#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piv s LEU 2 N 0.00 4.42 -0.30 0.99 2.96 -1.26 -4.94 118.68 120.56 1piv s LEU 2 Ca 0.00 2.65 -0.28 0.00 -0.22 0.00 0.00 54.13 56.28 1piv s LEU 2 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1piv s LEU 2 CO 0.00 -1.03 2.10 -2.84 -1.32 0.00 0.00 176.35 173.26 1piv s PRO 3 N 4.15 3.04 0.23 0.98 0.02 -1.26 -4.99 135.00 137.17 1piv s PRO 3 Ca 0.86 1.72 0.10 0.00 0.02 0.00 0.00 61.00 63.70 1piv s PRO 3 Cb -0.42 -4.35 -0.05 0.00 0.02 0.00 0.00 34.50 29.70 1piv s PRO 3 CO 0.40 -2.20 -0.13 0.14 -0.33 0.00 0.00 177.00 174.87 1piv s VAL 4 N 8.40 2.87 -0.08 3.83 -7.23 -1.26 -5.13 120.40 121.79 1piv s VAL 4 Ca 0.93 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1piv s VAL 4 Cb -0.27 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.23 1piv s VAL 4 CO 0.33 -0.26 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.62 1piv s LEU 5 N -3.20 0.78 -0.04 1.32 0.20 -1.26 -5.11 118.68 111.38 1piv s LEU 5 Ca 0.27 -0.15 -0.30 0.00 0.69 0.00 0.00 54.13 54.64 1piv s LEU 5 Cb -0.07 -0.57 -0.06 0.00 -0.43 0.00 0.00 46.19 45.07 1piv s LEU 5 CO 0.15 -0.17 1.60 0.20 -0.29 0.00 0.00 176.35 177.84 1piv s ASN 6 N 1.88 6.70 0.42 3.68 0.01 -1.26 -5.02 114.94 121.34 1piv s ASN 6 Ca 0.05 2.23 -0.06 0.00 -0.71 0.00 0.00 52.86 54.37 1piv s ASN 6 Cb -0.12 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 1piv s ASN 6 CO -0.06 -0.89 0.73 0.42 -1.51 0.00 0.00 177.10 175.79 1piv s THR 7 N 3.61 4.92 0.39 1.60 -4.23 -1.26 -5.01 115.64 115.67 1piv s THR 7 Ca 0.71 0.20 -0.23 0.00 -1.18 0.00 0.00 61.69 61.19 1piv s THR 7 Cb -0.33 -3.82 -0.13 0.00 1.34 0.00 0.00 72.50 69.56 1piv s THR 7 CO 0.29 -0.68 0.64 -2.65 -0.54 0.00 0.00 174.62 171.68 1piv n PRO 8 N -1.82 0.69 0.00 3.99 -0.02 -1.26 -2.01 135.00 134.57 1piv n PRO 8 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1piv n PRO 8 Cb 0.55 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1piv n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1piv n GLY 9 N 1.68 3.24 3.63 -1.23 0.00 -1.26 -5.05 105.19 106.20 1piv n GLY 9 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 1piv n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1piv n SER 10 N 0.00 2.35 -0.40 1.61 7.64 -0.85 -2.14 113.62 121.84 1piv n SER 10 Ca 0.00 1.10 -0.05 0.00 1.01 0.00 0.00 58.87 60.93 1piv n SER 10 Cb 0.00 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.88 1piv n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1piv n ASN 11 N 3.11 -4.73 -4.91 6.43 3.02 -1.26 -5.02 115.26 111.90 1piv n ASN 11 Ca 0.18 0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.58 1piv n ASN 11 Cb 0.23 -2.68 0.03 0.00 -0.61 0.00 0.00 39.78 36.75 1piv n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1piv s GLN 12 N -1.97 3.05 -0.30 3.52 -2.07 -0.91 -5.07 119.66 115.90 1piv s GLN 12 Ca 0.00 0.17 0.03 0.00 -1.82 0.00 0.00 55.36 53.74 1piv s GLN 12 Cb 0.00 -2.23 0.08 0.00 -1.09 0.00 0.00 33.01 29.78 1piv s GLN 12 CO 0.00 -0.68 -0.01 -0.47 -1.32 0.00 0.00 175.29 172.81 1piv s TYR 13 N -3.04 3.40 -0.32 9.60 5.04 -1.26 -5.09 117.35 125.69 1piv s TYR 13 Ca 0.54 -2.62 -0.19 0.00 -2.44 0.00 0.00 57.07 52.35 1piv s TYR 13 Cb -0.11 -2.43 -0.01 0.00 0.35 0.00 0.00 41.96 39.77 1piv s TYR 13 CO 0.47 -0.91 0.57 -1.17 -1.34 0.00 0.00 175.55 173.17 1piv s LEU 14 N 1.04 4.21 0.32 6.97 2.96 -1.26 -4.96 118.68 127.95 1piv s LEU 14 Ca 0.03 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 1piv s LEU 14 Cb -0.19 -2.71 0.81 0.00 0.50 0.00 0.00 46.19 44.60 1piv s LEU 14 CO -0.08 -0.46 1.77 0.74 -1.32 0.00 0.00 176.35 177.00 1piv h THR 15 N 5.56 0.66 0.00 3.68 2.02 -2.08 -1.13 112.91 121.62 1piv h THR 15 Ca -0.27 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1piv h THR 15 Cb 1.12 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1piv h THR 15 CO 0.78 0.13 0.00 -1.20 0.37 0.00 0.00 175.52 175.60 1piv n SER 16 N -4.76 0.00 -4.81 4.18 7.64 -1.26 -4.97 113.62 109.64 1piv n SER 16 Ca 0.24 -0.70 -0.30 0.00 1.01 0.00 0.00 58.87 59.12 1piv n SER 16 Cb 0.63 -0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.89 1piv n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1piv s ASP 17 N -2.06 4.64 -0.54 6.43 -4.77 -0.43 -5.04 116.67 114.90 1piv s ASP 17 Ca 0.36 1.29 0.04 0.00 -3.30 0.00 0.00 52.55 50.94 1piv s ASP 17 Cb 0.17 -2.04 0.16 0.00 -1.09 0.00 0.00 42.92 40.12 1piv s ASP 17 CO 0.29 -1.88 0.39 0.21 0.70 0.00 0.00 175.17 174.89 1piv s ASN 18 N -3.96 3.21 0.16 2.11 2.47 -1.26 -5.09 114.94 112.58 1piv s ASN 18 Ca 0.60 -3.33 0.07 0.00 0.42 0.00 0.00 52.86 50.62 1piv s ASN 18 Cb -0.14 -1.03 -0.04 0.00 -1.45 0.00 0.00 41.25 38.58 1piv s ASN 18 CO 0.54 -0.15 -0.14 -1.00 -3.72 0.00 0.00 177.10 172.63 1piv s HIS 19 N -0.54 1.56 0.57 0.43 3.76 -1.26 -5.14 115.29 114.67 1piv s HIS 19 Ca 0.27 -0.58 -0.18 0.00 -0.15 0.00 0.00 55.06 54.42 1piv s HIS 19 Cb -0.04 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.83 1piv s HIS 19 CO -0.15 0.24 1.12 -0.65 -0.85 0.00 0.00 174.74 174.45 1piv s GLN 20 N -3.22 3.25 0.02 1.40 -0.21 -1.26 -5.08 119.66 114.56 1piv s GLN 20 Ca 0.16 1.53 -0.19 0.00 0.02 0.00 0.00 55.36 56.88 1piv s GLN 20 Cb -0.02 -2.00 0.04 0.00 1.00 0.00 0.00 33.01 32.03 1piv s GLN 20 CO 0.05 -0.92 0.43 -1.54 -2.12 0.00 0.00 175.29 171.19 1piv s SER 21 N -2.02 -0.31 0.28 5.90 1.04 -1.26 -5.15 113.70 112.19 1piv s SER 21 Ca 0.71 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.93 1piv s SER 21 Cb -0.22 0.42 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 1piv s SER 21 CO 0.30 -0.62 1.52 -2.16 0.98 0.00 0.00 173.24 173.26 1piv s PRO 22 N -2.13 4.18 -0.30 4.02 0.04 -1.26 -4.94 135.00 134.61 1piv s PRO 22 Ca -0.07 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1piv s PRO 22 Cb -0.02 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1piv s PRO 22 CO 0.00 -0.53 1.22 0.00 0.04 0.00 0.00 177.00 177.74 1piv h ALA 24 N 8.79 1.58 -3.31 0.00 0.00 -2.09 -3.35 119.26 120.88 1piv h ALA 24 Ca -0.24 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.89 1piv h ALA 24 Cb 1.09 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 1piv h ALA 24 CO 1.03 0.19 -0.63 0.42 0.00 0.00 0.00 179.25 180.26 1piv s ILE 25 N -4.52 2.51 0.71 0.00 1.01 -1.26 -5.11 121.20 114.54 1piv s ILE 25 Ca -0.04 -3.36 -0.15 0.00 0.00 0.00 0.00 60.65 57.10 1piv s ILE 25 Cb 0.15 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1piv s ILE 25 CO 0.66 -0.83 1.20 -2.16 0.00 0.00 0.00 174.94 173.81 1piv s PRO 26 N -0.36 2.29 -0.61 2.79 0.04 -1.26 -3.90 135.00 133.99 1piv s PRO 26 Ca 0.18 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1piv s PRO 26 Cb -0.24 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1piv s PRO 26 CO -0.02 -1.72 0.00 0.39 0.04 0.00 0.00 177.00 175.70 1piv n GLU 27 N -2.58 -1.53 -1.68 4.56 -0.58 -1.26 -4.91 120.64 112.66 1piv n GLU 27 Ca 0.13 0.34 -0.43 0.00 -0.42 0.00 0.00 57.16 56.78 1piv n GLU 27 Cb 0.50 -4.57 -0.03 0.00 -0.57 0.00 0.00 31.44 26.77 1piv n GLU 27 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1piv n PHE 28 N -1.81 2.53 -2.16 -0.32 7.35 -1.25 -4.93 117.46 116.86 1piv n PHE 28 Ca -0.06 -0.18 -0.36 0.00 -0.76 0.00 0.00 57.45 56.09 1piv n PHE 28 Cb 0.29 -2.74 -0.04 0.00 0.35 0.00 0.00 39.48 37.35 1piv n PHE 28 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1piv s ASP 29 N 3.36 5.47 0.14 -2.13 2.15 -1.26 -4.97 116.67 119.43 1piv s ASP 29 Ca 0.86 -0.19 -0.31 0.00 0.43 0.00 0.00 52.55 53.33 1piv s ASP 29 Cb -0.51 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.48 1piv s ASP 29 CO 0.41 -2.32 1.37 -0.69 -0.17 0.00 0.00 175.17 173.76 1piv s VAL 30 N 8.51 3.24 0.07 1.11 1.01 -1.26 -4.98 120.40 128.10 1piv s VAL 30 Ca 0.61 0.93 -0.32 0.00 0.00 0.00 0.00 61.98 63.21 1piv s VAL 30 Cb -0.09 -3.60 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1piv s VAL 30 CO 0.12 0.09 1.85 0.41 0.00 0.00 0.00 175.10 177.57 1piv n THR 31 N 3.50 0.46 -1.17 3.92 -1.04 -1.26 -4.97 114.28 113.73 1piv n THR 31 Ca 0.10 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.70 1piv n THR 31 Cb 0.42 -2.06 0.12 0.00 -1.82 0.00 0.00 70.33 66.99 1piv n THR 31 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1piv s PRO 32 N 3.20 1.76 0.69 -2.82 0.04 -1.26 -5.02 135.00 131.59 1piv s PRO 32 Ca 0.85 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 1piv s PRO 32 Cb -0.53 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1piv s PRO 32 CO 0.41 -2.10 1.09 -1.25 0.04 0.00 0.00 177.00 175.20 1piv s PRO 33 N -4.23 2.72 0.23 0.56 0.04 -1.26 -5.08 135.00 127.97 1piv s PRO 33 Ca 0.71 1.27 0.10 0.00 0.04 0.00 0.00 61.00 63.12 1piv s PRO 33 Cb -0.26 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1piv s PRO 33 CO 0.50 -1.30 -0.19 0.96 0.04 0.00 0.00 177.00 177.02 1piv s ILE 34 N -2.57 2.16 -1.03 0.56 -4.36 -1.26 -5.06 121.20 109.64 1piv s ILE 34 Ca 0.64 -2.21 -0.23 0.00 -0.26 0.00 0.00 60.65 58.59 1piv s ILE 34 Cb -0.18 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.41 1piv s ILE 34 CO 0.46 -0.39 1.67 -0.62 0.24 0.00 0.00 174.94 176.31 1piv s ASP 35 N -3.17 6.01 0.15 4.36 -1.08 -1.26 -4.97 116.67 116.71 1piv s ASP 35 Ca 0.24 -1.33 -0.30 0.00 -0.52 0.00 0.00 52.55 50.64 1piv s ASP 35 Cb -0.05 -2.57 -0.07 0.00 -1.46 0.00 0.00 42.92 38.78 1piv s ASP 35 CO 0.11 -1.97 1.02 -0.63 0.52 0.00 0.00 175.17 174.22 1piv s ILE 36 N 6.91 4.19 0.83 4.11 1.01 -1.26 -5.06 121.20 131.93 1piv s ILE 36 Ca 0.56 1.87 -0.10 0.00 0.00 0.00 0.00 60.65 62.98 1piv s ILE 36 Cb -0.02 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 38.35 1piv s ILE 36 CO -0.04 0.31 1.11 -2.16 0.00 0.00 0.00 174.94 174.17 1piv s PRO 37 N -0.25 1.73 -0.23 2.79 0.04 -1.26 -4.28 135.00 133.54 1piv s PRO 37 Ca 0.48 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1piv s PRO 37 Cb -0.26 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1piv s PRO 37 CO 0.32 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1piv n GLY 38 N -0.64 0.43 3.75 0.56 0.00 -1.26 -5.02 105.19 103.01 1piv n GLY 38 Ca 0.10 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1piv n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1piv s GLU 39 N -3.05 4.34 -0.17 1.61 2.12 -1.26 -5.03 118.70 117.26 1piv s GLU 39 Ca 0.00 2.17 -0.04 0.00 0.36 0.00 0.00 54.97 57.46 1piv s GLU 39 Cb 0.00 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1piv s GLU 39 CO 0.00 -0.29 -0.03 0.08 -0.54 0.00 0.00 175.26 174.48 1piv s VAL 40 N -0.23 3.89 -0.26 3.70 1.01 -1.26 -5.00 120.40 122.24 1piv s VAL 40 Ca 0.56 -0.35 0.22 0.00 0.00 0.00 0.00 61.98 62.40 1piv s VAL 40 Cb -0.39 -2.72 -0.29 0.00 0.00 0.00 0.00 36.38 32.98 1piv s VAL 40 CO 0.43 0.47 0.63 0.29 0.00 0.00 0.00 175.10 176.92 1piv n LYS 41 N 3.78 0.51 -3.69 2.72 4.76 -1.26 -5.00 118.16 119.97 1piv n LYS 41 Ca -0.17 -0.13 -0.11 0.00 -2.87 0.00 0.00 58.31 55.02 1piv n LYS 41 Cb 0.52 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1piv n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1piv s ASN 42 N -4.24 -0.57 0.48 4.39 3.84 -1.26 -5.05 114.94 112.53 1piv s ASN 42 Ca -0.04 1.02 0.22 0.00 0.21 0.00 0.00 52.86 54.28 1piv s ASN 42 Cb 0.14 0.96 1.26 0.00 -0.55 0.00 0.00 41.25 43.06 1piv s ASN 42 CO 0.89 -0.19 1.93 0.24 -2.79 0.00 0.00 177.10 177.18 1piv h MET 43 N 6.32 0.19 0.00 0.43 2.86 -2.03 -2.01 114.93 120.69 1piv h MET 43 Ca -0.32 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 1piv h MET 43 Cb 1.19 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1piv h MET 43 CO 0.23 0.12 -0.06 0.52 1.06 0.00 0.00 176.91 178.79 1piv h MET 44 N 0.19 0.00 -0.77 1.72 2.86 -1.97 -1.73 114.93 115.24 1piv h MET 44 Ca 0.36 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 58.12 1piv h MET 44 Cb 1.12 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 1piv h MET 44 CO -0.07 0.06 0.51 0.93 1.06 0.00 0.00 176.91 179.40 1piv h GLU 45 N 0.00 0.56 -0.15 1.72 5.08 -1.80 -1.16 114.58 118.84 1piv h GLU 45 Ca -0.00 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1piv h GLU 45 Cb 0.15 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1piv h GLU 45 CO 0.01 0.37 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.55 1piv h LEU 46 N 0.58 0.91 -1.30 1.33 3.38 -1.49 -3.01 115.31 115.72 1piv h LEU 46 Ca 0.37 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1piv h LEU 46 Cb 0.63 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1piv h LEU 46 CO -0.14 1.39 0.00 0.00 0.09 0.00 0.00 178.44 179.79 1piv h ALA 47 N 0.59 1.00 -0.00 1.53 0.00 -1.22 -2.38 119.26 118.78 1piv h ALA 47 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1piv h ALA 47 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1piv h ALA 47 CO 0.16 0.00 -0.15 0.39 0.00 0.00 0.00 179.25 179.64 1piv n GLU 48 N -2.63 0.29 -2.92 0.00 1.02 -0.68 -0.76 120.64 114.97 1piv n GLU 48 Ca 0.01 -0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 1piv n GLU 48 Cb 0.22 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 1piv n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1piv s ILE 49 N -2.77 4.95 -0.09 -3.67 1.01 -0.90 -4.58 121.20 115.15 1piv s ILE 49 Ca 0.20 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 1piv s ILE 49 Cb 0.19 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 1piv s ILE 49 CO 0.54 0.14 2.01 -1.81 0.00 0.00 0.00 174.94 175.82 1piv s ASP 50 N 0.99 6.09 0.18 3.58 1.01 -1.26 -4.63 116.67 122.62 1piv s ASP 50 Ca 0.41 2.26 0.09 0.00 0.71 0.00 0.00 52.55 56.02 1piv s ASP 50 Cb -0.18 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1piv s ASP 50 CO 0.18 -1.40 -0.12 0.42 0.21 0.00 0.00 175.17 174.46 1piv s THR 51 N 5.91 3.08 -0.13 -1.27 -4.23 -1.09 -4.90 115.64 113.01 1piv s THR 51 Ca 0.90 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1piv s THR 51 Cb -0.37 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1piv s THR 51 CO 0.38 -0.09 1.21 -0.32 -0.54 0.00 0.00 174.62 175.25 1piv s MET 52 N -2.76 4.29 -0.00 3.99 1.75 -1.26 -1.69 119.30 123.62 1piv s MET 52 Ca 0.24 1.63 -0.30 0.00 -1.25 0.00 0.00 55.69 56.01 1piv s MET 52 Cb -0.09 -3.67 -0.06 0.00 2.84 0.00 0.00 34.83 33.86 1piv s MET 52 CO 0.14 -0.58 1.46 0.42 -0.65 0.00 0.00 175.02 175.80 1piv s ILE 53 N 2.92 3.63 -0.80 10.11 1.01 0.73 -4.87 121.20 133.93 1piv s ILE 53 Ca 0.54 0.99 -0.16 0.00 0.00 0.00 0.00 60.65 62.02 1piv s ILE 53 Cb -0.22 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.49 1piv s ILE 53 CO 0.17 -0.01 1.97 -0.81 0.00 0.00 0.00 174.94 176.25 1piv n PRO 54 N 5.63 1.66 0.27 2.79 -0.04 -1.25 -4.57 135.00 139.50 1piv n PRO 54 Ca 0.14 -1.68 0.13 0.00 -0.04 0.00 0.00 63.50 62.05 1piv n PRO 54 Cb 0.43 -2.74 0.78 0.00 -0.04 0.00 0.00 33.50 31.94 1piv n PRO 54 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1piv h LEU 55 N 11.85 0.00 -7.39 1.53 3.38 -1.60 -3.37 115.31 119.71 1piv h LEU 55 Ca 0.44 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.69 1piv h LEU 55 Cb 0.48 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.89 1piv h LEU 55 CO 1.77 0.08 -0.07 0.21 0.09 0.00 0.00 178.44 180.52 1piv s ASN 56 N -6.19 6.05 -0.47 -0.43 3.84 0.41 -4.90 114.94 113.25 1piv s ASN 56 Ca -0.04 -3.57 0.01 0.00 0.21 0.00 0.00 52.86 49.47 1piv s ASN 56 Cb 0.14 -1.94 0.47 0.00 -0.55 0.00 0.00 41.25 39.37 1piv s ASN 56 CO 0.58 -0.23 1.91 0.18 -2.79 0.00 0.00 177.10 176.75 1piv n LEU 57 N 2.56 6.77 -4.77 3.21 4.77 -1.26 -3.86 117.00 124.42 1piv n LEU 57 Ca 0.20 -3.65 -0.35 0.00 -0.03 0.00 0.00 56.01 52.18 1piv n LEU 57 Cb 0.38 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1piv n LEU 57 CO 0.37 1.19 0.78 -1.61 -1.33 0.00 0.00 177.39 176.79 1piv s GLU 58 N -3.00 3.08 0.16 3.23 0.41 -1.26 -4.55 118.70 116.77 1piv s GLU 58 Ca 0.51 1.61 -0.07 0.00 -0.41 0.00 0.00 54.97 56.61 1piv s GLU 58 Cb 0.42 -1.97 0.23 0.00 -1.78 0.00 0.00 34.13 31.03 1piv s GLU 58 CO 0.04 -1.07 0.97 0.45 -0.49 0.00 0.00 175.26 175.16 1piv n SER 59 N -1.71 -0.29 -0.01 -0.19 2.88 -1.26 -0.21 113.62 112.82 1piv n SER 59 Ca 0.12 1.08 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 1piv n SER 59 Cb 0.51 -0.29 0.24 0.00 -0.75 0.00 0.00 64.21 63.91 1piv n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1piv n THR 60 N -4.98 0.00 -0.05 2.46 -2.24 -1.26 -4.31 114.28 103.90 1piv n THR 60 Ca 0.09 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1piv n THR 60 Cb 0.29 0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.68 1piv n THR 60 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1piv n LYS 61 N -1.45 0.66 -2.03 -0.78 4.76 0.70 -4.92 118.16 115.10 1piv n LYS 61 Ca 0.06 0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 1piv n LYS 61 Cb 0.34 -1.64 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 1piv n LYS 61 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1piv s ARG 62 N -2.72 3.63 -1.43 1.97 1.70 -0.66 -2.31 118.95 119.13 1piv s ARG 62 Ca -0.07 2.05 -0.10 0.00 -0.47 0.00 0.00 55.73 57.14 1piv s ARG 62 Cb 0.08 -2.47 0.04 0.00 -0.57 0.00 0.00 34.95 32.03 1piv s ARG 62 CO 0.83 -0.74 1.07 0.09 -1.08 0.00 0.00 175.30 175.47 1piv n ASN 63 N -0.46 -5.23 -3.83 -2.89 3.02 -1.26 -4.97 115.26 99.63 1piv n ASN 63 Ca 0.07 -0.66 -0.10 0.00 -0.03 0.00 0.00 54.58 53.86 1piv n ASN 63 Cb 0.46 -4.49 -0.08 0.00 -0.61 0.00 0.00 39.78 35.05 1piv n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1piv s THR 64 N -3.33 0.11 0.39 3.41 2.01 -1.16 -5.05 115.64 112.03 1piv s THR 64 Ca 0.56 -0.92 0.13 0.00 0.31 0.00 0.00 61.69 61.78 1piv s THR 64 Cb -0.27 -1.01 0.35 0.00 0.01 0.00 0.00 72.50 71.59 1piv s THR 64 CO 0.78 -0.51 1.87 0.24 -0.69 0.00 0.00 174.62 176.31 1piv h MET 65 N 3.26 0.52 -0.01 4.92 2.86 -1.94 -2.00 114.93 122.53 1piv h MET 65 Ca -0.32 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1piv h MET 65 Cb 1.20 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1piv h MET 65 CO 0.49 0.34 0.02 -0.44 1.06 0.00 0.00 176.91 178.39 1piv h ASP 66 N 0.53 0.00 -0.04 1.22 3.32 -1.95 -2.33 116.42 117.17 1piv h ASP 66 Ca 0.45 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.51 1piv h ASP 66 Cb 0.94 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1piv h ASP 66 CO -0.19 0.00 0.17 0.00 -1.72 0.00 0.00 179.24 177.50 1piv h MET 67 N 0.00 0.00 0.00 3.56 -0.00 -0.93 0.27 114.93 117.83 1piv h MET 67 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1piv h MET 67 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 1piv h MET 67 CO -0.00 0.00 -0.50 0.66 -0.00 0.00 0.00 176.91 177.07 1piv n TYR 68 N -3.17 0.04 -3.69 -0.10 4.01 -0.88 -0.45 117.16 112.92 1piv n TYR 68 Ca -0.02 0.01 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1piv n TYR 68 Cb 0.24 -0.29 -0.12 0.00 -0.31 0.00 0.00 39.34 38.86 1piv n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1piv s ARG 69 N -3.01 3.07 -0.17 -0.72 0.52 0.08 -4.43 118.95 114.28 1piv s ARG 69 Ca 0.11 -0.89 -0.15 0.00 -0.52 0.00 0.00 55.73 54.28 1piv s ARG 69 Cb 0.17 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 1piv s ARG 69 CO 0.70 -0.51 0.34 0.08 0.02 0.00 0.00 175.30 175.93 1piv s VAL 70 N 1.54 5.26 -0.19 3.52 1.01 -0.50 -4.77 120.40 126.27 1piv s VAL 70 Ca 0.03 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 1piv s VAL 70 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1piv s VAL 70 CO 0.04 0.34 0.74 -0.89 0.00 0.00 0.00 175.10 175.33 1piv s THR 71 N 0.79 4.94 0.08 3.92 2.01 -1.26 -0.51 115.64 125.60 1piv s THR 71 Ca 0.18 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.62 1piv s THR 71 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1piv s THR 71 CO 0.06 0.05 0.11 -0.76 -0.69 0.00 0.00 174.62 173.39 1piv s LEU 72 N 2.13 3.93 0.04 4.42 1.43 0.38 -4.96 118.68 126.04 1piv s LEU 72 Ca 0.33 0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 1piv s LEU 72 Cb -0.16 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.52 1piv s LEU 72 CO 0.11 0.17 0.46 -0.94 0.23 0.00 0.00 176.35 176.38 1piv s SER 73 N -2.44 -0.36 0.00 2.29 1.04 -1.26 -1.09 113.70 111.88 1piv s SER 73 Ca 0.31 0.11 0.17 0.00 0.48 0.00 0.00 55.95 57.02 1piv s SER 73 Cb -0.12 0.45 0.97 0.00 0.10 0.00 0.00 66.02 67.42 1piv s SER 73 CO 0.23 -0.67 1.41 -0.90 0.98 0.00 0.00 173.24 174.30 1piv n ASP 74 N 0.53 0.00 -0.08 7.02 5.75 -0.37 -2.76 116.55 126.64 1piv n ASP 74 Ca -0.19 -0.43 0.04 0.00 -0.01 0.00 0.00 54.79 54.20 1piv n ASP 74 Cb 0.60 -0.05 0.05 0.00 -1.03 0.00 0.00 41.12 40.69 1piv n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1piv n SER 75 N -1.05 1.68 -4.76 -1.12 3.41 -1.26 -4.83 113.62 105.70 1piv n SER 75 Ca 0.12 -2.30 -0.36 0.00 -0.26 0.00 0.00 58.87 56.07 1piv n SER 75 Cb 0.07 -0.19 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1piv n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1piv s ALA 76 N -1.49 2.56 -0.57 7.33 0.00 -1.11 -4.93 121.76 123.55 1piv s ALA 76 Ca 0.12 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 1piv s ALA 76 Cb 0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1piv s ALA 76 CO 0.01 -1.13 1.98 0.34 0.00 0.00 0.00 175.76 176.96 1piv s ASP 77 N -1.60 5.12 0.40 0.00 2.15 -1.26 -4.86 116.67 116.62 1piv s ASP 77 Ca 0.77 0.55 0.26 0.00 0.43 0.00 0.00 52.55 54.56 1piv s ASP 77 Cb -0.30 -2.52 1.41 0.00 -0.30 0.00 0.00 42.92 41.21 1piv s ASP 77 CO 0.32 -2.46 1.79 -0.07 -0.17 0.00 0.00 175.17 174.59 1piv h LEU 78 N 16.99 0.00 -0.53 -1.34 3.38 -1.95 -1.04 115.31 130.82 1piv h LEU 78 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1piv h LEU 78 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1piv h LEU 78 CO 1.20 0.00 -0.34 0.77 0.09 0.00 0.00 178.44 180.15 1piv h SER 79 N 0.00 0.00 -3.77 -0.43 4.64 -1.95 -3.42 113.55 108.62 1piv h SER 79 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1piv h SER 79 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1piv h SER 79 CO 0.00 0.34 0.14 -1.10 -0.87 0.00 0.00 176.83 175.34 1piv s GLN 80 N -3.31 3.96 0.22 4.77 -1.52 -0.40 -4.67 119.66 118.71 1piv s GLN 80 Ca 0.02 0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 53.80 1piv s GLN 80 Cb 0.09 -2.38 -0.10 0.00 -0.22 0.00 0.00 33.01 30.39 1piv s GLN 80 CO 0.69 0.07 1.46 -1.25 -0.25 0.00 0.00 175.29 176.02 1piv s PRO 81 N -3.26 4.26 0.17 2.91 0.04 -1.26 -4.66 135.00 133.19 1piv s PRO 81 Ca 0.54 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.77 1piv s PRO 81 Cb -0.10 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1piv s PRO 81 CO 0.21 -0.46 1.65 0.82 0.04 0.00 0.00 177.00 179.26 1piv h ILE 82 N 3.71 1.26 -2.03 0.56 2.04 -0.63 -3.46 117.51 118.96 1piv h ILE 82 Ca -0.45 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 1piv h ILE 82 Cb 1.21 0.79 -0.19 0.00 -0.74 0.00 0.00 36.82 37.89 1piv h ILE 82 CO 0.82 0.37 0.22 -1.48 0.00 0.00 0.00 178.15 178.08 1piv s LEU 83 N -9.46 -0.63 -0.01 1.44 0.05 -1.24 -4.99 118.68 103.84 1piv s LEU 83 Ca -0.12 0.64 0.03 0.00 0.05 0.00 0.00 54.13 54.73 1piv s LEU 83 Cb 0.13 2.48 -0.01 0.00 -2.05 0.00 0.00 46.19 46.75 1piv s LEU 83 CO 0.83 -0.61 -0.10 0.00 -0.55 0.00 0.00 176.35 175.92 1piv s LEU 85 N -0.23 -0.08 0.21 0.00 0.20 0.28 -5.00 118.68 114.06 1piv s LEU 85 Ca 0.04 1.08 -0.30 0.00 0.69 0.00 0.00 54.13 55.63 1piv s LEU 85 Cb -0.04 1.87 -0.08 0.00 -0.43 0.00 0.00 46.19 47.51 1piv s LEU 85 CO -0.00 -0.20 0.95 -0.44 -0.29 0.00 0.00 176.35 176.37 1piv s SER 86 N 0.24 7.61 -1.31 3.68 0.01 -1.26 -0.39 113.70 122.28 1piv s SER 86 Ca -0.00 1.92 -0.18 0.00 1.31 0.00 0.00 55.95 59.00 1piv s SER 86 Cb -0.04 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.63 1piv s SER 86 CO 0.01 0.10 1.85 -0.11 0.41 0.00 0.00 173.24 175.50 1piv n LEU 87 N 1.77 5.09 -3.49 2.44 7.94 0.26 -4.72 117.00 126.28 1piv n LEU 87 Ca -0.01 -3.87 -0.27 0.00 -1.11 0.00 0.00 56.01 50.76 1piv n LEU 87 Cb 0.47 -1.72 -0.10 0.00 0.53 0.00 0.00 43.42 42.61 1piv n LEU 87 CO 0.50 0.13 -0.19 -1.20 -1.11 0.00 0.00 177.39 175.52 1piv n SER 88 N 8.52 1.14 -0.31 1.96 7.64 -1.26 -3.43 113.62 127.88 1piv n SER 88 Ca 0.49 -2.80 0.11 0.00 1.01 0.00 0.00 58.87 57.68 1piv n SER 88 Cb 0.45 -0.64 0.33 0.00 -1.01 0.00 0.00 64.21 63.34 1piv n SER 88 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1piv h PRO 89 N 5.03 0.77 0.00 1.43 0.10 -1.89 0.44 132.00 137.87 1piv h PRO 89 Ca 0.19 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 66.24 1piv h PRO 89 Cb 0.83 -0.17 0.00 0.00 0.10 0.00 0.00 31.00 31.75 1piv h PRO 89 CO 0.54 0.51 -0.61 0.00 0.10 0.00 0.00 178.00 178.54 1piv n ALA 90 N -2.39 2.91 -0.05 -0.75 0.00 -1.26 -3.13 120.51 115.84 1piv n ALA 90 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1piv n ALA 90 Cb 0.46 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1piv n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1piv n PHE 91 N -2.12 0.00 -1.67 0.00 7.35 -0.21 -4.44 117.46 116.37 1piv n PHE 91 Ca 0.03 0.00 -0.46 0.00 -0.76 0.00 0.00 57.45 56.26 1piv n PHE 91 Cb 0.44 -0.34 -0.04 0.00 0.35 0.00 0.00 39.48 39.89 1piv n PHE 91 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1piv n ASP 92 N -2.97 3.25 -0.24 -2.13 -0.08 -0.03 -4.66 116.55 109.70 1piv n ASP 92 Ca -0.17 1.05 0.19 0.00 -1.51 0.00 0.00 54.79 54.35 1piv n ASP 92 Cb 0.66 -1.42 0.51 0.00 2.34 0.00 0.00 41.12 43.20 1piv n ASP 92 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1piv h PRO 93 N 6.88 0.39 -0.05 -0.67 0.10 -1.95 0.20 132.00 136.90 1piv h PRO 93 Ca -0.46 -0.02 -0.14 0.00 0.10 0.00 0.00 66.00 65.47 1piv h PRO 93 Cb 1.25 -0.09 -0.01 0.00 0.10 0.00 0.00 31.00 32.25 1piv h PRO 93 CO 0.91 0.26 -0.62 0.00 0.10 0.00 0.00 178.00 178.65 1piv h ARG 94 N 0.41 0.19 0.07 1.05 3.08 -1.89 -3.36 114.38 113.93 1piv h ARG 94 Ca 0.46 -0.13 -0.37 0.00 0.07 0.00 0.00 59.98 60.01 1piv h ARG 94 Cb 1.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1piv h ARG 94 CO -0.17 0.75 -2.15 1.28 -1.07 0.00 0.00 179.97 178.61 1piv n LEU 95 N -3.85 2.51 0.16 3.04 4.77 0.47 -3.93 117.00 120.17 1piv n LEU 95 Ca -0.02 0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 1piv n LEU 95 Cb 0.63 -0.89 0.60 0.00 -2.33 0.00 0.00 43.42 41.42 1piv n LEU 95 CO 0.44 0.83 1.15 0.77 -1.33 0.00 0.00 177.39 179.25 1piv h SER 96 N 0.04 0.00 -0.11 -1.43 4.64 -0.86 -1.17 113.55 114.66 1piv h SER 96 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1piv h SER 96 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1piv h SER 96 CO 0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 1piv n HIS 97 N -3.17 0.13 -1.15 4.77 8.25 -1.26 -3.46 115.22 119.33 1piv n HIS 97 Ca 0.06 -0.12 -0.30 0.00 -0.26 0.00 0.00 57.72 57.10 1piv n HIS 97 Cb 0.76 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 32.00 1piv n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1piv s THR 98 N -1.06 2.70 0.35 1.59 -4.23 -0.44 -4.70 115.64 109.85 1piv s THR 98 Ca 0.18 0.23 0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1piv s THR 98 Cb 0.12 -2.66 0.31 0.00 1.34 0.00 0.00 72.50 71.61 1piv s THR 98 CO 0.17 -0.30 1.90 -0.03 -0.54 0.00 0.00 174.62 175.82 1piv h MET 99 N -1.55 0.73 0.32 3.99 1.85 -1.92 -0.14 114.93 118.21 1piv h MET 99 Ca -0.49 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.54 1piv h MET 99 Cb 1.28 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1piv h MET 99 CO 0.53 0.49 -0.16 1.25 -0.40 0.00 0.00 176.91 178.62 1piv h LEU 100 N 0.76 -0.37 -0.64 3.39 5.85 -1.84 -2.37 115.31 120.08 1piv h LEU 100 Ca 0.41 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.23 1piv h LEU 100 Cb 0.54 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1piv h LEU 100 CO -0.17 -0.27 0.27 1.23 -0.34 0.00 0.00 178.44 179.16 1piv h GLY 101 N -0.44 0.92 0.95 3.75 0.00 -1.49 -1.33 103.07 105.43 1piv h GLY 101 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1piv h GLY 101 CO 0.07 0.01 0.17 0.83 0.00 0.00 0.00 176.54 177.63 1piv h GLU 102 N 0.48 0.46 -0.20 4.80 4.39 -0.91 -0.81 114.58 122.80 1piv h GLU 102 Ca 0.32 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1piv h GLU 102 Cb 0.36 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1piv h GLU 102 CO -0.28 0.41 0.08 0.28 -1.16 0.00 0.00 179.01 178.33 1piv h VAL 103 N 0.40 1.16 -0.11 3.13 2.07 -1.19 -2.83 116.25 118.88 1piv h VAL 103 Ca 0.11 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1piv h VAL 103 Cb 0.08 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1piv h VAL 103 CO -0.02 0.15 0.08 -0.07 0.02 0.00 0.00 177.57 177.74 1piv h LEU 104 N 0.17 0.00 0.00 2.57 4.07 -1.08 -0.61 115.31 120.43 1piv h LEU 104 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1piv h LEU 104 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1piv h LEU 104 CO -0.01 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.94 1piv n ASN 105 N -4.40 0.00 -1.03 -0.43 3.02 -0.32 -1.55 115.26 110.54 1piv n ASN 105 Ca -0.00 -0.27 0.11 0.00 -0.03 0.00 0.00 54.58 54.40 1piv n ASN 105 Cb 0.20 -0.14 0.16 0.00 -0.61 0.00 0.00 39.78 39.38 1piv n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1piv n TYR 106 N -1.14 0.26 -4.29 3.10 4.01 -0.24 -3.87 117.16 114.99 1piv n TYR 106 Ca 0.11 -0.14 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1piv n TYR 106 Cb 0.10 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 1piv n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1piv s TYR 107 N -1.67 1.65 -0.06 -0.72 2.02 -0.60 -0.58 117.35 117.39 1piv s TYR 107 Ca 0.33 -0.49 0.14 0.00 -0.37 0.00 0.00 57.07 56.67 1piv s TYR 107 Cb 0.21 -0.85 -0.20 0.00 -0.40 0.00 0.00 41.96 40.71 1piv s TYR 107 CO 0.30 0.24 0.71 2.41 -1.57 0.00 0.00 175.55 177.64 1piv n THR 108 N 0.54 1.50 -4.78 -0.71 -1.04 0.13 -4.67 114.28 105.25 1piv n THR 108 Ca -0.15 -0.77 -0.26 0.00 -2.04 0.00 0.00 64.05 60.83 1piv n THR 108 Cb 0.56 -0.97 -0.16 0.00 -1.82 0.00 0.00 70.33 67.95 1piv n THR 108 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1piv s HIS 109 N -2.69 1.66 0.21 -1.42 3.76 -0.44 -1.08 115.29 115.31 1piv s HIS 109 Ca -0.04 -0.51 0.09 0.00 -0.15 0.00 0.00 55.06 54.45 1piv s HIS 109 Cb 0.08 -1.14 -0.05 0.00 1.11 0.00 0.00 32.58 32.59 1piv s HIS 109 CO 0.82 -0.20 -0.18 1.67 -0.85 0.00 0.00 174.74 176.00 1piv s TRP 110 N 0.18 1.95 -0.02 1.40 1.48 -0.09 -0.97 118.94 122.87 1piv s TRP 110 Ca -0.07 -0.46 -0.26 0.00 -1.06 0.00 0.00 56.10 54.26 1piv s TRP 110 Cb -0.12 -0.91 0.06 0.00 -1.16 0.00 0.00 33.47 31.33 1piv s TRP 110 CO 0.03 0.45 0.57 0.00 -4.06 0.00 0.00 176.95 173.94 1piv s ALA 111 N -2.43 -1.46 0.00 2.67 0.00 -0.28 -0.52 121.76 119.73 1piv s ALA 111 Ca 0.22 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1piv s ALA 111 Cb -0.04 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1piv s ALA 111 CO 0.09 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1piv n GLY 112 N 0.88 2.38 3.79 0.00 0.00 -1.26 -0.47 105.19 110.50 1piv n GLY 112 Ca -0.19 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 1piv n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1piv s SER 113 N 0.00 7.29 0.22 1.61 0.01 -1.26 -4.32 113.70 117.24 1piv s SER 113 Ca 0.00 1.57 0.09 0.00 1.31 0.00 0.00 55.95 58.92 1piv s SER 113 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1piv s SER 113 CO 0.00 0.17 -0.04 -0.76 0.41 0.00 0.00 173.24 173.02 1piv s LEU 114 N -1.35 3.13 -0.03 2.44 1.43 -0.65 -0.70 118.68 122.96 1piv s LEU 114 Ca 0.37 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1piv s LEU 114 Cb -0.21 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1piv s LEU 114 CO 0.24 0.06 0.00 -1.59 0.23 0.00 0.00 176.35 175.29 1piv s LYS 115 N -3.21 0.28 -0.24 1.70 -2.85 -0.02 0.71 119.74 116.10 1piv s LYS 115 Ca 0.28 0.08 -0.10 0.00 -1.00 0.00 0.00 55.97 55.24 1piv s LYS 115 Cb -0.08 -0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 35.18 1piv s LYS 115 CO 0.18 -0.14 0.14 -0.06 0.10 0.00 0.00 175.35 175.57 1piv s PHE 116 N 1.01 3.25 -0.19 1.78 0.40 0.01 -1.85 117.98 122.39 1piv s PHE 116 Ca -0.10 0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1piv s PHE 116 Cb -0.14 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1piv s PHE 116 CO -0.02 -0.04 -0.14 0.99 0.70 0.00 0.00 175.22 176.72 1piv s THR 117 N 1.19 2.66 -0.14 0.64 2.01 -0.24 -0.59 115.64 121.17 1piv s THR 117 Ca 0.06 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 1piv s THR 117 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1piv s THR 117 CO 0.05 0.49 0.05 -0.36 -0.69 0.00 0.00 174.62 174.17 1piv s PHE 118 N 1.21 3.29 -0.23 4.92 0.08 0.00 -0.03 117.98 127.22 1piv s PHE 118 Ca 0.02 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.22 1piv s PHE 118 Cb -0.14 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1piv s PHE 118 CO -0.06 0.38 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.26 1piv s LEU 119 N -0.35 3.11 -0.48 -0.37 2.96 0.19 -1.41 118.68 122.32 1piv s LEU 119 Ca 0.09 -0.36 -0.27 0.00 -0.22 0.00 0.00 54.13 53.36 1piv s LEU 119 Cb -0.12 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1piv s LEU 119 CO 0.02 -0.03 1.06 0.12 -1.32 0.00 0.00 176.35 176.19 1piv s PHE 120 N 1.52 2.83 -0.53 5.38 5.36 -0.99 -1.54 117.98 130.02 1piv s PHE 120 Ca 0.06 0.54 0.01 0.00 -0.96 0.00 0.00 56.93 56.57 1piv s PHE 120 Cb -0.15 -4.27 0.52 0.00 -0.34 0.00 0.00 43.02 38.79 1piv s PHE 120 CO -0.01 -1.24 1.95 0.00 -1.46 0.00 0.00 175.22 174.46 1piv n GLY 122 N -0.91 0.06 3.81 0.00 0.00 -1.26 -4.43 105.19 102.46 1piv n GLY 122 Ca 0.58 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 1piv n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1piv s SER 123 N -3.88 5.71 0.52 1.61 1.04 -1.26 -4.96 113.70 112.47 1piv s SER 123 Ca 0.46 1.72 0.26 0.00 0.48 0.00 0.00 55.95 58.87 1piv s SER 123 Cb -0.02 -2.52 1.41 0.00 0.10 0.00 0.00 66.02 64.99 1piv s SER 123 CO 0.31 -1.22 2.07 -0.03 0.98 0.00 0.00 173.24 175.35 1piv h MET 124 N 0.05 0.00 0.00 4.02 4.05 -1.99 -2.01 114.93 119.05 1piv h MET 124 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1piv h MET 124 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1piv h MET 124 CO 0.58 0.12 0.00 -1.33 0.23 0.00 0.00 176.91 176.51 1piv n MET 125 N -3.74 0.18 -3.12 0.39 2.81 -1.26 -4.79 117.12 107.59 1piv n MET 125 Ca -0.02 0.13 -0.39 0.00 -1.81 0.00 0.00 57.70 55.61 1piv n MET 125 Cb 0.23 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1piv n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1piv s ALA 126 N -2.70 3.39 0.38 3.04 0.00 -0.76 -4.39 121.76 120.72 1piv s ALA 126 Ca 0.15 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.26 1piv s ALA 126 Cb 0.12 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 1piv s ALA 126 CO 0.30 -0.03 -0.02 0.95 0.00 0.00 0.00 175.76 176.96 1piv s THR 127 N 0.56 2.14 0.00 0.00 -4.23 -0.50 -4.85 115.64 108.76 1piv s THR 127 Ca 0.34 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1piv s THR 127 Cb -0.17 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1piv s THR 127 CO 0.17 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1piv n GLY 128 N -0.92 2.63 3.23 3.99 0.00 -1.26 -1.08 105.19 111.78 1piv n GLY 128 Ca -0.05 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1piv n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1piv s LYS 129 N -2.00 3.12 -0.04 1.61 1.02 -1.26 -1.26 119.74 120.94 1piv s LYS 129 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.24 1piv s LYS 129 Cb 0.00 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1piv s LYS 129 CO 0.00 0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.70 1piv s ILE 130 N 0.71 2.60 -0.20 2.17 1.01 0.17 -0.14 121.20 127.52 1piv s ILE 130 Ca -0.09 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 1piv s ILE 130 Cb -0.16 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1piv s ILE 130 CO 0.01 0.58 0.05 -0.22 0.00 0.00 0.00 174.94 175.37 1piv s LEU 131 N -0.64 3.63 -0.04 2.97 0.20 0.36 0.38 118.68 125.54 1piv s LEU 131 Ca 0.10 -0.03 0.06 0.00 0.69 0.00 0.00 54.13 54.95 1piv s LEU 131 Cb -0.11 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1piv s LEU 131 CO 0.00 0.11 -0.24 0.54 -0.29 0.00 0.00 176.35 176.47 1piv s VAL 132 N 0.74 2.18 0.05 1.68 0.11 -0.40 -0.51 120.40 124.25 1piv s VAL 132 Ca 0.03 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1piv s VAL 132 Cb -0.14 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1piv s VAL 132 CO 0.02 0.57 -0.04 0.00 -3.33 0.00 0.00 175.10 172.32 1piv s ALA 133 N -0.37 0.53 -0.09 1.54 0.00 0.59 -0.85 121.76 123.11 1piv s ALA 133 Ca 0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1piv s ALA 133 Cb -0.12 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1piv s ALA 133 CO 0.02 -0.26 -0.03 -0.47 0.00 0.00 0.00 175.76 175.02 1piv s TYR 134 N -3.10 0.98 -0.33 0.00 5.04 0.11 -1.08 117.35 118.96 1piv s TYR 134 Ca 0.02 -0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.16 1piv s TYR 134 Cb 0.02 -0.97 0.01 0.00 0.35 0.00 0.00 41.96 41.37 1piv s TYR 134 CO -0.06 -0.40 0.15 0.00 -1.34 0.00 0.00 175.55 173.90 1piv s ALA 135 N 1.87 3.22 0.58 3.97 0.00 -0.05 -0.72 121.76 130.63 1piv s ALA 135 Ca 0.05 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 1piv s ALA 135 Cb -0.12 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1piv s ALA 135 CO -0.06 -1.09 0.98 -2.30 0.00 0.00 0.00 175.76 173.29 1piv n PRO 136 N 4.95 0.98 -0.59 0.00 -0.02 -1.26 -0.69 135.00 138.37 1piv n PRO 136 Ca -0.13 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 1piv n PRO 136 Cb 0.48 -2.16 0.23 0.00 -0.02 0.00 0.00 33.50 32.02 1piv n PRO 136 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1piv s PRO 137 N -2.66 -0.40 0.00 0.52 0.04 -1.26 -4.52 135.00 126.72 1piv s PRO 137 Ca 0.74 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1piv s PRO 137 Cb -0.43 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1piv s PRO 137 CO 0.48 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 174.50 1piv n GLY 138 N 0.63 2.12 1.05 0.56 0.00 -1.26 -5.02 105.19 103.26 1piv n GLY 138 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1piv n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piv n ALA 139 N -0.42 0.21 -2.04 4.61 0.00 -1.26 -5.09 120.51 116.52 1piv n ALA 139 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1piv n ALA 139 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 1piv n ALA 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1piv s GLN 140 N -2.60 4.22 0.04 0.00 0.74 -1.26 -4.97 119.66 115.83 1piv s GLN 140 Ca 0.07 2.17 -0.35 0.00 0.05 0.00 0.00 55.36 57.30 1piv s GLN 140 Cb -0.01 -3.72 -0.14 0.00 1.10 0.00 0.00 33.01 30.25 1piv s GLN 140 CO 0.04 -0.73 1.66 -2.30 -0.55 0.00 0.00 175.29 173.42 1piv n PRO 141 N 6.05 1.98 -1.68 1.67 -0.02 -1.26 -4.84 135.00 136.90 1piv n PRO 141 Ca 0.15 0.72 -0.46 0.00 -2.02 0.00 0.00 63.50 61.90 1piv n PRO 141 Cb 0.42 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1piv n PRO 141 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1piv n PRO 142 N 4.54 2.43 -0.00 0.52 -0.02 -1.26 -4.89 135.00 136.31 1piv n PRO 142 Ca 0.20 0.89 0.08 0.00 -2.02 0.00 0.00 63.50 62.65 1piv n PRO 142 Cb 0.27 -2.76 -0.11 0.00 -0.02 0.00 0.00 33.50 30.88 1piv n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1piv n THR 143 N 4.96 0.00 -4.31 3.45 -2.24 -1.26 -4.98 114.28 109.90 1piv n THR 143 Ca 0.21 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1piv n THR 143 Cb 0.33 0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 1piv n THR 143 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1piv s SER 144 N -3.23 1.60 0.35 3.42 1.04 -1.26 -4.64 113.70 110.99 1piv s SER 144 Ca 0.01 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.07 1piv s SER 144 Cb 0.12 -0.09 0.86 0.00 0.10 0.00 0.00 66.02 67.02 1piv s SER 144 CO 0.71 0.01 1.83 -0.09 0.98 0.00 0.00 173.24 176.68 1piv h ARG 145 N 4.84 0.62 -0.60 4.02 2.43 -1.94 -0.94 114.38 122.82 1piv h ARG 145 Ca -0.38 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 58.86 1piv h ARG 145 Cb 1.18 -0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.51 1piv h ARG 145 CO 0.43 0.41 0.11 -0.22 -1.51 0.00 0.00 179.97 179.20 1piv h LYS 146 N 0.64 0.23 -0.16 0.20 1.63 -1.98 0.22 116.57 117.36 1piv h LYS 146 Ca 0.51 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 60.12 1piv h LYS 146 Cb 0.93 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.51 1piv h LYS 146 CO -0.26 0.16 -0.57 0.93 -3.45 0.00 0.00 179.45 176.26 1piv h GLU 147 N 0.24 0.66 -0.50 1.90 5.08 -1.64 -3.29 114.58 117.03 1piv h GLU 147 Ca 0.31 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1piv h GLU 147 Cb 0.47 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1piv h GLU 147 CO -0.41 1.12 0.25 0.00 -1.00 0.00 0.00 179.01 178.97 1piv h ALA 148 N 0.54 1.49 -1.00 3.43 0.00 -0.58 -2.63 119.26 120.52 1piv h ALA 148 Ca -0.03 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 54.98 1piv h ALA 148 Cb 1.20 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 1piv h ALA 148 CO 0.12 0.41 0.61 0.00 0.00 0.00 0.00 179.25 180.39 1piv h MET 149 N 0.70 0.71 0.00 0.00 -0.00 -0.66 -2.65 114.93 113.03 1piv h MET 149 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 1piv h MET 149 Cb 0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.51 1piv h MET 149 CO -0.02 0.47 0.00 -0.07 -0.00 0.00 0.00 176.91 177.28 1piv h LEU 150 N 0.73 0.00 0.00 -0.10 3.38 -1.59 -3.44 115.31 114.28 1piv h LEU 150 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1piv h LEU 150 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1piv h LEU 150 CO -0.38 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.76 1piv n GLY 151 N -0.62 1.95 3.68 0.83 0.00 -1.00 -5.05 105.19 104.98 1piv n GLY 151 Ca -0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1piv n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1piv s THR 152 N 1.37 3.10 0.01 2.61 2.01 0.10 -4.85 115.64 120.00 1piv s THR 152 Ca 0.00 0.43 -0.22 0.00 0.31 0.00 0.00 61.69 62.22 1piv s THR 152 Cb 0.00 -3.28 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1piv s THR 152 CO 0.00 -0.01 0.49 -1.38 -0.69 0.00 0.00 174.62 173.03 1piv s HIS 153 N 3.13 -0.39 -0.13 4.92 -0.00 -1.26 0.04 115.29 121.60 1piv s HIS 153 Ca 0.76 0.53 0.03 0.00 -0.00 0.00 0.00 55.06 56.38 1piv s HIS 153 Cb -0.39 0.28 0.01 0.00 -0.00 0.00 0.00 32.58 32.47 1piv s HIS 153 CO 0.33 -0.57 -0.22 0.08 -0.00 0.00 0.00 174.74 174.37 1piv s VAL 154 N -1.91 2.13 -0.50 -5.38 1.01 -0.03 -4.99 120.40 110.73 1piv s VAL 154 Ca -0.08 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 1piv s VAL 154 Cb -0.02 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.59 1piv s VAL 154 CO 0.02 0.55 0.57 -0.63 0.00 0.00 0.00 175.10 175.61 1piv s ILE 155 N 0.65 4.97 -0.33 2.22 1.01 -1.26 -1.27 121.20 127.19 1piv s ILE 155 Ca -0.11 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 1piv s ILE 155 Cb -0.16 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.06 1piv s ILE 155 CO 0.02 -0.76 1.01 0.86 0.00 0.00 0.00 174.94 176.07 1piv s TRP 156 N 2.36 3.14 -0.28 3.97 -0.00 0.16 -4.94 118.94 123.35 1piv s TRP 156 Ca 0.12 1.07 -0.14 0.00 -0.00 0.00 0.00 56.10 57.14 1piv s TRP 156 Cb -0.21 -3.62 -0.04 0.00 -0.00 0.00 0.00 33.47 29.60 1piv s TRP 156 CO 0.10 -0.75 0.33 0.34 -0.00 0.00 0.00 176.95 176.97 1piv s ASP 157 N 1.69 6.19 0.44 5.86 2.15 -1.26 -0.65 116.67 131.09 1piv s ASP 157 Ca 0.42 0.15 -0.24 0.00 0.43 0.00 0.00 52.55 53.31 1piv s ASP 157 Cb -0.12 -2.19 -0.08 0.00 -0.30 0.00 0.00 42.92 40.23 1piv s ASP 157 CO 0.16 -0.18 1.24 -0.76 -0.17 0.00 0.00 175.17 175.45 1piv s LEU 158 N 2.00 4.10 0.00 -1.34 1.43 -0.39 -4.97 118.68 119.51 1piv s LEU 158 Ca 0.13 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1piv s LEU 158 Cb -0.16 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1piv s LEU 158 CO 0.10 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1piv n GLY 159 N 0.60 -0.65 0.36 -3.19 0.00 -1.26 -4.67 105.19 96.38 1piv n GLY 159 Ca 0.06 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.59 1piv n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1piv h LEU 160 N 0.00 0.99 -8.40 0.99 3.38 -1.98 -3.24 115.31 107.06 1piv h LEU 160 Ca 0.00 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 1piv h LEU 160 Cb 0.00 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 1piv h LEU 160 CO 0.00 0.62 1.04 -1.10 0.09 0.00 0.00 178.44 179.09 1piv s GLN 161 N -6.04 3.25 0.53 1.13 -1.52 -1.26 -4.87 119.66 110.89 1piv s GLN 161 Ca -0.12 -0.16 0.24 0.00 -1.95 0.00 0.00 55.36 53.36 1piv s GLN 161 Cb 0.20 -4.15 1.38 0.00 -0.22 0.00 0.00 33.01 30.22 1piv s GLN 161 CO 0.81 -2.06 2.03 0.66 -0.25 0.00 0.00 175.29 176.47 1piv h SER 162 N 9.94 0.00 -3.93 5.90 4.64 -1.95 -3.46 113.55 124.69 1piv h SER 162 Ca -0.27 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.37 1piv h SER 162 Cb 1.05 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.92 1piv h SER 162 CO 1.26 0.00 -0.87 -0.44 -0.87 0.00 0.00 176.83 175.92 1piv s SER 163 N -6.34 3.26 0.03 4.97 0.01 -1.26 -2.34 113.70 112.02 1piv s SER 163 Ca -0.05 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 56.53 1piv s SER 163 Cb 0.19 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1piv s SER 163 CO 0.71 0.17 -0.19 0.00 0.41 0.00 0.00 173.24 174.35 1piv s THR 165 N -0.71 2.48 -0.27 0.00 2.01 -1.26 -0.82 115.64 117.07 1piv s THR 165 Ca 0.06 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 1piv s THR 165 Cb -0.08 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1piv s THR 165 CO 0.01 0.51 0.15 -0.32 -0.69 0.00 0.00 174.62 174.28 1piv s MET 166 N 1.08 3.79 -0.17 4.92 1.75 0.24 -4.97 119.30 125.94 1piv s MET 166 Ca -0.00 -0.41 -0.23 0.00 -1.25 0.00 0.00 55.69 53.79 1piv s MET 166 Cb -0.14 -3.55 -0.02 0.00 2.84 0.00 0.00 34.83 33.95 1piv s MET 166 CO -0.05 -0.21 0.72 0.08 -0.65 0.00 0.00 175.02 174.91 1piv s VAL 167 N 1.70 4.97 -0.67 10.11 1.01 -1.26 -0.81 120.40 135.45 1piv s VAL 167 Ca 0.07 1.40 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 1piv s VAL 167 Cb -0.16 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.25 1piv s VAL 167 CO 0.08 0.10 1.03 -0.69 0.00 0.00 0.00 175.10 175.62 1piv s VAL 168 N 1.85 4.20 0.37 2.92 1.01 0.22 -4.98 120.40 125.99 1piv s VAL 168 Ca 0.34 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1piv s VAL 168 Cb -0.16 -4.72 -0.09 0.00 0.00 0.00 0.00 36.38 31.40 1piv s VAL 168 CO 0.12 -1.51 1.26 -2.16 0.00 0.00 0.00 175.10 172.81 1piv s PRO 169 N 4.40 4.18 -0.49 2.72 0.04 -1.26 -1.64 135.00 142.96 1piv s PRO 169 Ca 0.26 2.08 -0.26 0.00 0.04 0.00 0.00 61.00 63.11 1piv s PRO 169 Cb -0.15 -2.89 -0.07 0.00 0.04 0.00 0.00 34.50 31.44 1piv s PRO 169 CO 0.12 -0.29 2.37 -0.46 0.04 0.00 0.00 177.00 178.78 1piv s TRP 170 N -1.24 1.11 -0.31 0.56 -0.11 -1.26 -4.87 118.94 112.81 1piv s TRP 170 Ca 0.53 1.49 0.03 0.00 1.22 0.00 0.00 56.10 59.37 1piv s TRP 170 Cb -0.36 -3.62 0.09 0.00 -1.50 0.00 0.00 33.47 28.07 1piv s TRP 170 CO 0.47 -2.58 0.02 0.42 -4.62 0.00 0.00 176.95 170.67 1piv s ILE 171 N 11.90 1.99 0.12 5.86 1.01 -1.26 -4.99 121.20 135.84 1piv s ILE 171 Ca 0.96 -1.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1piv s ILE 171 Cb -0.17 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.91 1piv s ILE 171 CO 0.26 -0.47 0.28 -0.55 0.00 0.00 0.00 174.94 174.46 1piv s SER 172 N 1.08 0.00 -0.16 3.58 0.15 -1.26 -4.94 113.70 112.15 1piv s SER 172 Ca 0.06 -0.62 -0.26 0.00 0.70 0.00 0.00 55.95 55.83 1piv s SER 172 Cb -0.19 0.41 -0.24 0.00 -1.71 0.00 0.00 66.02 64.29 1piv s SER 172 CO -0.10 -0.81 0.59 -0.55 1.20 0.00 0.00 173.24 173.57 1piv h ASN 173 N 2.58 0.03 -4.19 5.45 -1.07 -1.95 -3.47 115.58 112.95 1piv h ASN 173 Ca -0.33 -0.84 -0.47 0.00 0.07 0.00 0.00 56.30 54.73 1piv h ASN 173 Cb 1.22 -0.01 0.02 0.00 -2.07 0.00 0.00 38.32 37.48 1piv h ASN 173 CO 0.51 1.19 0.38 0.68 0.07 0.00 0.00 177.43 180.26 1piv s VAL 174 N -2.28 4.53 0.18 6.14 -7.23 -1.26 -4.97 120.40 115.50 1piv s VAL 174 Ca -0.22 1.21 0.24 0.00 -1.81 0.00 0.00 61.98 61.41 1piv s VAL 174 Cb 0.00 -3.72 0.24 0.00 0.56 0.00 0.00 36.38 33.46 1piv s VAL 174 CO 0.67 -0.69 1.86 0.71 -0.31 0.00 0.00 175.10 177.33 1piv h THR 175 N 0.90 0.56 -3.27 5.32 1.35 -1.98 -3.42 112.91 112.38 1piv h THR 175 Ca -0.47 -1.05 -0.26 0.00 -0.55 0.00 0.00 66.41 64.09 1piv h THR 175 Cb 1.18 1.71 -0.32 0.00 -1.73 0.00 0.00 68.15 68.99 1piv h THR 175 CO 0.61 0.21 -0.62 -0.31 -0.25 0.00 0.00 175.52 175.17 1piv s TYR 176 N -3.72 -0.14 0.49 4.73 1.51 -1.26 -4.79 117.35 114.16 1piv s TYR 176 Ca 0.00 0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1piv s TYR 176 Cb 0.11 -0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 41.80 1piv s TYR 176 CO 0.63 -0.17 0.80 1.03 -1.11 0.00 0.00 175.55 176.73 1piv s ARG 177 N 1.28 3.54 0.36 -0.62 0.52 0.32 -4.86 118.95 119.49 1piv s ARG 177 Ca -0.08 0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 55.11 1piv s ARG 177 Cb -0.12 -2.36 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 1piv s ARG 177 CO -0.06 -0.22 0.98 -0.65 0.02 0.00 0.00 175.30 175.37 1piv s GLN 178 N -4.76 4.43 0.38 3.54 -0.21 -1.26 -0.91 119.66 120.86 1piv s GLN 178 Ca 0.48 1.36 0.19 0.00 0.02 0.00 0.00 55.36 57.40 1piv s GLN 178 Cb -0.10 -2.65 0.72 0.00 1.00 0.00 0.00 33.01 31.98 1piv s GLN 178 CO 0.45 0.12 1.76 1.79 -2.12 0.00 0.00 175.29 177.29 1piv h THR 179 N 2.41 0.88 -4.39 -0.19 1.35 -1.37 -3.44 112.91 108.16 1piv h THR 179 Ca -0.47 -1.45 -0.48 0.00 -0.55 0.00 0.00 66.41 63.45 1piv h THR 179 Cb 1.20 1.88 0.08 0.00 -1.73 0.00 0.00 68.15 69.58 1piv h THR 179 CO 0.64 0.35 0.38 0.42 -0.25 0.00 0.00 175.52 177.06 1piv s THR 180 N -3.67 3.15 0.03 6.82 -4.23 -1.26 -3.68 115.64 112.79 1piv s THR 180 Ca -0.00 0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 1piv s THR 180 Cb 0.11 -3.36 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 1piv s THR 180 CO 0.68 -0.46 1.47 -1.58 -0.54 0.00 0.00 174.62 174.20 1piv s GLN 181 N -5.36 4.26 -0.30 3.99 2.00 -1.26 -4.98 119.66 118.01 1piv s GLN 181 Ca 0.59 2.08 -0.07 0.00 -2.00 0.00 0.00 55.36 55.96 1piv s GLN 181 Cb -0.11 -3.55 0.17 0.00 0.80 0.00 0.00 33.01 30.32 1piv s GLN 181 CO 0.50 -0.61 0.75 0.34 -0.50 0.00 0.00 175.29 175.78 1piv s ASP 182 N 1.96 -1.04 0.41 6.67 2.15 -1.26 -5.05 116.67 120.51 1piv s ASP 182 Ca 0.67 0.88 0.21 0.00 0.43 0.00 0.00 52.55 54.74 1piv s ASP 182 Cb -0.34 1.97 1.18 0.00 -0.30 0.00 0.00 42.92 45.42 1piv s ASP 182 CO 0.28 -0.20 1.75 0.28 -0.17 0.00 0.00 175.17 177.12 1piv h SER 183 N 7.93 0.38 -0.30 -0.34 0.02 -1.98 -0.11 113.55 119.15 1piv h SER 183 Ca -0.19 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1piv h SER 183 Cb 1.15 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1piv h SER 183 CO 0.13 0.04 0.07 0.15 -1.14 0.00 0.00 176.83 176.08 1piv h PHE 184 N 0.32 0.59 -0.57 3.45 3.57 -2.00 -3.07 116.94 119.22 1piv h PHE 184 Ca 0.62 -0.04 -0.39 0.00 3.53 0.00 0.00 57.97 61.69 1piv h PHE 184 Cb 1.71 -0.18 -0.26 0.00 2.79 0.00 0.00 35.95 40.01 1piv h PHE 184 CO -0.00 0.53 -0.35 0.25 -2.23 0.00 0.00 178.31 176.50 1piv n THR 185 N -4.31 2.64 -2.30 4.41 -2.24 -0.11 -4.95 114.28 107.42 1piv n THR 185 Ca 0.02 -3.53 -0.37 0.00 -2.27 0.00 0.00 64.05 57.90 1piv n THR 185 Cb 0.21 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 1piv n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1piv s GLU 186 N -3.49 3.92 0.09 -0.78 -1.05 -0.84 -4.46 118.70 112.08 1piv s GLU 186 Ca 0.49 1.77 0.23 0.00 -0.15 0.00 0.00 54.97 57.31 1piv s GLU 186 Cb 0.42 -2.53 0.08 0.00 -0.44 0.00 0.00 34.13 31.66 1piv s GLU 186 CO 0.01 -0.42 1.06 0.41 0.95 0.00 0.00 175.26 177.27 1piv n GLY 187 N 0.50 -1.29 0.00 -3.83 0.00 -1.22 -4.78 105.19 94.58 1piv n GLY 187 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1piv n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1piv n GLY 188 N 1.32 -1.20 3.11 -0.02 0.00 -1.26 -4.28 105.19 102.86 1piv n GLY 188 Ca 0.01 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.67 1piv n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1piv s TYR 189 N 0.00 1.76 -0.14 1.61 2.02 0.13 -0.58 117.35 122.16 1piv s TYR 189 Ca 0.00 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1piv s TYR 189 Cb 0.00 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 1piv s TYR 189 CO 0.00 -0.24 0.00 0.42 -1.57 0.00 0.00 175.55 174.17 1piv s ILE 190 N 0.27 4.28 0.04 2.71 1.01 0.48 -0.87 121.20 129.12 1piv s ILE 190 Ca -0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1piv s ILE 190 Cb -0.14 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1piv s ILE 190 CO 0.04 0.53 0.13 -0.94 0.00 0.00 0.00 174.94 174.70 1piv s SER 191 N -0.12 0.13 -0.03 3.58 1.04 -0.24 -0.56 113.70 117.50 1piv s SER 191 Ca 0.04 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1piv s SER 191 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1piv s SER 191 CO 0.02 -0.53 -0.11 -0.32 0.98 0.00 0.00 173.24 173.27 1piv s MET 192 N -2.66 1.17 0.04 4.02 1.75 -0.24 -0.30 119.30 123.09 1piv s MET 192 Ca -0.04 -0.39 -0.00 0.00 -1.25 0.00 0.00 55.69 54.01 1piv s MET 192 Cb -0.01 -1.07 -0.03 0.00 2.84 0.00 0.00 34.83 36.56 1piv s MET 192 CO -0.05 0.15 -0.04 -0.06 -0.65 0.00 0.00 175.02 174.38 1piv s PHE 193 N 0.14 0.49 -0.25 4.11 0.40 0.34 0.19 117.98 123.39 1piv s PHE 193 Ca -0.03 -0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 55.17 1piv s PHE 193 Cb -0.09 -0.34 -0.00 0.00 0.51 0.00 0.00 43.02 43.10 1piv s PHE 193 CO 0.01 -0.27 1.24 0.71 0.70 0.00 0.00 175.22 177.60 1piv s TYR 194 N -2.91 2.86 0.05 0.36 2.02 -1.26 -0.48 117.35 117.98 1piv s TYR 194 Ca -0.01 1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 57.53 1piv s TYR 194 Cb 0.01 -3.69 -0.19 0.00 -0.40 0.00 0.00 41.96 37.69 1piv s TYR 194 CO -0.06 -1.48 1.21 0.37 -1.57 0.00 0.00 175.55 174.02 1piv h GLN 195 N 8.61 0.56 0.00 -0.62 5.75 -0.83 -3.46 115.11 125.12 1piv h GLN 195 Ca -0.25 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1piv h GLN 195 Cb 1.09 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1piv h GLN 195 CO 1.01 1.12 0.00 0.25 -2.65 0.00 0.00 178.83 178.56 1piv n THR 196 N -4.15 0.00 -3.60 2.39 -2.24 -0.89 -5.00 114.28 100.79 1piv n THR 196 Ca -0.09 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1piv n THR 196 Cb 0.67 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1piv n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1piv s ARG 197 N 1.21 0.69 -0.04 -0.78 1.70 -1.26 -4.92 118.95 115.55 1piv s ARG 197 Ca 0.00 -0.31 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 1piv s ARG 197 Cb 0.00 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1piv s ARG 197 CO 0.00 -0.31 1.39 0.42 -1.08 0.00 0.00 175.30 175.73 1piv s ILE 198 N -2.85 3.83 -0.14 4.99 -1.09 -1.26 -4.11 121.20 120.57 1piv s ILE 198 Ca 0.09 1.16 0.02 0.00 -2.23 0.00 0.00 60.65 59.69 1piv s ILE 198 Cb -0.00 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1piv s ILE 198 CO -0.05 -0.03 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.75 1piv s VAL 199 N 2.75 1.89 0.27 2.92 1.01 -0.24 -4.18 120.40 124.81 1piv s VAL 199 Ca 0.63 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1piv s VAL 199 Cb -0.30 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1piv s VAL 199 CO 0.25 0.52 -0.09 0.68 0.00 0.00 0.00 175.10 176.46 1piv s VAL 200 N 0.99 3.05 0.95 2.92 -7.23 -1.26 -1.41 120.40 118.41 1piv s VAL 200 Ca -0.04 -2.11 -0.15 0.00 -1.81 0.00 0.00 61.98 57.87 1piv s VAL 200 Cb -0.15 -2.62 0.20 0.00 0.56 0.00 0.00 36.38 34.37 1piv s VAL 200 CO -0.04 -0.38 1.31 -2.16 -0.31 0.00 0.00 175.10 173.51 1piv s PRO 201 N -3.59 0.67 0.91 4.82 0.04 -1.26 -5.06 135.00 131.52 1piv s PRO 201 Ca 0.31 -0.46 -0.11 0.00 0.04 0.00 0.00 61.00 60.77 1piv s PRO 201 Cb -0.06 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.75 1piv s PRO 201 CO 0.18 -2.38 1.09 -0.51 0.04 0.00 0.00 177.00 175.42 1piv s LEU 202 N -5.86 2.31 -1.50 -3.56 1.43 -1.26 -3.54 118.68 106.70 1piv s LEU 202 Ca 0.74 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1piv s LEU 202 Cb -0.04 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1piv s LEU 202 CO 0.53 -2.76 0.00 -1.20 0.23 0.00 0.00 176.35 173.14 1piv n SER 203 N -3.98 -5.53 -4.45 2.29 7.64 -1.26 -4.98 113.62 103.36 1piv n SER 203 Ca 0.08 0.35 -0.30 0.00 1.01 0.00 0.00 58.87 60.01 1piv n SER 203 Cb 0.54 -4.35 -0.12 0.00 -1.01 0.00 0.00 64.21 59.27 1piv n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1piv s THR 204 N -2.19 2.68 0.13 0.44 2.01 -1.23 -5.10 115.64 112.38 1piv s THR 204 Ca 0.00 -1.41 -0.32 0.00 0.31 0.00 0.00 61.69 60.27 1piv s THR 204 Cb 0.00 -2.17 -0.12 0.00 0.01 0.00 0.00 72.50 70.22 1piv s THR 204 CO 0.00 0.21 1.75 -2.65 -0.69 0.00 0.00 174.62 173.24 1piv n PRO 205 N 1.18 2.55 0.02 4.92 -0.02 -1.26 -4.92 135.00 137.47 1piv n PRO 205 Ca -0.16 0.92 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 1piv n PRO 205 Cb 0.52 -2.77 0.48 0.00 -0.02 0.00 0.00 33.50 31.72 1piv n PRO 205 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1piv n LYS 206 N 4.77 0.05 -4.52 -0.52 5.02 -1.26 -4.84 118.16 116.85 1piv n LYS 206 Ca 0.18 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.28 1piv n LYS 206 Cb 0.34 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.65 1piv n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1piv s SER 207 N -3.24 1.47 0.15 4.39 0.01 -1.26 -1.24 113.70 113.98 1piv s SER 207 Ca 0.12 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 56.98 1piv s SER 207 Cb 0.18 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.09 1piv s SER 207 CO 0.59 0.10 0.45 0.00 0.41 0.00 0.00 173.24 174.80 1piv s MET 208 N 0.06 1.19 0.20 12.44 0.23 -0.25 -5.00 119.30 128.18 1piv s MET 208 Ca -0.02 -0.75 -0.12 0.00 -1.03 0.00 0.00 55.69 53.77 1piv s MET 208 Cb -0.08 0.49 -0.07 0.00 -1.53 0.00 0.00 34.83 33.64 1piv s MET 208 CO 0.01 -0.48 0.56 -1.12 -2.03 0.00 0.00 175.02 171.95 1piv s SER 209 N -2.83 6.72 -0.08 -1.18 0.01 -1.26 -0.47 113.70 114.62 1piv s SER 209 Ca 0.05 1.01 0.04 0.00 1.31 0.00 0.00 55.95 58.36 1piv s SER 209 Cb 0.01 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1piv s SER 209 CO -0.09 -0.01 -0.20 -0.32 0.41 0.00 0.00 173.24 173.04 1piv s MET 210 N -2.46 2.79 -0.00 12.44 1.75 0.33 -1.13 119.30 133.02 1piv s MET 210 Ca 0.44 -0.81 0.02 0.00 -1.25 0.00 0.00 55.69 54.09 1piv s MET 210 Cb -0.13 -2.33 -0.04 0.00 2.84 0.00 0.00 34.83 35.18 1piv s MET 210 CO 0.20 0.37 -0.02 -0.51 -0.65 0.00 0.00 175.02 174.41 1piv s LEU 211 N -0.10 3.43 0.01 4.11 1.43 -0.59 -1.40 118.68 125.57 1piv s LEU 211 Ca -0.04 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1piv s LEU 211 Cb -0.14 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1piv s LEU 211 CO 0.04 0.28 -0.22 -0.83 0.23 0.00 0.00 176.35 175.85 1piv s GLY 212 N -1.50 1.43 0.07 -3.19 0.00 -1.26 -0.64 107.32 102.23 1piv s GLY 212 Ca 0.19 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 43.81 1piv s GLY 212 CO 0.09 -1.02 -0.18 -1.36 0.00 0.00 0.00 173.10 170.63 1piv s PHE 213 N -0.77 1.58 -0.00 1.90 0.40 0.95 -0.19 117.98 121.84 1piv s PHE 213 Ca 0.12 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1piv s PHE 213 Cb -0.10 -0.90 -0.00 0.00 0.51 0.00 0.00 43.02 42.52 1piv s PHE 213 CO 0.02 0.12 -0.06 0.54 0.70 0.00 0.00 175.22 176.54 1piv s VAL 214 N -1.03 0.44 0.22 -0.44 0.11 -0.68 -1.08 120.40 117.93 1piv s VAL 214 Ca 0.04 -0.25 -0.16 0.00 -2.93 0.00 0.00 61.98 58.69 1piv s VAL 214 Cb -0.09 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1piv s VAL 214 CO 0.03 0.12 0.51 -0.94 -3.33 0.00 0.00 175.10 171.48 1piv s SER 215 N -0.15 -0.17 -0.07 3.54 1.04 -0.77 -2.67 113.70 114.44 1piv s SER 215 Ca 0.02 -0.68 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 1piv s SER 215 Cb -0.02 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1piv s SER 215 CO -0.00 -1.10 0.72 0.00 0.98 0.00 0.00 173.24 173.84 1piv s ALA 216 N -3.93 3.34 0.74 5.32 0.00 0.06 -0.84 121.76 126.44 1piv s ALA 216 Ca 0.14 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1piv s ALA 216 Cb -0.01 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1piv s ALA 216 CO 0.02 -0.15 1.10 0.00 0.00 0.00 0.00 175.76 176.73 1piv n ASN 218 N -3.18 0.00 -0.74 0.00 2.04 -1.26 -1.69 115.26 110.43 1piv n ASN 218 Ca 0.09 0.22 0.12 0.00 -0.44 0.00 0.00 54.58 54.58 1piv n ASN 218 Cb 0.53 -0.22 0.33 0.00 -2.53 0.00 0.00 39.78 37.88 1piv n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1piv n ASP 219 N -1.18 2.26 -4.72 0.53 5.75 -1.26 -4.97 116.55 112.96 1piv n ASP 219 Ca 0.00 -1.77 -0.41 0.00 -0.01 0.00 0.00 54.79 52.60 1piv n ASP 219 Cb 0.05 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 1piv n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1piv s PHE 220 N -1.85 3.66 0.11 2.11 2.19 -0.68 -4.44 117.98 119.08 1piv s PHE 220 Ca 0.34 1.64 -0.06 0.00 0.33 0.00 0.00 56.93 59.18 1piv s PHE 220 Cb 0.20 -3.19 -0.02 0.00 -1.31 0.00 0.00 43.02 38.70 1piv s PHE 220 CO 0.30 -0.30 0.14 -1.54 1.83 0.00 0.00 175.22 175.65 1piv s SER 221 N 0.44 0.22 0.05 6.13 1.04 0.38 -4.98 113.70 116.98 1piv s SER 221 Ca 0.51 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1piv s SER 221 Cb -0.25 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1piv s SER 221 CO 0.30 -0.74 -0.11 0.68 0.98 0.00 0.00 173.24 174.35 1piv s VAL 222 N -3.93 0.87 0.24 5.02 -7.23 -1.26 -1.13 120.40 112.98 1piv s VAL 222 Ca 0.12 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.06 1piv s VAL 222 Cb 0.06 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1piv s VAL 222 CO -0.06 -0.26 0.34 0.00 -0.31 0.00 0.00 175.10 174.82 1piv s ARG 223 N -1.58 1.46 -0.34 4.82 1.70 -0.14 -5.01 118.95 119.86 1piv s ARG 223 Ca -0.05 -1.46 -0.04 0.00 -0.47 0.00 0.00 55.73 53.71 1piv s ARG 223 Cb -0.10 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1piv s ARG 223 CO 0.01 -0.56 0.16 -0.11 -1.08 0.00 0.00 175.30 173.72 1piv n LEU 224 N -0.36 -8.00 -4.76 -1.89 0.00 -1.26 -1.32 117.00 99.40 1piv n LEU 224 Ca 0.00 1.20 -0.41 0.00 0.00 0.00 0.00 56.01 56.80 1piv n LEU 224 Cb 0.63 -3.36 -0.02 0.00 0.00 0.00 0.00 43.42 40.67 1piv n LEU 224 CO 0.27 -3.00 1.08 -0.22 0.00 0.00 0.00 177.39 175.52 1piv s LEU 225 N -1.89 4.38 0.10 -1.96 2.96 -1.26 -0.70 118.68 120.31 1piv s LEU 225 Ca 0.07 2.82 -0.15 0.00 -0.22 0.00 0.00 54.13 56.65 1piv s LEU 225 Cb -0.02 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1piv s LEU 225 CO 0.78 -0.71 0.35 0.00 -1.32 0.00 0.00 176.35 175.45 1piv s ARG 226 N -1.40 0.99 0.33 1.98 1.70 0.26 -4.88 118.95 117.92 1piv s ARG 226 Ca 0.54 -0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 54.81 1piv s ARG 226 Cb -0.43 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.28 1piv s ARG 226 CO 0.53 -0.36 1.13 -0.51 -1.08 0.00 0.00 175.30 175.01 1piv s ASP 227 N -2.68 6.96 0.24 -2.89 1.01 -1.26 -4.37 116.67 113.68 1piv s ASP 227 Ca 0.02 2.30 -0.20 0.00 0.71 0.00 0.00 52.55 55.38 1piv s ASP 227 Cb 0.02 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 1piv s ASP 227 CO -0.10 -0.36 0.75 0.28 0.21 0.00 0.00 175.17 175.95 1piv s THR 228 N -1.29 4.54 -1.14 -1.27 -1.32 -1.25 -4.89 115.64 109.02 1piv s THR 228 Ca 0.50 1.32 0.25 0.00 -1.21 0.00 0.00 61.69 62.55 1piv s THR 228 Cb -0.31 -3.86 0.28 0.00 -1.51 0.00 0.00 72.50 67.10 1piv s THR 228 CO 0.40 0.17 1.80 0.35 -2.21 0.00 0.00 174.62 175.13 1piv n THR 229 N 0.63 0.28 1.92 5.08 -2.24 -1.26 -4.04 114.28 114.66 1piv n THR 229 Ca -0.01 0.07 0.14 0.00 -2.27 0.00 0.00 64.05 61.98 1piv n THR 229 Cb 0.51 -0.65 0.82 0.00 -2.10 0.00 0.00 70.33 68.90 1piv n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1piv n HIS 230 N -1.43 0.01 -3.95 4.78 8.25 -1.26 -4.78 115.22 116.84 1piv n HIS 230 Ca 0.08 -0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1piv n HIS 230 Cb 0.26 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 1piv n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1piv s ILE 231 N -1.99 0.09 0.35 1.59 1.10 -1.26 -5.18 121.20 115.89 1piv s ILE 231 Ca 0.43 -0.71 -0.11 0.00 -0.51 0.00 0.00 60.65 59.75 1piv s ILE 231 Cb 0.20 -0.22 0.03 0.00 0.15 0.00 0.00 42.46 42.62 1piv s ILE 231 CO 0.34 -0.39 0.64 -0.94 -2.11 0.00 0.00 174.94 172.47 1piv s SER 232 N -1.16 0.30 -0.19 4.50 1.04 -1.26 -4.95 113.70 111.98 1piv s SER 232 Ca -0.13 -1.20 -0.09 0.00 0.48 0.00 0.00 55.95 55.01 1piv s SER 232 Cb -0.08 0.74 0.07 0.00 0.10 0.00 0.00 66.02 66.85 1piv s SER 232 CO -0.01 -1.46 0.44 -1.58 0.98 0.00 0.00 173.24 171.61 1piv s GLN 233 N -2.91 0.40 0.64 4.02 0.74 -1.26 -5.17 119.66 116.12 1piv s GLN 233 Ca 0.21 0.88 -0.11 0.00 0.05 0.00 0.00 55.36 56.39 1piv s GLN 233 Cb -0.03 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.12 1piv s GLN 233 CO 0.14 -0.18 1.04 -1.12 -0.55 0.00 0.00 175.29 174.62 1piv s SER 234 N 1.68 5.94 0.00 6.67 0.01 -1.26 -5.35 113.70 121.39 1piv s SER 234 Ca -0.08 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1piv s SER 234 Cb -0.09 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1piv s SER 234 CO -0.13 -1.06 0.49 0.00 0.41 0.00 0.00 173.24 172.94