -1.26 -4.96 115.29 105.62 1rgn s HIS 141 Ca 0.19 0.18 -0.39 0.00 -0.80 0.00 0.00 55.06 54.25 1rgn s HIS 141 Cb -0.14 0.08 -0.16 0.00 -1.43 0.00 0.00 32.58 30.93 1rgn s HIS 141 CO 0.07 -0.40 1.52 0.28 -2.00 0.00 0.00 174.74 174.20 1rgn n VAL 142 N 1.16 0.14 0.29 -5.38 0.31 -1.26 -4.93 118.33 108.66 1rgn n VAL 142 Ca -0.21 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.13 1rgn n VAL 142 Cb 0.57 -0.97 -0.05 0.00 -0.91 0.00 0.00 33.84 32.47 1rgn n VAL 142 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1rgn n SER 143 N 3.79 1.11 -3.59 4.52 3.41 -1.26 -5.05 113.62 116.54 1rgn n SER 143 Ca 0.22 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 58.22 1rgn n SER 143 Cb 0.16 1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 65.15 1rgn n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rgn s ALA 144 N -2.01 -1.94 0.00 7.33 0.00 -1.26 -5.15 121.76 118.74 1rgn s ALA 144 Ca 0.01 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1rgn s ALA 144 Cb 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1rgn s ALA 144 CO 0.35 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1rgn n GLY 145 N 1.16 -0.21 3.71 0.00 0.00 -1.26 -4.88 105.19 103.70 1rgn n GLY 145 Ca -0.11 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1rgn n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rgn s LYS 146 N -1.22 4.54 -0.28 1.61 2.47 -1.26 -4.98 119.74 120.62 1rgn s LYS 146 Ca 0.00 1.42 -0.29 0.00 -1.56 0.00 0.00 55.97 55.54 1rgn s LYS 146 Cb 0.00 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.89 1rgn s LYS 146 CO 0.00 -0.09 1.43 1.21 0.16 0.00 0.00 175.35 178.06 1rgn s ASN 147 N 1.02 6.54 0.36 1.43 3.84 -1.26 -4.90 114.94 121.96 1rgn s ASN 147 Ca 0.51 1.34 0.27 0.00 0.21 0.00 0.00 52.86 55.20 1rgn s ASN 147 Cb -0.21 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.88 1rgn s ASN 147 CO 0.27 -1.17 1.78 1.55 -2.79 0.00 0.00 177.10 176.74 1rgn h PRO 148 N 9.92 0.00 -6.50 0.43 0.13 -1.96 -3.45 132.00 130.55 1rgn h PRO 148 Ca -0.29 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.31 1rgn h PRO 148 Cb 1.12 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.29 1rgn h PRO 148 CO 1.02 0.00 1.10 0.42 -0.23 0.00 0.00 178.00 180.32 1rgn s ILE 149 N -3.33 2.58 0.00 -3.56 1.01 -1.26 -1.07 121.20 115.57 1rgn s ILE 149 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1rgn s ILE 149 Cb 0.09 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1rgn s ILE 149 CO 0.53 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1rgn n GLY 150 N 4.22 3.30 3.75 6.18 0.00 -0.17 -4.99 105.19 117.49 1rgn n GLY 150 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1rgn n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rgn s LEU 151 N 0.00 4.47 0.46 0.99 1.43 -0.23 -4.62 118.68 121.17 1rgn s LEU 151 Ca 0.00 2.41 -0.23 0.00 -1.03 0.00 0.00 54.13 55.28 1rgn s LEU 151 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 1rgn s LEU 151 CO 0.00 -0.38 1.19 -2.16 0.23 0.00 0.00 176.35 175.22 1rgn s PRO 152 N -1.00 3.75 -0.20 1.29 0.04 -1.26 -0.41 135.00 137.21 1rgn s PRO 152 Ca 0.50 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 63.30 1rgn s PRO 152 Cb -0.35 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1rgn s PRO 152 CO 0.43 -0.57 0.07 0.08 0.04 0.00 0.00 177.00 177.05 1rgn s VAL 153 N -1.50 4.74 -0.04 -0.36 1.01 -0.12 -1.16 120.40 122.97 1rgn s VAL 153 Ca 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 1rgn s VAL 153 Cb -0.30 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1rgn s VAL 153 CO 0.37 0.42 0.02 -0.60 0.00 0.00 0.00 175.10 175.30 1rgn s ARG 154 N 0.73 2.94 0.57 2.72 3.52 -0.12 0.63 118.95 129.94 1rgn s ARG 154 Ca 0.04 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 1rgn s ARG 154 Cb -0.13 -2.77 0.07 0.00 -1.56 0.00 0.00 34.95 30.56 1rgn s ARG 154 CO 0.02 0.67 0.78 0.20 -0.81 0.00 0.00 175.30 176.16 1rgn s GLY 155 N -1.26 1.79 0.58 8.12 0.00 -0.25 -1.27 107.32 115.04 1rgn s GLY 155 Ca 0.17 -1.88 0.36 0.00 0.00 0.00 0.00 44.72 43.37 1rgn s GLY 155 CO 0.07 -1.48 2.07 0.00 0.00 0.00 0.00 173.10 173.76 1rgn n ASP 157 N -3.10 0.00 -2.55 0.00 5.75 -1.26 -3.79 116.55 111.60 1rgn n ASP 157 Ca -0.00 -1.40 -0.21 0.00 -0.01 0.00 0.00 54.79 53.17 1rgn n ASP 157 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1rgn n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rgn n LEU 158 N -0.51 -2.04 -4.50 -2.12 4.77 0.41 -5.00 117.00 108.01 1rgn n LEU 158 Ca 0.00 -0.07 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1rgn n LEU 158 Cb 0.00 -2.89 -0.12 0.00 -2.33 0.00 0.00 43.42 38.08 1rgn n LEU 158 CO 0.00 -0.11 -0.46 -0.70 -1.33 0.00 0.00 177.39 174.79 1rgn s GLU 159 N -5.20 2.17 -0.05 3.23 2.56 -1.25 -4.93 118.70 115.23 1rgn s GLU 159 Ca 0.07 -0.93 -0.30 0.00 0.00 0.00 0.00 54.97 53.81 1rgn s GLU 159 Cb -0.03 -2.26 -0.03 0.00 2.00 0.00 0.00 34.13 33.81 1rgn s GLU 159 CO 0.09 0.55 1.08 0.42 -0.56 0.00 0.00 175.26 176.84 1rgn s ILE 160 N -0.97 4.55 -1.36 -3.70 -1.09 -1.26 -1.09 121.20 116.29 1rgn s ILE 160 Ca 0.16 1.83 0.20 0.00 -2.23 0.00 0.00 60.65 60.61 1rgn s ILE 160 Cb -0.11 -4.18 -0.12 0.00 -1.58 0.00 0.00 42.46 36.48 1rgn s ILE 160 CO 0.07 0.05 0.91 0.00 -1.23 0.00 0.00 174.94 174.74 1rgn n ALA 161 N 4.69 4.04 0.00 9.38 0.00 0.21 -4.94 120.51 133.88 1rgn n ALA 161 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1rgn n ALA 161 Cb 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1rgn n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rgn n GLY 162 N 1.40 -0.51 3.03 0.00 0.00 -1.20 -4.38 105.19 103.53 1rgn n GLY 162 Ca 0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1rgn n GLY 162 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rgn s LYS 163 N -1.82 0.20 0.19 1.61 2.20 -1.06 -0.94 119.74 120.11 1rgn s LYS 163 Ca 0.00 0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 1rgn s LYS 163 Cb 0.00 0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 36.33 1rgn s LYS 163 CO 0.00 -0.03 0.94 0.08 -0.36 0.00 0.00 175.35 175.98 1rgn s VAL 164 N -0.11 4.23 0.00 4.02 1.01 0.46 -1.40 120.40 128.60 1rgn s VAL 164 Ca -0.02 2.07 0.00 0.00 0.00 0.00 0.00 61.98 64.03 1rgn s VAL 164 Cb -0.02 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1rgn s VAL 164 CO 0.00 0.44 0.02 1.33 0.00 0.00 0.00 175.10 176.89 1rgn n VAL 165 N 1.94 0.00 -3.62 2.92 0.24 -0.55 -0.99 118.33 118.26 1rgn n VAL 165 Ca -0.01 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.34 61.87 1rgn n VAL 165 Cb 0.48 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1rgn n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rgn s ASP 166 N -0.78 -0.03 -0.11 -1.34 -1.08 -1.22 -4.90 116.67 107.20 1rgn s ASP 166 Ca 0.00 -0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 52.01 1rgn s ASP 166 Cb 0.00 0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.47 1rgn s ASP 166 CO 0.00 -0.07 -0.06 -0.63 0.52 0.00 0.00 175.17 174.93 1rgn s ILE 167 N -2.11 3.72 -0.28 4.11 1.01 -1.26 -1.49 121.20 124.90 1rgn s ILE 167 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1rgn s ILE 167 Cb 0.01 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1rgn s ILE 167 CO -0.04 0.55 0.15 0.26 0.00 0.00 0.00 174.94 175.86 1rgn s TRP 168 N -0.19 3.17 0.18 3.97 0.52 0.61 -0.83 118.94 126.36 1rgn s TRP 168 Ca 0.03 -0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.03 1rgn s TRP 168 Cb -0.13 -2.33 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 1rgn s TRP 168 CO 0.03 -0.29 -0.05 0.14 0.02 0.00 0.00 176.95 176.80 1rgn s VAL 169 N 1.68 3.46 -0.52 4.03 -7.23 0.25 -0.37 120.40 121.71 1rgn s VAL 169 Ca 0.06 -1.56 -0.23 0.00 -1.81 0.00 0.00 61.98 58.44 1rgn s VAL 169 Cb -0.16 -2.73 0.04 0.00 0.56 0.00 0.00 36.38 34.09 1rgn s VAL 169 CO 0.08 -0.12 0.87 -0.62 -0.31 0.00 0.00 175.10 174.99 1rgn s ASP 170 N -2.92 6.36 0.06 4.85 -1.08 0.72 -0.79 116.67 123.86 1rgn s ASP 170 Ca 0.26 -0.32 -0.36 0.00 -0.52 0.00 0.00 52.55 51.61 1rgn s ASP 170 Cb -0.09 -2.41 -0.20 0.00 -1.46 0.00 0.00 42.92 38.76 1rgn s ASP 170 CO 0.17 -1.10 1.54 0.40 0.52 0.00 0.00 175.17 176.70 1rgn h ILE 171 N 6.00 0.00 -0.75 4.11 5.03 -1.50 -0.25 117.51 130.15 1rgn h ILE 171 Ca -0.26 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.63 1rgn h ILE 171 Cb 1.08 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.77 1rgn h ILE 171 CO 1.04 0.00 0.29 1.55 -0.68 0.00 0.00 178.15 180.35 1rgn h PRO 172 N -1.28 0.42 -0.22 2.37 0.13 -1.95 -2.58 132.00 128.89 1rgn h PRO 172 Ca -0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1rgn h PRO 172 Cb 0.99 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1rgn h PRO 172 CO 0.19 0.27 0.00 0.39 -0.23 0.00 0.00 178.00 178.63 1rgn n GLU 173 N -5.01 2.13 -3.64 0.86 1.02 -1.21 -5.00 120.64 109.79 1rgn n GLU 173 Ca 0.14 -1.70 -0.25 0.00 -0.02 0.00 0.00 57.16 55.33 1rgn n GLU 173 Cb 0.42 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 1rgn n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rgn n GLN 174 N 0.94 -1.64 -3.65 3.49 6.02 -0.11 -4.98 117.38 117.45 1rgn n GLN 174 Ca 0.17 1.02 -0.11 0.00 -0.01 0.00 0.00 57.00 58.07 1rgn n GLN 174 Cb 0.49 -2.62 -0.08 0.00 1.02 0.00 0.00 30.24 29.05 1rgn n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1rgn s MET 175 N -4.14 0.72 -0.04 -1.09 1.75 -1.19 -4.99 119.30 110.32 1rgn s MET 175 Ca 0.10 1.01 -0.30 0.00 -1.25 0.00 0.00 55.69 55.25 1rgn s MET 175 Cb -0.01 0.27 -0.03 0.00 2.84 0.00 0.00 34.83 37.89 1rgn s MET 175 CO 0.88 -0.12 1.19 0.00 -0.65 0.00 0.00 175.02 176.32 1rgn s ALA 176 N 0.85 3.48 -0.18 4.11 0.00 -1.26 -0.20 121.76 128.55 1rgn s ALA 176 Ca -0.04 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 1rgn s ALA 176 Cb -0.05 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1rgn s ALA 176 CO -0.07 -0.72 -0.23 0.54 0.00 0.00 0.00 175.76 175.28 1rgn n ARG 177 N 5.04 0.39 -4.37 0.00 1.74 0.50 -4.82 116.66 115.14 1rgn n ARG 177 Ca 0.11 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.16 1rgn n ARG 177 Cb 0.46 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.64 1rgn n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1rgn s PHE 178 N -2.34 1.80 -0.20 -1.55 0.40 -0.88 -0.21 117.98 115.00 1rgn s PHE 178 Ca -0.25 -0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 55.42 1rgn s PHE 178 Cb 0.10 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 1rgn s PHE 178 CO 0.33 0.36 0.05 -0.51 0.70 0.00 0.00 175.22 176.15 1rgn s LEU 179 N -3.35 3.61 0.01 -0.37 1.43 0.59 -0.29 118.68 120.31 1rgn s LEU 179 Ca 0.24 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.13 1rgn s LEU 179 Cb -0.00 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1rgn s LEU 179 CO 0.08 0.10 0.48 -0.70 0.23 0.00 0.00 176.35 176.54 1rgn s GLU 180 N 0.80 4.09 -0.06 1.70 2.12 -0.56 -0.62 118.70 126.17 1rgn s GLU 180 Ca 0.03 0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.91 1rgn s GLU 180 Cb -0.14 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.01 1rgn s GLU 180 CO 0.02 0.58 -0.07 0.08 -0.54 0.00 0.00 175.26 175.34 1rgn s VAL 181 N -0.80 0.78 -0.10 3.70 1.01 0.14 -1.49 120.40 123.64 1rgn s VAL 181 Ca 0.26 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1rgn s VAL 181 Cb -0.17 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1rgn s VAL 181 CO 0.15 0.29 0.52 -0.70 0.00 0.00 0.00 175.10 175.36 1rgn s GLU 182 N 1.07 4.34 0.41 2.72 2.12 -0.49 -0.77 118.70 128.09 1rgn s GLU 182 Ca -0.08 0.54 0.08 0.00 0.36 0.00 0.00 54.97 55.87 1rgn s GLU 182 Cb -0.14 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1rgn s GLU 182 CO -0.01 0.17 0.51 -0.51 -0.54 0.00 0.00 175.26 174.89 1rgn s LEU 183 N 0.55 3.64 0.61 2.70 1.43 0.06 -2.58 118.68 125.09 1rgn s LEU 183 Ca 0.28 -0.46 0.27 0.00 -1.03 0.00 0.00 54.13 53.19 1rgn s LEU 183 Cb -0.16 -2.54 1.11 0.00 0.03 0.00 0.00 46.19 44.64 1rgn s LEU 183 CO 0.12 -0.69 1.52 0.50 0.23 0.00 0.00 176.35 178.03 1rgn h LYS 184 N 0.76 0.00 -0.63 1.70 1.63 -1.89 0.64 116.57 118.78 1rgn h LYS 184 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1rgn h LYS 184 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1rgn h LYS 184 CO 0.49 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 176.09 1rgn n ASP 185 N -3.36 3.87 0.00 4.20 5.75 -1.26 -5.00 116.55 120.75 1rgn n ASP 185 Ca 0.16 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1rgn n ASP 185 Cb 1.17 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 1rgn n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rgn n GLY 186 N 1.28 3.10 3.73 6.12 0.00 0.22 -5.03 105.19 114.62 1rgn n GLY 186 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1rgn n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rgn s SER 187 N -0.80 3.68 0.30 1.61 1.04 -1.26 -4.68 113.70 113.59 1rgn s SER 187 Ca 0.00 1.50 0.08 0.00 0.48 0.00 0.00 55.95 58.01 1rgn s SER 187 Cb 0.00 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.87 1rgn s SER 187 CO 0.00 -2.51 -0.07 0.42 0.98 0.00 0.00 173.24 172.06 1rgn s THR 188 N -2.95 1.86 0.02 2.02 -4.23 -1.26 -0.76 115.64 110.34 1rgn s THR 188 Ca 0.63 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1rgn s THR 188 Cb -0.17 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1rgn s THR 188 CO 0.57 -0.26 0.03 -0.13 -0.54 0.00 0.00 174.62 174.28 1rgn s ARG 189 N -3.68 0.38 0.21 3.99 1.81 0.05 -4.86 118.95 116.84 1rgn s ARG 189 Ca 0.31 -0.56 -0.25 0.00 -1.72 0.00 0.00 55.73 53.50 1rgn s ARG 189 Cb 0.03 0.14 -0.08 0.00 -0.45 0.00 0.00 34.95 34.59 1rgn s ARG 189 CO 0.14 -0.07 0.82 -0.51 -0.68 0.00 0.00 175.30 174.99 1rgn s LEU 190 N -1.48 4.52 -0.10 2.53 1.43 -1.26 0.24 118.68 124.56 1rgn s LEU 190 Ca -0.15 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1rgn s LEU 190 Cb -0.09 -3.51 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1rgn s LEU 190 CO -0.00 0.13 -0.14 -0.76 0.23 0.00 0.00 176.35 175.80 1rgn s LEU 191 N -1.45 1.65 0.32 1.79 1.43 0.21 -4.97 118.68 117.65 1rgn s LEU 191 Ca 0.40 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 1rgn s LEU 191 Cb -0.22 -1.00 -0.12 0.00 0.03 0.00 0.00 46.19 44.89 1rgn s LEU 191 CO 0.26 0.01 1.41 -0.81 0.23 0.00 0.00 176.35 177.45 1rgn n PRO 192 N 4.16 2.35 -0.20 1.29 -0.04 -1.26 -0.30 135.00 141.00 1rgn n PRO 192 Ca -0.19 0.83 -0.06 0.00 -0.04 0.00 0.00 63.50 64.04 1rgn n PRO 192 Cb 0.51 -2.50 0.10 0.00 -0.04 0.00 0.00 33.50 31.58 1rgn n PRO 192 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1rgn h MET 193 N 3.35 1.02 0.00 0.54 2.86 -0.91 -1.54 114.93 120.24 1rgn h MET 193 Ca -0.47 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 1rgn h MET 193 Cb 1.26 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1rgn h MET 193 CO 0.68 0.91 0.09 1.96 1.06 0.00 0.00 176.91 181.61 1rgn h GLN 194 N 0.96 0.00 -0.40 1.72 7.50 -1.91 -2.08 115.11 120.90 1rgn h GLN 194 Ca 0.20 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.31 1rgn h GLN 194 Cb 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.87 1rgn h GLN 194 CO 0.00 0.00 0.03 -1.33 -1.50 0.00 0.00 178.83 176.03 1rgn n MET 195 N -2.93 3.39 -4.16 1.46 2.81 -0.58 -4.98 117.12 112.14 1rgn n MET 195 Ca -0.03 -2.98 -0.17 0.00 -1.81 0.00 0.00 57.70 52.71 1rgn n MET 195 Cb 0.15 -1.99 -0.12 0.00 -0.71 0.00 0.00 33.22 30.55 1rgn n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1rgn s VAL 196 N -2.88 1.02 -0.38 2.03 -7.23 -0.79 -4.58 120.40 107.60 1rgn s VAL 196 Ca 0.47 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.24 1rgn s VAL 196 Cb 0.38 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 36.33 1rgn s VAL 196 CO 0.10 -0.27 0.20 -0.75 -0.31 0.00 0.00 175.10 174.08 1rgn s LYS 197 N -1.78 2.79 -0.08 4.82 2.20 -0.02 -4.97 119.74 122.70 1rgn s LYS 197 Ca -0.03 -1.11 -0.30 0.00 -0.36 0.00 0.00 55.97 54.17 1rgn s LYS 197 Cb -0.10 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1rgn s LYS 197 CO 0.02 -0.71 1.00 0.08 -0.36 0.00 0.00 175.35 175.38 1rgn s VAL 198 N 1.53 4.80 0.29 4.02 1.01 -1.26 -0.50 120.40 130.29 1rgn s VAL 198 Ca 0.02 2.05 0.07 0.00 0.00 0.00 0.00 61.98 64.11 1rgn s VAL 198 Cb -0.19 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1rgn s VAL 198 CO 0.06 0.04 -0.05 -1.10 0.00 0.00 0.00 175.10 174.05 1rgn s GLN 199 N 1.79 1.58 0.53 2.72 -0.21 0.49 -4.99 119.66 121.58 1rgn s GLN 199 Ca 0.49 -1.81 0.36 0.00 0.02 0.00 0.00 55.36 54.42 1rgn s GLN 199 Cb -0.19 -1.17 1.53 0.00 1.00 0.00 0.00 33.01 34.17 1rgn s GLN 199 CO 0.20 0.02 1.78 0.66 -2.12 0.00 0.00 175.29 175.84 1rgn h SER 200 N 2.24 0.04 0.00 5.90 4.64 -2.01 -3.08 113.55 121.28 1rgn h SER 200 Ca -0.40 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1rgn h SER 200 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1rgn h SER 200 CO 0.68 0.00 -0.60 -0.46 -0.87 0.00 0.00 176.83 175.58 1rgn n ASN 201 N -4.21 0.20 0.00 4.97 6.94 -1.26 -5.10 115.26 116.80 1rgn n ASN 201 Ca 0.27 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1rgn n ASN 201 Cb 1.27 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 1rgn n ASN 201 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1rgn n ARG 202 N 0.10 0.00 -4.11 -3.83 0.63 -1.17 -4.67 116.66 103.62 1rgn n ARG 202 Ca 0.01 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.59 1rgn n ARG 202 Cb 0.79 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.60 1rgn n ARG 202 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1rgn s VAL 203 N -2.00 4.67 -0.08 5.15 1.01 -0.31 -0.38 120.40 128.46 1rgn s VAL 203 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1rgn s VAL 203 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1rgn s VAL 203 CO 0.00 0.51 -0.13 -2.28 0.00 0.00 0.00 175.10 173.19 1rgn s HIS 204 N -0.01 2.76 -0.29 5.22 2.46 0.34 -0.94 115.29 124.82 1rgn s HIS 204 Ca 0.05 -0.35 0.02 0.00 0.47 0.00 0.00 55.06 55.25 1rgn s HIS 204 Cb -0.12 -1.72 0.08 0.00 -0.13 0.00 0.00 32.58 30.69 1rgn s HIS 204 CO 0.01 0.03 0.02 0.08 -2.47 0.00 0.00 174.74 172.40 1rgn s VAL 205 N -0.28 1.65 0.12 0.89 1.01 -0.40 -0.84 120.40 122.56 1rgn s VAL 205 Ca 0.02 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.23 1rgn s VAL 205 Cb -0.13 -2.09 -0.14 0.00 0.00 0.00 0.00 36.38 34.02 1rgn s VAL 205 CO 0.03 -0.41 1.35 -1.13 0.00 0.00 0.00 175.10 174.93 1rgn h ASN 206 N 7.86 0.84 -1.05 3.32 -1.24 -1.86 -2.56 115.58 120.89 1rgn h ASN 206 Ca -0.12 -0.54 0.28 0.00 0.71 0.00 0.00 56.30 56.63 1rgn h ASN 206 Cb 1.04 -0.25 -0.11 0.00 0.73 0.00 0.00 38.32 39.73 1rgn h ASN 206 CO 0.47 1.32 0.65 0.00 -1.29 0.00 0.00 177.43 178.59 1rgn h ALA 207 N 0.66 2.12 -3.45 1.57 0.00 -1.86 -3.40 119.26 114.90 1rgn h ALA 207 Ca -0.04 0.10 -0.49 0.00 0.00 0.00 0.00 54.91 54.48 1rgn h ALA 207 Cb 1.36 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 19.00 1rgn h ALA 207 CO 0.15 -0.59 -0.80 -0.51 0.00 0.00 0.00 179.25 177.50 1rgn s LEU 208 N -9.92 2.31 0.12 0.00 1.43 -1.24 -3.09 118.68 108.29 1rgn s LEU 208 Ca -0.09 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1rgn s LEU 208 Cb 0.27 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1rgn s LEU 208 CO 0.80 -0.02 0.23 -0.94 0.23 0.00 0.00 176.35 176.66 1rgn s SER 209 N -1.96 6.23 0.19 2.29 1.04 -1.26 -0.58 113.70 119.65 1rgn s SER 209 Ca 0.04 0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.44 1rgn s SER 209 Cb -0.09 -1.86 0.13 0.00 0.10 0.00 0.00 66.02 64.30 1rgn s SER 209 CO 0.04 0.10 1.58 0.77 0.98 0.00 0.00 173.24 176.71 1rgn h SER 210 N 2.56 -1.19 0.00 7.02 4.64 -1.88 0.79 113.55 125.49 1rgn h SER 210 Ca -0.47 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1rgn h SER 210 Cb 1.18 0.59 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1rgn h SER 210 CO 0.71 -0.30 0.04 -0.90 -0.87 0.00 0.00 176.83 175.51 1rgn n ASP 211 N -5.44 0.00 -1.01 4.97 5.75 -1.26 -1.96 116.55 117.60 1rgn n ASP 211 Ca 0.05 0.32 0.10 0.00 -0.01 0.00 0.00 54.79 55.25 1rgn n ASP 211 Cb 0.36 -0.32 0.21 0.00 -1.03 0.00 0.00 41.12 40.33 1rgn n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rgn n LEU 212 N -1.31 3.30 0.09 -2.12 4.77 0.27 -4.50 117.00 117.50 1rgn n LEU 212 Ca 0.00 -1.68 -0.21 0.00 -0.03 0.00 0.00 56.01 54.09 1rgn n LEU 212 Cb 0.04 -0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 1rgn n LEU 212 CO 0.00 0.76 -0.03 -0.26 -1.33 0.00 0.00 177.39 176.53 1rgn h PHE 213 N 3.63 0.95 -0.48 -1.77 -1.00 -1.44 -3.10 116.94 113.72 1rgn h PHE 213 Ca 0.00 -0.59 0.09 0.00 2.81 0.00 0.00 57.97 60.28 1rgn h PHE 213 Cb 0.87 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.33 1rgn h PHE 213 CO 0.28 1.43 0.33 0.00 -1.61 0.00 0.00 178.31 178.73 1rgn h ALA 214 N 0.36 2.08 0.00 2.45 0.00 -1.79 -2.38 119.26 119.99 1rgn h ALA 214 Ca -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1rgn h ALA 214 Cb 1.88 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 1rgn h ALA 214 CO 0.23 -0.19 -0.11 0.78 0.00 0.00 0.00 179.25 179.95 1rgn h GLY 215 N 0.28 0.00 -5.66 0.00 0.00 -1.81 -3.44 103.07 92.43 1rgn h GLY 215 Ca 0.22 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.89 1rgn h GLY 215 CO -0.05 0.00 0.78 1.39 0.00 0.00 0.00 176.54 178.67 1rgn n ILE 216 N -3.22 0.21 -1.68 2.60 5.41 -0.90 -4.88 119.36 116.90 1rgn n ILE 216 Ca 0.01 -0.04 -0.46 0.00 1.00 0.00 0.00 62.75 63.26 1rgn n ILE 216 Cb 0.41 -1.30 -0.04 0.00 -0.71 0.00 0.00 39.64 38.00 1rgn n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1rgn n PRO 217 N 4.36 2.31 -1.89 0.38 -0.02 -1.26 -5.01 135.00 133.86 1rgn n PRO 217 Ca 0.21 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 62.24 1rgn n PRO 217 Cb 0.21 -2.67 0.12 0.00 -0.02 0.00 0.00 33.50 31.15 1rgn n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rgn s THR 218 N 2.49 2.00 0.12 3.45 -4.23 -1.26 -4.74 115.64 113.46 1rgn s THR 218 Ca 0.85 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.43 1rgn s THR 218 Cb -0.64 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1rgn s THR 218 CO 0.43 0.00 -0.10 0.27 -0.54 0.00 0.00 174.62 174.67 1rgn s ILE 219 N -3.66 3.32 -0.11 2.99 -4.36 -1.26 -5.00 121.20 113.11 1rgn s ILE 219 Ca 0.66 -1.35 0.22 0.00 -0.26 0.00 0.00 60.65 59.92 1rgn s ILE 219 Cb -0.09 -2.57 0.22 0.00 1.25 0.00 0.00 42.46 41.27 1rgn s ILE 219 CO 0.50 0.07 1.66 0.07 0.24 0.00 0.00 174.94 177.49 1rgn h LYS 220 N 3.49 0.00 -4.24 0.37 -0.00 -1.99 -3.44 116.57 110.76 1rgn h LYS 220 Ca -0.49 0.00 -0.36 0.00 -0.00 0.00 0.00 60.65 59.80 1rgn h LYS 220 Cb 1.17 0.00 -0.31 0.00 -0.00 0.00 0.00 32.23 33.10 1rgn h LYS 220 CO 0.52 0.24 -0.76 0.45 -0.00 0.00 0.00 179.45 179.89 1rgn s SER 221 N -6.24 0.76 0.00 7.07 0.15 -1.26 -5.08 113.70 109.11 1rgn s SER 221 Ca 0.03 -0.11 0.24 0.00 0.70 0.00 0.00 55.95 56.81 1rgn s SER 221 Cb 0.08 -0.21 1.09 0.00 -1.71 0.00 0.00 66.02 65.27 1rgn s SER 221 CO 0.67 0.02 1.78 -0.81 1.20 0.00 0.00 173.24 176.11 1rgn n PRO 222 N 3.36 0.12 -0.08 5.44 -0.04 -1.26 -3.82 135.00 138.73 1rgn n PRO 222 Ca -0.18 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.38 1rgn n PRO 222 Cb 0.55 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1rgn n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rgn n THR 223 N -1.43 0.91 -3.92 0.52 -2.24 -1.26 -4.91 114.28 101.96 1rgn n THR 223 Ca 0.08 -1.00 -0.08 0.00 -2.27 0.00 0.00 64.05 60.77 1rgn n THR 223 Cb 0.25 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 1rgn n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1rgn s GLU 224 N -1.16 0.76 0.01 -0.78 -1.05 -1.25 -4.62 118.70 110.61 1rgn s GLU 224 Ca 0.08 -0.98 0.06 0.00 -0.15 0.00 0.00 54.97 53.98 1rgn s GLU 224 Cb 0.07 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 34.04 1rgn s GLU 224 CO 0.01 -0.22 -0.20 0.08 0.95 0.00 0.00 175.26 175.88 1rgn s VAL 225 N -3.70 1.57 0.26 1.83 1.01 -1.26 -4.60 120.40 115.51 1rgn s VAL 225 Ca 0.04 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1rgn s VAL 225 Cb 0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1rgn s VAL 225 CO -0.10 0.34 0.44 0.42 0.00 0.00 0.00 175.10 176.21 1rgn s THR 226 N -0.59 5.18 0.29 3.92 -4.23 -1.26 -3.77 115.64 115.17 1rgn s THR 226 Ca 0.07 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1rgn s THR 226 Cb -0.08 -3.81 0.29 0.00 1.34 0.00 0.00 72.50 70.24 1rgn s THR 226 CO 0.00 -0.35 1.84 -0.07 -0.54 0.00 0.00 174.62 175.51 1rgn h LEU 227 N 1.36 0.91 -0.68 4.79 3.38 -1.01 0.04 115.31 124.10 1rgn h LEU 227 Ca -0.49 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.54 1rgn h LEU 227 Cb 1.21 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1rgn h LEU 227 CO 0.64 0.49 0.44 0.25 0.09 0.00 0.00 178.44 180.35 1rgn h LEU 228 N 0.98 0.74 -0.78 1.67 5.85 -1.53 -2.45 115.31 119.80 1rgn h LEU 228 Ca 0.49 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 59.08 1rgn h LEU 228 Cb 0.49 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1rgn h LEU 228 CO -0.25 0.53 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.64 1rgn h GLU 229 N 0.88 0.44 -0.83 1.25 5.08 -1.54 -1.80 114.58 118.07 1rgn h GLU 229 Ca 0.26 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1rgn h GLU 229 Cb -0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1rgn h GLU 229 CO -0.08 0.77 0.41 0.93 -1.00 0.00 0.00 179.01 180.05 1rgn h GLU 230 N 0.37 1.19 -0.30 2.33 5.08 -0.94 -0.31 114.58 121.99 1rgn h GLU 230 Ca 0.03 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 1rgn h GLU 230 Cb 0.87 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1rgn h GLU 230 CO 0.07 0.90 -0.50 -0.44 -1.00 0.00 0.00 179.01 178.05 1rgn h ASP 231 N 1.17 0.95 -0.59 1.42 5.19 -1.11 -0.33 116.42 123.13 1rgn h ASP 231 Ca 0.29 -0.52 -0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1rgn h ASP 231 Cb 0.10 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 1rgn h ASP 231 CO -0.04 1.29 0.23 0.11 -3.12 0.00 0.00 179.24 177.72 1rgn h LYS 232 N 0.65 0.92 -0.00 3.56 1.57 -1.13 -1.18 116.57 120.96 1rgn h LYS 232 Ca 0.02 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1rgn h LYS 232 Cb 1.11 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1rgn h LYS 232 CO 0.11 0.77 -0.00 0.82 -0.57 0.00 0.00 179.45 180.58 1rgn h ILE 233 N 0.90 1.59 -0.71 1.86 2.04 -0.81 -2.19 117.51 120.20 1rgn h ILE 233 Ca 0.21 -1.73 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1rgn h ILE 233 Cb 0.20 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 1rgn h ILE 233 CO -0.02 0.45 0.20 0.00 0.00 0.00 0.00 178.15 178.78 1rgn h GLY 235 N 1.09 -0.14 0.91 0.00 0.00 -1.29 -2.13 103.07 101.50 1rgn h GLY 235 Ca 0.23 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.69 1rgn h GLY 235 CO -0.00 -0.12 -0.04 -1.82 0.00 0.00 0.00 176.54 174.57 1rgn h TYR 236 N -0.19 -0.09 -0.00 5.60 3.20 -1.03 -0.47 116.97 123.98 1rgn h TYR 236 Ca 0.04 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 1rgn h TYR 236 Cb 0.24 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1rgn h TYR 236 CO -0.17 -0.06 -0.82 -0.39 -1.64 0.00 0.00 178.16 175.09 1rgn h VAL 237 N -0.07 1.52 -0.63 1.81 -1.51 -1.39 -2.45 116.25 113.52 1rgn h VAL 237 Ca 0.01 -2.60 -0.04 0.00 -1.23 0.00 0.00 66.70 62.84 1rgn h VAL 237 Cb 0.08 2.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.64 1rgn h VAL 237 CO -0.04 0.75 0.22 0.00 -1.23 0.00 0.00 177.57 177.28 1rgn h ALA 238 N 1.09 1.20 0.00 5.19 0.00 -1.14 -2.95 119.26 122.65 1rgn h ALA 238 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rgn h ALA 238 Cb 1.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rgn h ALA 238 CO 0.12 0.57 0.00 0.78 0.00 0.00 0.00 179.25 180.72 1rgn h GLY 239 N 1.02 0.00 2.00 0.00 0.00 -0.59 -2.72 103.07 102.78 1rgn h GLY 239 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1rgn h GLY 239 CO -0.01 0.00 -0.29 -1.33 0.00 0.00 0.00 176.54 174.91 1rgn h GLY 240 N 1.44 0.00 0.57 4.60 0.00 -1.44 0.15 103.07 108.38 1rgn h GLY 240 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1rgn h GLY 240 CO 0.00 0.00 0.30 1.41 0.00 0.00 0.00 176.54 178.25 1rgn h LEU 241 N 0.00 0.40 0.05 3.11 3.38 -1.41 -1.26 115.31 119.58 1rgn h LEU 241 Ca -0.00 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1rgn h LEU 241 Cb 0.54 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.29 1rgn h LEU 241 CO 0.04 0.25 -0.74 -0.03 0.09 0.00 0.00 178.44 178.05 1rgn h MET 242 N 0.55 0.42 0.00 1.13 4.05 -1.68 -3.40 114.93 115.99 1rgn h MET 242 Ca 0.29 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1rgn h MET 242 Cb 0.27 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1rgn h MET 242 CO -0.23 1.18 -0.89 0.66 0.23 0.00 0.00 176.91 177.86 1rgn n TYR 243 N -4.14 0.00 -0.00 1.39 4.01 0.49 -3.93 117.16 114.98 1rgn n TYR 243 Ca -0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.60 1rgn n TYR 243 Cb 0.75 -0.07 -0.11 0.00 -0.31 0.00 0.00 39.34 39.60 1rgn n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rgn n ALA 244 N -1.51 1.87 0.00 -0.72 0.00 -0.50 -4.91 120.51 114.74 1rgn n ALA 244 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1rgn n ALA 244 Cb 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1rgn n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rgn n ALA 245 N -2.47 0.00 0.02 0.00 0.00 -1.25 -0.76 120.51 116.05 1rgn n ALA 245 Ca -0.14 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.46 1rgn n ALA 245 Cb 0.90 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.64 1rgn n ALA 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rgn h PRO 246 N 0.00 0.00 0.06 0.00 0.11 -1.91 -2.98 132.00 127.28 1rgn h PRO 246 Ca 0.00 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.79 1rgn h PRO 246 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1rgn h PRO 246 CO 0.00 0.00 -1.78 1.63 -0.21 0.00 0.00 178.00 177.64 1rgn n LYS 247 N -2.96 0.67 -1.44 1.05 5.02 0.06 -4.90 118.16 115.66 1rgn n LYS 247 Ca 0.13 0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 56.38 1rgn n LYS 247 Cb 1.26 -1.70 0.01 0.00 -0.02 0.00 0.00 35.03 34.58 1rgn n LYS 247 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1rgn n ARG 248 N -3.88 0.51 -3.15 1.97 0.63 -1.13 -4.34 116.66 107.28 1rgn n ARG 248 Ca -0.34 0.19 0.05 0.00 -0.92 0.00 0.00 57.85 56.83 1rgn n ARG 248 Cb 0.90 -1.47 -0.01 0.00 0.45 0.00 0.00 32.46 32.33 1rgn n ARG 248 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1rgn s LYS 249 N -1.56 0.24 0.00 -0.14 -2.85 -1.25 -4.97 119.74 109.21 1rgn s LYS 249 Ca 0.63 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.92 1rgn s LYS 249 Cb -0.59 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.34 1rgn s LYS 249 CO 0.58 -0.38 0.00 -1.13 0.10 0.00 0.00 175.35 174.52