#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blr n ASN 2 N 0.00 0.00 0.00 3.54 3.02 -1.26 -4.51 115.26 116.05 1blr n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1blr n ASN 2 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1blr n ASN 2 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1blr n PHE 3 N 10.33 0.00 -1.52 3.10 3.01 -1.26 -4.96 117.46 126.16 1blr n PHE 3 Ca 0.00 0.00 -0.50 0.00 1.01 0.00 0.00 57.45 57.96 1blr n PHE 3 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1blr n PHE 3 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1blr n SER 4 N 2.53 2.47 0.00 4.37 3.41 -1.26 -4.70 113.62 120.44 1blr n SER 4 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1blr n SER 4 Cb 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 1blr n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1blr n GLY 5 N 5.92 3.80 3.81 5.00 0.00 -1.09 -4.99 105.19 117.64 1blr n GLY 5 Ca 0.36 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1blr n GLY 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1blr s ASN 6 N 0.00 6.73 -0.04 1.61 2.47 -1.26 -1.88 114.94 122.57 1blr s ASN 6 Ca 0.00 1.76 0.03 0.00 0.42 0.00 0.00 52.86 55.07 1blr s ASN 6 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1blr s ASN 6 CO 0.00 -0.51 -0.14 0.26 -3.72 0.00 0.00 177.10 172.99 1blr s TRP 7 N -2.14 1.40 0.31 0.43 0.52 -0.99 -2.13 118.94 116.33 1blr s TRP 7 Ca 0.63 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 56.35 1blr s TRP 7 Cb -0.11 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 1blr s TRP 7 CO 0.16 -0.15 0.53 0.15 0.02 0.00 0.00 176.95 177.67 1blr s LYS 8 N 0.13 3.53 0.27 4.98 3.01 -0.56 -3.20 119.74 127.91 1blr s LYS 8 Ca -0.04 -0.23 -0.29 0.00 -1.01 0.00 0.00 55.97 54.40 1blr s LYS 8 Cb -0.11 -2.68 -0.09 0.00 -1.01 0.00 0.00 37.83 33.94 1blr s LYS 8 CO 0.02 0.20 1.00 -1.50 0.51 0.00 0.00 175.35 175.58 1blr s ILE 9 N -2.19 3.86 -0.21 2.17 -1.16 -1.26 -2.81 121.20 119.61 1blr s ILE 9 Ca 0.41 1.80 -0.07 0.00 -0.51 0.00 0.00 60.65 62.29 1blr s ILE 9 Cb -0.10 -4.12 0.10 0.00 0.61 0.00 0.00 42.46 38.95 1blr s ILE 9 CO 0.33 0.37 0.43 -0.63 -2.81 0.00 0.00 174.94 172.64 1blr s ILE 10 N -1.26 -0.67 -0.09 2.00 1.09 -0.01 -4.88 121.20 117.38 1blr s ILE 10 Ca 0.44 0.13 -0.06 0.00 -1.10 0.00 0.00 60.65 60.07 1blr s ILE 10 Cb -0.27 -0.70 0.02 0.00 -1.06 0.00 0.00 42.46 40.45 1blr s ILE 10 CO 0.34 0.05 0.13 0.54 -0.10 0.00 0.00 174.94 175.89 1blr n ARG 11 N 5.39 -3.82 -3.97 2.79 3.00 -1.26 -0.57 116.66 118.22 1blr n ARG 11 Ca -0.08 2.94 -0.13 0.00 -0.01 0.00 0.00 57.85 60.57 1blr n ARG 11 Cb 0.49 -4.07 -0.14 0.00 0.00 0.00 0.00 32.46 28.74 1blr n ARG 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1blr s SER 12 N -0.50 0.21 0.00 0.55 0.01 -1.26 -1.93 113.70 110.77 1blr s SER 12 Ca -0.14 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1blr s SER 12 Cb 0.01 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1blr s SER 12 CO 0.39 0.02 0.00 1.21 0.41 0.00 0.00 173.24 175.27 1blr n GLU 13 N 3.03 0.00 0.00 12.44 2.13 -1.26 -5.05 120.64 131.93 1blr n GLU 13 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1blr n GLU 13 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1blr n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1blr n ASN 14 N 0.00 0.00 -0.35 4.31 3.02 -1.26 -4.77 115.26 116.21 1blr n ASN 14 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1blr n ASN 14 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1blr n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1blr h PHE 15 N 0.00 -1.21 -0.18 3.10 3.57 -1.86 0.36 116.94 120.73 1blr h PHE 15 Ca 0.00 0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 1blr h PHE 15 Cb 0.00 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1blr h PHE 15 CO 0.00 -0.40 -0.38 1.05 -2.23 0.00 0.00 178.31 176.35 1blr h GLU 16 N -0.04 0.39 0.00 1.11 4.11 -1.90 -1.33 114.58 116.92 1blr h GLU 16 Ca 0.29 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 1blr h GLU 16 Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1blr h GLU 16 CO -0.91 0.71 -0.01 1.49 0.07 0.00 0.00 179.01 180.36 1blr h GLU 17 N 0.33 0.00 -0.01 1.06 4.81 -0.75 0.45 114.58 120.47 1blr h GLU 17 Ca 0.03 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1blr h GLU 17 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1blr h GLU 17 CO 0.07 0.01 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.18 1blr h LEU 18 N 0.00 0.11 0.00 1.64 3.38 0.20 -1.74 115.31 118.90 1blr h LEU 18 Ca -0.00 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1blr h LEU 18 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1blr h LEU 18 CO 0.00 0.82 0.00 0.18 0.09 0.00 0.00 178.44 179.53 1blr n LEU 19 N -4.64 0.00 -0.00 1.67 7.99 -0.79 -1.80 117.00 119.42 1blr n LEU 19 Ca -0.09 0.31 0.04 0.00 -0.01 0.00 0.00 56.01 56.25 1blr n LEU 19 Cb 0.41 -0.31 -0.12 0.00 -0.11 0.00 0.00 43.42 43.29 1blr n LEU 19 CO 0.36 -0.01 -0.60 0.29 -1.51 0.00 0.00 177.39 175.92 1blr n LYS 20 N -1.31 0.65 -0.09 3.23 5.02 0.08 -2.77 118.16 122.97 1blr n LYS 20 Ca 0.13 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 1blr n LYS 20 Cb 0.24 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1blr n LYS 20 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1blr n VAL 21 N -2.60 1.46 0.31 -0.18 0.24 -0.66 -3.78 118.33 113.12 1blr n VAL 21 Ca -0.11 -0.77 0.20 0.00 -2.04 0.00 0.00 64.34 61.62 1blr n VAL 21 Cb 0.77 -0.83 1.03 0.00 -1.47 0.00 0.00 33.84 33.34 1blr n VAL 21 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1blr h LEU 22 N 0.00 0.00 0.00 1.34 8.10 -1.56 -3.45 115.31 119.75 1blr h LEU 22 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.47 1blr h LEU 22 Cb 2.12 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.34 1blr h LEU 22 CO 0.01 0.02 0.00 0.61 -4.11 0.00 0.00 178.44 174.96 1blr n GLY 23 N -0.90 0.55 3.43 0.17 0.00 -1.26 -5.08 105.19 102.11 1blr n GLY 23 Ca -0.02 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1blr n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1blr n VAL 24 N 0.00 1.81 0.00 1.61 3.14 -1.11 -4.93 118.33 118.84 1blr n VAL 24 Ca 0.00 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1blr n VAL 24 Cb 0.00 -0.63 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 1blr n VAL 24 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1blr n ASN 25 N 0.42 0.00 0.00 6.55 2.04 -1.26 -4.89 115.26 118.12 1blr n ASN 25 Ca 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.24 1blr n ASN 25 Cb 0.49 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.74 1blr n ASN 25 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1blr n VAL 26 N 0.00 0.00 0.30 3.53 0.31 -1.26 -4.89 118.33 116.32 1blr n VAL 26 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1blr n VAL 26 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1blr n VAL 26 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1blr h MET 27 N 2.56 -0.76 -6.17 5.55 2.86 -1.90 -3.45 114.93 113.62 1blr h MET 27 Ca 0.00 0.05 -0.39 0.00 -2.06 0.00 0.00 59.70 57.30 1blr h MET 27 Cb 0.00 0.17 0.08 0.00 0.06 0.00 0.00 31.60 31.91 1blr h MET 27 CO 0.00 -0.51 -0.87 1.28 1.06 0.00 0.00 176.91 177.88 1blr n LEU 28 N -4.57 -3.19 -2.15 1.22 7.99 -1.26 0.28 117.00 115.31 1blr n LEU 28 Ca -0.10 -0.92 -0.20 0.00 -0.01 0.00 0.00 56.01 54.78 1blr n LEU 28 Cb 0.31 -2.43 -0.03 0.00 -0.11 0.00 0.00 43.42 41.16 1blr n LEU 28 CO 0.24 0.31 -0.24 0.54 -1.51 0.00 0.00 177.39 176.72 1blr n ARG 29 N -3.79 -1.64 -2.51 3.23 3.00 -1.26 -2.28 116.66 111.41 1blr n ARG 29 Ca -0.10 1.06 -0.04 0.00 -0.01 0.00 0.00 57.85 58.76 1blr n ARG 29 Cb 0.59 -5.63 -0.01 0.00 0.00 0.00 0.00 32.46 27.41 1blr n ARG 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1blr n LYS 30 N -2.80 -2.64 0.00 5.56 5.02 0.14 -4.07 118.16 119.37 1blr n LYS 30 Ca -0.23 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1blr n LYS 30 Cb 0.68 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 1blr n LYS 30 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1blr n ILE 31 N -2.42 0.00 -0.57 -0.18 -0.00 -0.97 -2.65 119.36 112.58 1blr n ILE 31 Ca 0.01 0.00 0.46 0.00 -0.00 0.00 0.00 62.75 63.22 1blr n ILE 31 Cb 0.45 0.00 0.77 0.00 -0.00 0.00 0.00 39.64 40.86 1blr n ILE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1blr h ALA 32 N 0.00 3.44 -3.01 -1.39 0.00 -1.93 -3.38 119.26 112.98 1blr h ALA 32 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1blr h ALA 32 Cb 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1blr h ALA 32 CO 0.00 -1.98 -0.65 0.14 0.00 0.00 0.00 179.25 176.76 1blr s VAL 33 N -4.99 3.89 0.00 0.00 -7.23 -1.08 -4.96 120.40 106.03 1blr s VAL 33 Ca -0.06 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1blr s VAL 33 Cb 0.27 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1blr s VAL 33 CO 0.86 -0.04 0.00 0.00 -0.31 0.00 0.00 175.10 175.61 1blr n ALA 34 N 0.08 0.00 -2.70 1.32 0.00 -1.26 -4.49 120.51 113.45 1blr n ALA 34 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1blr n ALA 34 Cb 0.54 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.04 1blr n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1blr n ALA 35 N -1.35 -2.75 -2.12 0.00 0.00 -1.26 -4.69 120.51 108.34 1blr n ALA 35 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.73 1blr n ALA 35 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 16.95 1blr n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1blr n ALA 36 N 1.90 3.45 -4.07 0.00 0.00 -1.26 -5.13 120.51 115.40 1blr n ALA 36 Ca 0.07 -1.06 -0.12 0.00 0.00 0.00 0.00 53.44 52.33 1blr n ALA 36 Cb 0.66 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1blr n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1blr n SER 37 N 0.07 1.71 -3.15 0.00 3.41 -1.26 -5.13 113.62 109.27 1blr n SER 37 Ca -0.20 -1.91 -0.15 0.00 -0.26 0.00 0.00 58.87 56.35 1blr n SER 37 Cb 0.80 0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 65.01 1blr n SER 37 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1blr s LYS 38 N -2.69 0.89 -0.07 4.33 0.00 -1.26 -5.12 119.74 115.81 1blr s LYS 38 Ca 0.05 -1.31 -0.30 0.00 0.00 0.00 0.00 55.97 54.42 1blr s LYS 38 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 37.83 37.15 1blr s LYS 38 CO 0.04 -1.31 1.09 -1.25 0.00 0.00 0.00 175.35 173.92 1blr s PRO 39 N 0.81 4.41 0.34 1.78 0.04 -1.26 -4.90 135.00 136.21 1blr s PRO 39 Ca 0.27 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1blr s PRO 39 Cb -0.03 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 1blr s PRO 39 CO -0.09 -0.34 0.10 0.00 0.04 0.00 0.00 177.00 176.70 1blr s ALA 40 N 1.97 3.39 0.25 8.56 0.00 -1.21 -4.44 121.76 130.28 1blr s ALA 40 Ca 0.52 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 1blr s ALA 40 Cb -0.21 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1blr s ALA 40 CO 0.21 0.05 0.27 0.54 0.00 0.00 0.00 175.76 176.83 1blr s VAL 41 N -2.45 0.00 -0.25 0.00 0.11 -1.20 -1.94 120.40 114.67 1blr s VAL 41 Ca 0.37 -1.83 -0.03 0.00 -2.93 0.00 0.00 61.98 57.55 1blr s VAL 41 Cb -0.02 -2.46 0.14 0.00 -1.53 0.00 0.00 36.38 32.51 1blr s VAL 41 CO 0.21 0.00 0.42 -1.83 -3.33 0.00 0.00 175.10 170.58 1blr s GLU 42 N -3.85 0.39 0.19 1.54 -1.05 -0.97 -2.36 118.70 112.59 1blr s GLU 42 Ca 0.35 0.67 -0.09 0.00 -0.15 0.00 0.00 54.97 55.76 1blr s GLU 42 Cb 0.04 -0.21 -0.07 0.00 -0.44 0.00 0.00 34.13 33.45 1blr s GLU 42 CO 0.15 -0.60 0.49 0.42 0.95 0.00 0.00 175.26 176.68 1blr s ILE 43 N 2.61 5.00 -0.18 1.83 -1.09 -0.79 -2.71 121.20 125.87 1blr s ILE 43 Ca 0.13 0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.88 1blr s ILE 43 Cb -0.15 -3.63 0.09 0.00 -1.58 0.00 0.00 42.46 37.19 1blr s ILE 43 CO -0.16 0.01 0.26 -0.54 -1.23 0.00 0.00 174.94 173.28 1blr s LYS 44 N -2.65 0.20 0.01 2.79 1.02 -0.95 -2.68 119.74 117.48 1blr s LYS 44 Ca 0.44 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.82 1blr s LYS 44 Cb -0.12 -0.63 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 1blr s LYS 44 CO 0.22 -0.51 0.15 1.14 -0.92 0.00 0.00 175.35 175.43 1blr s GLN 45 N 2.40 0.53 -0.48 1.68 1.03 -1.26 0.17 119.66 123.73 1blr s GLN 45 Ca 0.06 -0.46 0.03 0.00 0.04 0.00 0.00 55.36 55.03 1blr s GLN 45 Cb -0.14 0.22 0.15 0.00 0.03 0.00 0.00 33.01 33.26 1blr s GLN 45 CO -0.11 -0.13 0.30 -2.00 -2.54 0.00 0.00 175.29 170.80 1blr s GLU 46 N -1.66 1.42 6.01 9.60 2.12 -0.52 -4.87 118.70 130.80 1blr s GLU 46 Ca -0.13 -2.25 0.00 0.00 0.36 0.00 0.00 54.97 52.96 1blr s GLU 46 Cb -0.06 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.96 1blr s GLU 46 CO 0.00 -1.22 0.00 0.41 -0.54 0.00 0.00 175.26 173.92 1blr n GLY 47 N 3.17 0.38 0.00 -1.50 0.00 -1.26 -3.07 105.19 102.90 1blr n GLY 47 Ca 0.14 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.61 1blr n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1blr n ASP 48 N 6.86 0.00 -4.80 1.61 5.68 -1.26 -4.74 116.55 119.90 1blr n ASP 48 Ca 0.00 -0.57 -0.38 0.00 -0.50 0.00 0.00 54.79 53.34 1blr n ASP 48 Cb 0.00 -0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 1blr n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1blr s THR 49 N -2.23 4.98 0.08 2.12 2.01 -1.18 -0.83 115.64 120.60 1blr s THR 49 Ca 0.36 0.99 -0.00 0.00 0.31 0.00 0.00 61.69 63.35 1blr s THR 49 Cb 0.19 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1blr s THR 49 CO 0.37 0.50 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.42 1blr s PHE 50 N -0.59 0.70 0.01 4.92 0.40 -0.62 -1.43 117.98 121.37 1blr s PHE 50 Ca 0.26 -1.07 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 1blr s PHE 50 Cb -0.17 -0.45 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 1blr s PHE 50 CO 0.14 -0.35 -0.04 -0.47 0.70 0.00 0.00 175.22 175.21 1blr s TYR 51 N -3.87 0.32 -0.23 0.36 6.14 0.13 -1.97 117.35 118.23 1blr s TYR 51 Ca 0.12 -0.21 -0.03 0.00 0.64 0.00 0.00 57.07 57.59 1blr s TYR 51 Cb 0.07 -0.20 0.10 0.00 0.42 0.00 0.00 41.96 42.35 1blr s TYR 51 CO -0.06 -0.05 0.21 0.42 0.64 0.00 0.00 175.55 176.72 1blr s ILE 52 N -0.53 -0.29 -0.46 3.14 1.01 -0.94 -2.24 121.20 120.89 1blr s ILE 52 Ca -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1blr s ILE 52 Cb -0.04 -0.76 0.12 0.00 0.01 0.00 0.00 42.46 41.79 1blr s ILE 52 CO -0.00 -0.32 0.24 -0.75 0.00 0.00 0.00 174.94 174.11 1blr s LYS 53 N 2.29 2.06 -1.04 2.79 2.20 -1.10 -1.76 119.74 125.18 1blr s LYS 53 Ca 0.07 -2.05 -0.18 0.00 -0.36 0.00 0.00 55.97 53.45 1blr s LYS 53 Cb -0.15 -3.55 0.12 0.00 -1.51 0.00 0.00 37.83 32.74 1blr s LYS 53 CO -0.19 -1.08 1.31 0.99 -0.36 0.00 0.00 175.35 176.02 1blr s THR 54 N 0.73 4.61 0.26 3.43 2.01 -1.26 -2.29 115.64 123.13 1blr s THR 54 Ca 0.11 -1.71 0.03 0.00 0.31 0.00 0.00 61.69 60.44 1blr s THR 54 Cb -0.22 -4.89 -0.06 0.00 0.01 0.00 0.00 72.50 67.34 1blr s THR 54 CO -0.04 -1.65 0.03 -0.94 -0.69 0.00 0.00 174.62 171.33 1blr s SER 55 N 3.74 1.87 -0.06 3.53 1.04 -0.82 -4.76 113.70 118.23 1blr s SER 55 Ca 0.39 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.57 1blr s SER 55 Cb -0.03 0.01 -0.07 0.00 0.10 0.00 0.00 66.02 66.04 1blr s SER 55 CO -0.06 -0.58 0.00 1.07 0.98 0.00 0.00 173.24 174.65 1blr n THR 56 N -0.51 0.40 0.07 2.02 5.66 -1.26 -3.30 114.28 117.36 1blr n THR 56 Ca -0.03 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1blr n THR 56 Cb 0.65 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 1blr n THR 56 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1blr n THR 57 N -2.31 0.00 -3.99 1.09 -1.04 -1.26 -4.91 114.28 101.87 1blr n THR 57 Ca -0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.82 1blr n THR 57 Cb 0.68 -0.09 -0.05 0.00 -1.82 0.00 0.00 70.33 69.05 1blr n THR 57 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1blr s VAL 58 N -1.35 0.00 -0.39 12.58 -7.23 -1.26 -5.04 120.40 117.72 1blr s VAL 58 Ca 0.00 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 58.70 1blr s VAL 58 Cb 0.00 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1blr s VAL 58 CO 0.00 0.00 0.38 -1.14 -0.31 0.00 0.00 175.10 174.03 1blr n ARG 59 N -0.41 -2.80 -3.52 4.82 0.63 -1.26 -5.06 116.66 109.07 1blr n ARG 59 Ca -0.02 2.37 -0.17 0.00 -0.92 0.00 0.00 57.85 59.11 1blr n ARG 59 Cb 0.62 -5.57 -0.06 0.00 0.45 0.00 0.00 32.46 27.90 1blr n ARG 59 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1blr s THR 60 N -2.25 0.00 0.22 5.15 2.01 -1.26 -4.96 115.64 114.55 1blr s THR 60 Ca 0.16 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1blr s THR 60 Cb -0.04 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1blr s THR 60 CO 0.78 -0.02 0.41 0.28 -0.69 0.00 0.00 174.62 175.38 1blr s THR 61 N -1.59 5.19 -0.02 -0.82 -1.32 -1.26 -5.03 115.64 110.78 1blr s THR 61 Ca -0.09 -0.35 -0.13 0.00 -1.21 0.00 0.00 61.69 59.90 1blr s THR 61 Cb -0.00 -3.74 0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1blr s THR 61 CO 0.06 -0.21 0.28 -1.83 -2.21 0.00 0.00 174.62 170.71 1blr s GLU 62 N -3.41 0.61 -0.46 7.08 1.03 -1.26 -4.08 118.70 118.21 1blr s GLU 62 Ca 0.39 -0.19 -0.16 0.00 0.03 0.00 0.00 54.97 55.04 1blr s GLU 62 Cb -0.11 0.27 0.06 0.00 -0.80 0.00 0.00 34.13 33.55 1blr s GLU 62 CO 0.29 -0.16 0.39 0.96 -1.33 0.00 0.00 175.26 175.41 1blr s ILE 63 N -1.24 5.21 -1.08 1.83 -4.36 -0.72 -4.90 121.20 115.95 1blr s ILE 63 Ca -0.13 -0.91 -0.12 0.00 -0.26 0.00 0.00 60.65 59.23 1blr s ILE 63 Cb -0.05 -4.09 0.22 0.00 1.25 0.00 0.00 42.46 39.79 1blr s ILE 63 CO 0.03 -0.53 1.15 0.20 0.24 0.00 0.00 174.94 176.04 1blr s ASN 64 N 2.37 7.10 0.00 4.36 0.02 -1.26 -2.22 114.94 125.30 1blr s ASN 64 Ca 0.05 -3.13 0.00 0.00 -1.02 0.00 0.00 52.86 48.76 1blr s ASN 64 Cb -0.23 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 38.76 1blr s ASN 64 CO 0.08 -0.54 0.00 2.22 0.02 0.00 0.00 177.10 178.88 1blr n PHE 65 N 4.13 0.00 -3.67 2.20 -1.74 -0.83 -5.00 117.46 112.55 1blr n PHE 65 Ca 0.26 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 57.05 1blr n PHE 65 Cb 0.42 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.31 1blr n PHE 65 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 1blr s LYS 66 N 0.83 0.27 0.34 3.97 -2.85 -1.26 -1.59 119.74 119.44 1blr s LYS 66 Ca 0.00 0.90 -0.24 0.00 -1.00 0.00 0.00 55.97 55.63 1blr s LYS 66 Cb 0.00 0.16 -0.15 0.00 -2.06 0.00 0.00 37.83 35.78 1blr s LYS 66 CO 0.00 -0.25 0.46 0.28 0.10 0.00 0.00 175.35 175.94 1blr n VAL 67 N 5.20 1.54 -0.19 1.79 0.31 -0.01 -2.96 118.33 124.01 1blr n VAL 67 Ca -0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1blr n VAL 67 Cb 0.50 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1blr n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1blr n GLY 68 N 1.94 0.89 3.27 2.92 0.00 -1.05 -4.92 105.19 108.25 1blr n GLY 68 Ca 0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1blr n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1blr s GLU 69 N -0.56 1.20 0.36 1.61 0.41 -1.16 -5.04 118.70 115.52 1blr s GLU 69 Ca 0.00 -1.47 0.08 0.00 -0.41 0.00 0.00 54.97 53.18 1blr s GLU 69 Cb 0.00 0.31 -0.06 0.00 -1.78 0.00 0.00 34.13 32.60 1blr s GLU 69 CO 0.00 -0.41 0.05 -1.83 -0.49 0.00 0.00 175.26 172.57 1blr s GLU 70 N -4.09 2.09 0.19 1.61 1.03 -1.26 -2.86 118.70 115.40 1blr s GLU 70 Ca 0.30 -1.82 0.00 0.00 0.03 0.00 0.00 54.97 53.49 1blr s GLU 70 Cb 0.05 -1.90 -0.00 0.00 -0.80 0.00 0.00 34.13 31.49 1blr s GLU 70 CO 0.08 0.06 0.02 1.19 -1.33 0.00 0.00 175.26 175.27 1blr n PHE 71 N -1.01 0.35 -4.32 4.83 3.72 -0.80 -4.93 117.46 115.30 1blr n PHE 71 Ca -0.04 -1.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.17 1blr n PHE 71 Cb 0.63 -0.09 -0.11 0.00 -0.94 0.00 0.00 39.48 38.97 1blr n PHE 71 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1blr s GLU 72 N -2.69 1.24 0.17 -1.08 2.02 -1.26 -2.25 118.70 114.85 1blr s GLU 72 Ca 0.02 -1.45 -0.18 0.00 0.02 0.00 0.00 54.97 53.39 1blr s GLU 72 Cb 0.00 -1.15 0.06 0.00 0.10 0.00 0.00 34.13 33.15 1blr s GLU 72 CO 0.02 0.21 0.85 -1.91 0.02 0.00 0.00 175.26 174.45 1blr n GLU 73 N 0.06 0.58 -4.14 1.61 2.13 0.16 -4.84 120.64 116.21 1blr n GLU 73 Ca -0.11 -1.30 -0.19 0.00 0.66 0.00 0.00 57.16 56.22 1blr n GLU 73 Cb 0.58 1.74 -0.16 0.00 0.27 0.00 0.00 31.44 33.88 1blr n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1blr s GLN 74 N -2.05 0.67 0.23 5.31 -0.21 -1.23 -1.63 119.66 120.76 1blr s GLN 74 Ca 0.19 -0.09 -0.01 0.00 0.02 0.00 0.00 55.36 55.46 1blr s GLN 74 Cb -0.03 -0.70 0.05 0.00 1.00 0.00 0.00 33.01 33.33 1blr s GLN 74 CO 0.05 -0.05 0.32 0.25 -2.12 0.00 0.00 175.29 173.74 1blr n THR 75 N 3.85 0.00 0.06 -0.19 -2.24 -1.12 -4.82 114.28 109.81 1blr n THR 75 Ca -0.24 -0.44 0.05 0.00 -2.27 0.00 0.00 64.05 61.16 1blr n THR 75 Cb 0.52 -1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 67.32 1blr n THR 75 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1blr n VAL 76 N -1.96 0.00 0.14 2.28 0.31 -1.26 -4.52 118.33 113.32 1blr n VAL 76 Ca 0.05 -0.24 0.17 0.00 -0.01 0.00 0.00 64.34 64.31 1blr n VAL 76 Cb 0.18 0.36 0.75 0.00 -0.91 0.00 0.00 33.84 34.22 1blr n VAL 76 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1blr h ASP 77 N 0.00 0.00 0.00 4.52 3.32 -1.98 -3.44 116.42 118.84 1blr h ASP 77 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1blr h ASP 77 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1blr h ASP 77 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1blr n GLY 78 N -1.51 1.18 3.83 2.75 0.00 -1.26 -5.13 105.19 105.05 1blr n GLY 78 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1blr n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1blr s ARG 79 N 0.00 2.45 0.00 1.61 3.00 -1.26 -5.03 118.95 119.72 1blr s ARG 79 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 55.73 54.12 1blr s ARG 79 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 34.95 32.68 1blr s ARG 79 CO 0.00 -0.14 0.00 -0.35 0.00 0.00 0.00 175.30 174.81 1blr n PRO 80 N -1.44 -0.06 -3.65 3.54 -0.04 -1.26 -2.81 135.00 129.28 1blr n PRO 80 Ca 0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 1blr n PRO 80 Cb 0.62 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.02 1blr n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1blr n LYS 82 N 2.08 1.34 -4.19 0.00 2.85 -0.25 0.36 118.16 120.35 1blr n LYS 82 Ca -0.12 -1.25 -0.17 0.00 -1.05 0.00 0.00 58.31 55.72 1blr n LYS 82 Cb 0.57 0.22 -0.07 0.00 -0.65 0.00 0.00 35.03 35.09 1blr n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1blr s SER 83 N -2.08 1.17 -0.30 -5.58 1.04 -0.95 -1.59 113.70 105.40 1blr s SER 83 Ca 0.07 -1.59 -0.12 0.00 0.48 0.00 0.00 55.95 54.78 1blr s SER 83 Cb -0.01 0.57 0.16 0.00 0.10 0.00 0.00 66.02 66.85 1blr s SER 83 CO 0.04 -1.12 0.91 -0.22 0.98 0.00 0.00 173.24 173.83 1blr s LEU 84 N -3.29 -0.73 0.20 2.42 0.20 -1.13 -1.90 118.68 114.45 1blr s LEU 84 Ca 0.36 0.84 -0.14 0.00 0.69 0.00 0.00 54.13 55.88 1blr s LEU 84 Cb 0.02 1.77 -0.07 0.00 -0.43 0.00 0.00 46.19 47.47 1blr s LEU 84 CO 0.23 -0.14 0.60 -0.69 -0.29 0.00 0.00 176.35 176.05 1blr s VAL 85 N 2.64 4.81 0.00 1.68 1.01 -1.14 -1.85 120.40 127.55 1blr s VAL 85 Ca -0.00 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1blr s VAL 85 Cb -0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1blr s VAL 85 CO -0.17 0.12 0.00 1.17 0.00 0.00 0.00 175.10 176.22 1blr n LYS 86 N 0.46 0.00 -3.76 2.72 3.00 -0.82 -2.53 118.16 117.23 1blr n LYS 86 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.08 1blr n LYS 86 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.50 1blr n LYS 86 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1blr n TRP 87 N 0.00 0.46 0.12 5.64 7.02 -1.26 -1.89 117.44 127.52 1blr n TRP 87 Ca 0.00 -1.78 0.00 0.00 -1.02 0.00 0.00 57.50 54.70 1blr n TRP 87 Cb 0.00 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 1blr n TRP 87 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1blr n GLU 88 N -0.76 0.00 -0.01 -0.99 4.07 0.17 -4.59 120.64 118.53 1blr n GLU 88 Ca -0.09 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.97 1blr n GLU 88 Cb 0.44 -0.06 -0.01 0.00 -0.06 0.00 0.00 31.44 31.74 1blr n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1blr n SER 89 N -3.39 0.43 0.00 4.31 3.41 -1.23 -5.00 113.62 112.14 1blr n SER 89 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1blr n SER 89 Cb 0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1blr n SER 89 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1blr n GLU 90 N -3.25 0.00 -0.02 4.33 0.28 -1.26 -4.91 120.64 115.81 1blr n GLU 90 Ca -0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.00 1blr n GLU 90 Cb 0.47 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.41 1blr n GLU 90 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1blr n ASN 91 N 0.00 2.15 -4.16 -1.84 4.13 -1.26 -4.08 115.26 110.20 1blr n ASN 91 Ca 0.00 -1.57 -0.34 0.00 1.68 0.00 0.00 54.58 54.35 1blr n ASN 91 Cb 0.00 -0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 38.06 1blr n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1blr s LYS 92 N -1.02 2.88 0.24 3.52 2.36 -1.26 -1.86 119.74 124.59 1blr s LYS 92 Ca 0.16 -0.93 0.11 0.00 -2.55 0.00 0.00 55.97 52.76 1blr s LYS 92 Cb 0.11 -2.80 -0.05 0.00 -1.05 0.00 0.00 37.83 34.04 1blr s LYS 92 CO 0.16 -0.32 -0.19 0.00 1.55 0.00 0.00 175.35 176.54 1blr s MET 93 N 1.30 1.54 0.26 4.03 0.23 -0.42 0.42 119.30 126.66 1blr s MET 93 Ca 0.02 -1.66 0.00 0.00 -1.03 0.00 0.00 55.69 53.02 1blr s MET 93 Cb -0.15 -1.61 -0.00 0.00 -1.53 0.00 0.00 34.83 31.53 1blr s MET 93 CO -0.08 0.31 0.01 1.33 -2.03 0.00 0.00 175.02 174.56 1blr n VAL 94 N -0.33 0.00 -2.73 5.16 0.24 -0.79 -1.38 118.33 118.50 1blr n VAL 94 Ca -0.08 -1.25 -0.04 0.00 -2.04 0.00 0.00 64.34 60.93 1blr n VAL 94 Cb 0.59 0.28 0.02 0.00 -1.47 0.00 0.00 33.84 33.26 1blr n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1blr s GLU 96 N 0.84 3.41 -0.23 0.00 2.12 -0.77 -1.46 118.70 122.61 1blr s GLU 96 Ca 0.28 1.26 -0.12 0.00 0.36 0.00 0.00 54.97 56.76 1blr s GLU 96 Cb 0.07 -4.14 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 1blr s GLU 96 CO -0.09 -1.77 0.24 -0.65 -0.54 0.00 0.00 175.26 172.45 1blr s GLN 97 N 5.44 4.10 0.23 4.30 -0.21 -0.37 -2.82 119.66 130.34 1blr s GLN 97 Ca 0.74 -0.11 0.07 0.00 0.02 0.00 0.00 55.36 56.08 1blr s GLN 97 Cb -0.20 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 1blr s GLN 97 CO 0.33 0.02 -0.11 -1.59 -2.12 0.00 0.00 175.29 171.82 1blr s LYS 98 N 1.17 1.39 -0.54 2.91 -2.85 -0.62 -2.57 119.74 118.62 1blr s LYS 98 Ca 0.11 -1.65 -0.00 0.00 -1.00 0.00 0.00 55.97 53.43 1blr s LYS 98 Cb -0.14 -1.09 0.45 0.00 -2.06 0.00 0.00 37.83 34.99 1blr s LYS 98 CO 0.06 0.12 1.98 1.47 0.10 0.00 0.00 175.35 179.08 1blr n LEU 99 N -0.44 7.17 -1.42 2.77 -0.00 -1.26 -1.09 117.00 122.72 1blr n LEU 99 Ca -0.07 -3.90 -0.17 0.00 -0.00 0.00 0.00 56.01 51.87 1blr n LEU 99 Cb 0.62 -0.95 -0.07 0.00 -0.00 0.00 0.00 43.42 43.01 1blr n LEU 99 CO 0.36 1.31 -0.16 0.18 -0.00 0.00 0.00 177.39 179.08 1blr n LEU 100 N -0.72 -1.16 0.01 1.47 4.77 -1.26 -4.05 117.00 116.06 1blr n LEU 100 Ca 0.55 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1blr n LEU 100 Cb 0.86 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 1blr n LEU 100 CO 0.67 -0.94 0.00 1.17 -1.33 0.00 0.00 177.39 176.95 1blr n LYS 101 N -1.98 0.00 -0.01 3.23 3.00 -1.26 -5.14 118.16 116.00 1blr n LYS 101 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1blr n LYS 101 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 1blr n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1blr n GLY 102 N -1.05 -3.02 0.17 3.14 0.00 -1.26 -5.01 105.19 98.17 1blr n GLY 102 Ca 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 1blr n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1blr n GLU 103 N -0.95 0.08 0.00 1.61 0.28 -1.26 -5.05 120.64 115.34 1blr n GLU 103 Ca 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1blr n GLU 103 Cb 0.00 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1blr n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1blr n GLY 104 N 3.25 0.31 0.00 -1.84 0.00 -1.26 -5.14 105.19 100.51 1blr n GLY 104 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1blr n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1blr n PRO 105 N -0.06 1.10 -3.73 1.61 -0.04 -1.26 -5.06 135.00 127.57 1blr n PRO 105 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1blr n PRO 105 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1blr n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1blr s LYS 106 N -0.05 1.13 0.31 0.54 2.20 -1.26 -4.83 119.74 117.77 1blr s LYS 106 Ca 0.00 -0.61 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 1blr s LYS 106 Cb 0.00 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1blr s LYS 106 CO 0.00 -0.51 0.30 0.95 -0.36 0.00 0.00 175.35 175.73 1blr s THR 107 N -3.23 3.92 0.00 3.43 -4.23 -1.06 -1.56 115.64 112.90 1blr s THR 107 Ca 0.12 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1blr s THR 107 Cb -0.01 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1blr s THR 107 CO 0.01 -0.22 0.00 -1.54 -0.54 0.00 0.00 174.62 172.33 1blr n SER 108 N -1.37 0.00 -3.61 3.99 3.41 -1.05 -1.23 113.62 113.76 1blr n SER 108 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 1blr n SER 108 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1blr n SER 108 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1blr s TRP 109 N -2.00 -0.66 -0.20 7.33 1.48 -0.53 0.23 118.94 124.59 1blr s TRP 109 Ca 0.00 1.48 -0.01 0.00 -1.06 0.00 0.00 56.10 56.51 1blr s TRP 109 Cb 0.00 0.33 0.06 0.00 -1.16 0.00 0.00 33.47 32.70 1blr s TRP 109 CO 0.00 -0.39 -0.00 0.95 -4.06 0.00 0.00 176.95 173.45 1blr s THR 110 N -0.10 0.90 -0.11 0.66 -4.23 -0.51 0.95 115.64 113.20 1blr s THR 110 Ca -0.02 -0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 59.51 1blr s THR 110 Cb -0.04 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 1blr s THR 110 CO 0.01 -0.12 0.72 -0.13 -0.54 0.00 0.00 174.62 174.56 1blr s ARG 111 N 1.69 4.37 0.08 3.99 0.52 -0.48 -2.16 118.95 126.97 1blr s ARG 111 Ca -0.02 0.87 0.04 0.00 -0.52 0.00 0.00 55.73 56.10 1blr s ARG 111 Cb -0.17 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1blr s ARG 111 CO -0.07 -0.07 -0.12 -2.00 0.02 0.00 0.00 175.30 173.06 1blr s GLU 112 N 1.27 0.81 0.40 3.54 2.12 -0.50 -1.30 118.70 125.04 1blr s GLU 112 Ca 0.36 -1.02 0.08 0.00 0.36 0.00 0.00 54.97 54.75 1blr s GLU 112 Cb -0.17 -0.66 -0.03 0.00 0.26 0.00 0.00 34.13 33.52 1blr s GLU 112 CO 0.16 0.13 0.27 -0.51 -0.54 0.00 0.00 175.26 174.77 1blr s LEU 113 N -2.02 3.30 0.01 2.70 2.01 -0.78 -0.76 118.68 123.14 1blr s LEU 113 Ca 0.00 -0.83 -0.00 0.00 0.01 0.00 0.00 54.13 53.31 1blr s LEU 113 Cb -0.07 -1.83 -0.00 0.00 0.01 0.00 0.00 46.19 44.30 1blr s LEU 113 CO 0.01 -0.53 -0.00 0.41 1.01 0.00 0.00 176.35 177.25 1blr n THR 114 N -1.37 0.11 0.02 5.49 -1.04 0.28 -4.86 114.28 112.90 1blr n THR 114 Ca 0.01 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1blr n THR 114 Cb 0.62 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1blr n THR 114 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1blr n ASN 115 N -2.59 0.14 -2.70 8.00 3.02 -1.26 -5.01 115.26 114.86 1blr n ASN 115 Ca -0.00 0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.54 1blr n ASN 115 Cb 0.00 -0.02 0.09 0.00 -0.61 0.00 0.00 39.78 39.25 1blr n ASN 115 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1blr n ASP 116 N -2.71 -1.88 0.00 6.41 2.03 -1.26 -4.94 116.55 114.20 1blr n ASP 116 Ca 0.00 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.51 1blr n ASP 116 Cb 0.00 1.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.85 1blr n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1blr n GLY 117 N 0.04 0.09 3.57 0.27 0.00 -1.26 -4.97 105.19 102.94 1blr n GLY 117 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1blr n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1blr s GLU 118 N 0.00 3.78 -0.27 1.61 2.02 -1.26 -2.52 118.70 122.06 1blr s GLU 118 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.83 1blr s GLU 118 Cb 0.00 -3.74 0.08 0.00 0.10 0.00 0.00 34.13 30.57 1blr s GLU 118 CO 0.00 -0.43 -0.00 -1.17 0.02 0.00 0.00 175.26 173.68 1blr s LEU 119 N 2.10 3.00 -0.42 1.80 0.20 -0.94 -0.56 118.68 123.86 1blr s LEU 119 Ca 0.14 -1.48 -0.19 0.00 0.69 0.00 0.00 54.13 53.29 1blr s LEU 119 Cb -0.16 -1.22 0.02 0.00 -0.43 0.00 0.00 46.19 44.39 1blr s LEU 119 CO 0.11 -0.30 0.54 0.27 -0.29 0.00 0.00 176.35 176.68 1blr s ILE 120 N 1.32 4.96 -0.19 6.68 -5.25 0.06 -0.45 121.20 128.34 1blr s ILE 120 Ca 0.01 -0.03 -0.04 0.00 -0.99 0.00 0.00 60.65 59.60 1blr s ILE 120 Cb -0.19 -4.10 -0.02 0.00 2.95 0.00 0.00 42.46 41.11 1blr s ILE 120 CO -0.10 -0.46 -0.04 -0.22 -1.79 0.00 0.00 174.94 172.33 1blr s LEU 121 N 2.48 3.06 0.26 0.37 1.98 -1.07 -1.41 118.68 124.34 1blr s LEU 121 Ca 0.18 -0.27 0.09 0.00 -2.89 0.00 0.00 54.13 51.23 1blr s LEU 121 Cb -0.15 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.90 1blr s LEU 121 CO 0.16 0.07 0.04 -0.89 -1.89 0.00 0.00 176.35 173.84 1blr s THR 122 N 0.97 3.70 -0.35 3.68 2.01 -0.92 -2.91 115.64 121.82 1blr s THR 122 Ca 0.00 -1.77 0.06 0.00 0.31 0.00 0.00 61.69 60.30 1blr s THR 122 Cb -0.15 -2.98 0.18 0.00 0.01 0.00 0.00 72.50 69.57 1blr s THR 122 CO 0.01 -0.35 0.55 -0.32 -0.69 0.00 0.00 174.62 173.82 1blr s MET 123 N -3.67 0.65 0.95 4.92 0.00 -0.87 -1.42 119.30 119.86 1blr s MET 123 Ca 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 55.69 55.87 1blr s MET 123 Cb -0.07 -0.02 0.16 0.00 0.00 0.00 0.00 34.83 34.91 1blr s MET 123 CO 0.21 -1.12 1.12 0.95 0.00 0.00 0.00 175.02 176.18 1blr s THR 124 N 2.22 2.00 -0.30 10.11 -4.23 0.13 -2.08 115.64 123.49 1blr s THR 124 Ca 0.13 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.51 1blr s THR 124 Cb -0.09 -2.64 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1blr s THR 124 CO -0.16 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 174.99 1blr s ALA 125 N -3.15 -3.95 -1.21 3.99 0.00 -0.71 -2.52 121.76 114.21 1blr s ALA 125 Ca 0.65 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.96 1blr s ALA 125 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1blr s ALA 125 CO 0.55 -1.91 0.21 -3.47 0.00 0.00 0.00 175.76 171.14 1blr n ASP 126 N 5.22 -4.71 0.00 0.00 -0.08 -0.60 -2.05 116.55 114.32 1blr n ASP 126 Ca 0.04 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1blr n ASP 126 Cb 0.57 -3.71 0.00 0.00 2.34 0.00 0.00 41.12 40.31 1blr n ASP 126 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1blr n ASP 127 N -1.10 0.00 -4.50 1.67 2.03 -1.25 -4.42 116.55 108.98 1blr n ASP 127 Ca -0.13 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.90 1blr n ASP 127 Cb 0.61 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.15 1blr n ASP 127 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1blr s VAL 128 N -2.46 2.07 -0.26 5.18 -7.23 -0.87 -4.81 120.40 112.02 1blr s VAL 128 Ca 0.00 -0.14 -0.08 0.00 -1.81 0.00 0.00 61.98 59.95 1blr s VAL 128 Cb 0.00 -2.93 0.12 0.00 0.56 0.00 0.00 36.38 34.13 1blr s VAL 128 CO 0.00 0.00 0.54 -0.69 -0.31 0.00 0.00 175.10 174.64 1blr s VAL 129 N -3.60 -0.84 -0.79 1.32 1.01 -1.26 -1.74 120.40 114.49 1blr s VAL 129 Ca 0.68 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 1blr s VAL 129 Cb -0.07 -0.86 0.21 0.00 0.00 0.00 0.00 36.38 35.66 1blr s VAL 129 CO 0.49 0.02 0.74 0.00 0.00 0.00 0.00 175.10 176.36 1blr s THR 131 N 0.35 4.52 -0.28 0.00 2.01 -1.26 -2.05 115.64 118.93 1blr s THR 131 Ca 0.16 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 1blr s THR 131 Cb -0.13 -2.98 0.08 0.00 0.01 0.00 0.00 72.50 69.49 1blr s THR 131 CO -0.07 0.53 0.72 0.00 -0.69 0.00 0.00 174.62 175.11 1blr s ARG 132 N -0.20 0.73 0.66 4.92 1.70 -1.14 -4.01 118.95 121.61 1blr s ARG 132 Ca 0.06 1.12 -0.12 0.00 -0.47 0.00 0.00 55.73 56.32 1blr s ARG 132 Cb -0.12 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.47 1blr s ARG 132 CO 0.02 -0.13 1.05 0.08 -1.08 0.00 0.00 175.30 175.24 1blr s VAL 133 N 1.19 4.17 0.30 4.99 1.01 0.27 -2.59 120.40 129.73 1blr s VAL 133 Ca -0.06 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1blr s VAL 133 Cb -0.05 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1blr s VAL 133 CO -0.13 -0.86 0.16 -0.31 0.00 0.00 0.00 175.10 173.96 1blr s TYR 134 N -2.97 1.58 0.08 5.22 1.51 0.40 -0.83 117.35 122.34 1blr s TYR 134 Ca 0.58 -1.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.21 1blr s TYR 134 Cb -0.13 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1blr s TYR 134 CO 0.51 -0.53 0.13 0.08 -1.11 0.00 0.00 175.55 174.63 1blr s VAL 135 N -3.64 0.16 -0.29 0.71 1.01 -1.12 -2.22 120.40 115.01 1blr s VAL 135 Ca 0.36 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 1blr s VAL 135 Cb 0.05 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1blr s VAL 135 CO 0.17 -0.73 0.92 -0.13 0.00 0.00 0.00 175.10 175.34 1blr s ARG 136 N -3.89 4.06 0.00 2.72 0.52 -1.05 -1.49 118.95 119.82 1blr s ARG 136 Ca 0.07 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 1blr s ARG 136 Cb 0.06 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.82 1blr s ARG 136 CO -0.10 -0.73 0.36 -1.91 0.02 0.00 0.00 175.30 172.94