#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5t s LYS 3 N 0.00 4.37 0.01 -2.82 1.02 -1.26 -4.83 119.74 116.23 1m5t s LYS 3 Ca 0.00 2.18 0.08 0.00 0.02 0.00 0.00 55.97 58.25 1m5t s LYS 3 Cb 0.00 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1m5t s LYS 3 CO 0.00 -0.17 -0.25 0.15 -0.92 0.00 0.00 175.35 174.16 1m5t s LYS 4 N -1.58 1.99 -0.15 1.68 1.02 -1.26 -2.03 119.74 119.41 1m5t s LYS 4 Ca 0.50 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1m5t s LYS 4 Cb -0.39 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1m5t s LYS 4 CO 0.51 0.54 -0.16 0.08 -0.92 0.00 0.00 175.35 175.40 1m5t s VAL 5 N -0.72 2.65 -0.29 3.17 1.01 -0.55 -0.42 120.40 125.25 1m5t s VAL 5 Ca 0.11 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 1m5t s VAL 5 Cb -0.10 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1m5t s VAL 5 CO 0.01 0.52 0.54 -0.22 0.00 0.00 0.00 175.10 175.94 1m5t s LEU 6 N 0.76 4.13 -0.25 3.92 2.96 -0.11 -1.33 118.68 128.76 1m5t s LEU 6 Ca -0.06 0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.13 1m5t s LEU 6 Cb -0.15 -2.68 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1m5t s LEU 6 CO 0.01 -0.37 0.16 -0.63 -1.32 0.00 0.00 176.35 174.19 1m5t s ILE 7 N 2.39 5.18 -0.40 6.68 1.01 0.56 -0.57 121.20 136.05 1m5t s ILE 7 Ca 0.21 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 1m5t s ILE 7 Cb -0.15 -3.43 0.10 0.00 0.01 0.00 0.00 42.46 38.98 1m5t s ILE 7 CO 0.11 0.31 0.20 -0.69 0.00 0.00 0.00 174.94 174.87 1m5t s VAL 8 N 1.36 3.51 -0.20 2.92 1.01 0.39 -1.95 120.40 127.44 1m5t s VAL 8 Ca 0.07 -1.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 1m5t s VAL 8 Cb -0.15 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.01 1m5t s VAL 8 CO 0.07 -0.60 0.45 -0.70 0.00 0.00 0.00 175.10 174.31 1m5t s GLU 9 N 1.23 0.40 0.23 2.72 2.56 -0.61 -1.57 118.70 123.65 1m5t s GLU 9 Ca 0.05 0.95 0.14 0.00 0.00 0.00 0.00 54.97 56.11 1m5t s GLU 9 Cb -0.23 0.17 -0.00 0.00 2.00 0.00 0.00 34.13 36.07 1m5t s GLU 9 CO -0.02 -0.20 1.35 0.22 -0.56 0.00 0.00 175.26 176.04 1m5t h ASP 10 N 7.58 0.00 -3.19 -1.70 3.58 -1.83 -3.36 116.42 117.50 1m5t h ASP 10 Ca -0.27 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.60 1m5t h ASP 10 Cb 1.15 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.14 1m5t h ASP 10 CO 0.21 0.60 0.73 0.21 -2.88 0.00 0.00 179.24 178.10 1m5t s ASN 11 N -6.43 6.99 0.15 2.28 3.84 -1.26 -4.96 114.94 115.55 1m5t s ASN 11 Ca 0.03 1.20 -0.18 0.00 0.21 0.00 0.00 52.86 54.12 1m5t s ASN 11 Cb 0.08 -2.51 0.06 0.00 -0.55 0.00 0.00 41.25 38.32 1m5t s ASN 11 CO 0.77 -0.69 1.68 -0.08 -2.79 0.00 0.00 177.10 175.99 1m5t h GLU 12 N 7.69 0.01 -0.73 0.43 4.81 -1.99 -0.15 114.58 124.64 1m5t h GLU 12 Ca -0.20 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1m5t h GLU 12 Cb 1.07 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1m5t h GLU 12 CO 0.97 0.01 0.43 -0.07 -0.73 0.00 0.00 179.01 179.61 1m5t h LEU 13 N 0.01 0.90 -0.51 1.64 3.38 -1.99 -0.92 115.31 117.81 1m5t h LEU 13 Ca 0.16 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1m5t h LEU 13 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1m5t h LEU 13 CO -0.34 0.71 -0.16 0.78 0.09 0.00 0.00 178.44 179.52 1m5t h ASN 14 N 1.00 1.03 -0.86 -0.43 -0.26 -1.89 -1.78 115.58 112.39 1m5t h ASN 14 Ca 0.26 -0.37 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 1m5t h ASN 14 Cb -0.01 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 36.93 1m5t h ASN 14 CO -0.05 1.17 0.49 -0.03 -1.06 0.00 0.00 177.43 177.95 1m5t h MET 15 N 0.88 1.19 -0.41 0.81 4.05 -0.70 -0.92 114.93 119.84 1m5t h MET 15 Ca 0.12 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1m5t h MET 15 Cb 0.74 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1m5t h MET 15 CO 0.06 0.86 0.00 0.87 0.23 0.00 0.00 176.91 178.93 1m5t h LYS 16 N 1.20 0.72 -0.15 0.39 1.57 -0.98 -0.45 116.57 118.86 1m5t h LYS 16 Ca 0.30 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1m5t h LYS 16 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1m5t h LYS 16 CO -0.05 0.80 0.08 1.25 -0.57 0.00 0.00 179.45 180.96 1m5t h LEU 17 N 0.55 0.19 -0.40 2.94 5.85 -1.02 -0.27 115.31 123.15 1m5t h LEU 17 Ca 0.12 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1m5t h LEU 17 Cb 0.48 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1m5t h LEU 17 CO 0.02 0.23 0.24 -0.26 -0.34 0.00 0.00 178.44 178.33 1m5t h PHE 18 N 0.13 0.52 -0.14 1.25 0.04 -1.09 -1.43 116.94 116.22 1m5t h PHE 18 Ca 0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1m5t h PHE 18 Cb 0.08 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1m5t h PHE 18 CO -0.04 0.37 0.09 1.25 -0.60 0.00 0.00 178.31 179.38 1m5t h HIS 19 N 0.52 0.17 -0.62 -0.55 -0.00 -0.89 -1.78 115.15 112.00 1m5t h HIS 19 Ca 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1m5t h HIS 19 Cb -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1m5t h HIS 19 CO -0.04 0.11 0.41 -0.44 -0.00 0.00 0.00 177.93 177.98 1m5t h ASP 20 N 0.18 0.70 -0.56 3.26 5.19 -0.87 0.53 116.42 124.86 1m5t h ASP 20 Ca 0.05 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1m5t h ASP 20 Cb -0.02 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1m5t h ASP 20 CO -0.01 0.50 0.11 -0.07 -3.12 0.00 0.00 179.24 176.66 1m5t h LEU 21 N 0.83 0.86 -0.30 1.55 3.38 -1.12 -2.08 115.31 118.43 1m5t h LEU 21 Ca 0.23 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1m5t h LEU 21 Cb -0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1m5t h LEU 21 CO -0.06 0.89 -0.38 -0.07 0.09 0.00 0.00 178.44 178.90 1m5t h LEU 22 N 0.80 0.86 -0.93 1.67 3.38 -1.10 -3.07 115.31 116.93 1m5t h LEU 22 Ca 0.17 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1m5t h LEU 22 Cb 0.37 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1m5t h LEU 22 CO 0.01 1.18 0.60 -0.08 0.09 0.00 0.00 178.44 180.24 1m5t h GLU 23 N 0.56 1.13 0.00 1.13 4.81 -0.83 -1.26 114.58 120.12 1m5t h GLU 23 Ca 0.04 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1m5t h GLU 23 Cb 0.98 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1m5t h GLU 23 CO 0.09 0.75 -0.07 0.00 -0.73 0.00 0.00 179.01 179.05 1m5t h ALA 24 N 1.39 1.37 -0.01 2.92 0.00 -1.28 -0.08 119.26 123.56 1m5t h ALA 24 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1m5t h ALA 24 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1m5t h ALA 24 CO -0.13 0.09 -0.09 1.04 0.00 0.00 0.00 179.25 180.16 1m5t n GLN 25 N -3.70 1.33 -0.27 0.00 1.13 -0.53 -4.92 117.38 110.42 1m5t n GLN 25 Ca -0.02 -0.76 0.00 0.00 -1.94 0.00 0.00 57.00 54.28 1m5t n GLN 25 Cb 0.17 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1m5t n GLN 25 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1m5t n GLY 26 N 1.23 0.81 3.88 1.08 0.00 -0.04 -5.08 105.19 107.07 1m5t n GLY 26 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1m5t n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1m5t s TYR 27 N -2.12 3.47 0.33 1.61 1.51 -0.87 -4.85 117.35 116.42 1m5t s TYR 27 Ca 0.00 0.78 -0.03 0.00 -1.01 0.00 0.00 57.07 56.81 1m5t s TYR 27 Cb 0.00 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1m5t s TYR 27 CO 0.00 0.35 0.58 -1.21 -1.11 0.00 0.00 175.55 174.16 1m5t s GLU 28 N -2.63 3.57 0.11 -0.62 2.02 -0.86 -3.94 118.70 116.35 1m5t s GLU 28 Ca 0.43 -0.10 0.06 0.00 0.02 0.00 0.00 54.97 55.38 1m5t s GLU 28 Cb -0.12 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1m5t s GLU 28 CO 0.22 0.14 -0.14 0.95 0.02 0.00 0.00 175.26 176.45 1m5t s THR 29 N -2.24 1.26 -0.05 3.63 -4.23 -1.26 -1.48 115.64 111.26 1m5t s THR 29 Ca 0.43 -1.63 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 1m5t s THR 29 Cb -0.10 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1m5t s THR 29 CO 0.34 -0.39 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.05 1m5t s LEU 30 N -2.30 2.01 -0.00 4.79 1.43 -0.44 -4.91 118.68 119.25 1m5t s LEU 30 Ca 0.06 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1m5t s LEU 30 Cb -0.06 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 1m5t s LEU 30 CO 0.03 0.21 -0.15 -1.10 0.23 0.00 0.00 176.35 175.57 1m5t s GLN 31 N -0.12 1.19 0.02 1.70 -0.21 -1.26 -0.32 119.66 120.65 1m5t s GLN 31 Ca -0.03 -0.57 -0.26 0.00 0.02 0.00 0.00 55.36 54.53 1m5t s GLN 31 Cb -0.12 -1.16 0.06 0.00 1.00 0.00 0.00 33.01 32.79 1m5t s GLN 31 CO 0.03 0.31 0.59 -0.08 -2.12 0.00 0.00 175.29 174.02 1m5t s THR 32 N -0.41 0.01 -0.77 -0.19 -1.32 -0.82 -4.98 115.64 107.16 1m5t s THR 32 Ca 0.05 -0.11 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 1m5t s THR 32 Cb -0.06 -0.97 -0.20 0.00 -1.51 0.00 0.00 72.50 69.76 1m5t s THR 32 CO -0.00 -0.06 0.91 0.54 -2.21 0.00 0.00 174.62 173.80 1m5t n ARG 33 N 0.57 0.16 -4.59 7.08 1.74 -1.26 -1.58 116.66 118.79 1m5t n ARG 33 Ca -0.19 -0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.57 1m5t n ARG 33 Cb 0.59 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 1m5t n ARG 33 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1m5t s GLU 34 N -3.12 1.55 0.10 5.56 2.02 -1.26 -3.99 118.70 119.54 1m5t s GLU 34 Ca 0.05 -1.25 -0.21 0.00 0.02 0.00 0.00 54.97 53.58 1m5t s GLU 34 Cb 0.15 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 32.36 1m5t s GLU 34 CO 0.84 0.47 1.70 0.78 0.02 0.00 0.00 175.26 179.08 1m5t h GLY 35 N 4.24 0.19 1.02 -1.39 0.00 -1.94 -2.01 103.07 103.18 1m5t h GLY 35 Ca -0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1m5t h GLY 35 CO 0.41 0.08 0.51 1.41 0.00 0.00 0.00 176.54 178.95 1m5t h LEU 36 N 0.12 1.08 -1.23 3.11 3.38 -2.00 -1.73 115.31 118.04 1m5t h LEU 36 Ca 0.05 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1m5t h LEU 36 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1m5t h LEU 36 CO -0.01 0.84 -0.02 -1.28 0.09 0.00 0.00 178.44 178.06 1m5t h SER 37 N 1.22 0.47 -0.72 -0.43 0.87 -1.97 -2.35 113.55 110.64 1m5t h SER 37 Ca 0.31 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1m5t h SER 37 Cb -0.02 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1m5t h SER 37 CO -0.06 0.55 0.38 0.00 -0.53 0.00 0.00 176.83 177.18 1m5t h ALA 38 N 1.50 1.29 -0.54 6.23 0.00 -0.55 -0.86 119.26 126.33 1m5t h ALA 38 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1m5t h ALA 38 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1m5t h ALA 38 CO 0.01 0.57 0.08 -0.07 0.00 0.00 0.00 179.25 179.84 1m5t h LEU 39 N 1.03 0.86 0.05 0.00 3.38 -1.09 -0.07 115.31 119.48 1m5t h LEU 39 Ca 0.26 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1m5t h LEU 39 Cb 0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1m5t h LEU 39 CO -0.04 0.91 -0.03 0.28 0.09 0.00 0.00 178.44 179.65 1m5t h SER 40 N 0.78 -0.09 -0.82 -0.43 0.02 -1.13 -2.43 113.55 109.46 1m5t h SER 40 Ca 0.16 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1m5t h SER 40 Cb 0.42 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1m5t h SER 40 CO 0.01 -0.06 0.41 0.40 -1.14 0.00 0.00 176.83 176.46 1m5t h ILE 41 N -0.08 1.25 -0.69 3.27 2.04 -1.05 -2.41 117.51 119.84 1m5t h ILE 41 Ca -0.00 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1m5t h ILE 41 Cb 0.07 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1m5t h ILE 41 CO -0.00 0.30 0.43 0.00 0.00 0.00 0.00 178.15 178.88 1m5t h ALA 42 N 1.28 0.90 -0.23 1.87 0.00 -0.72 0.16 119.26 122.51 1m5t h ALA 42 Ca 0.29 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1m5t h ALA 42 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1m5t h ALA 42 CO -0.04 0.21 -0.30 0.00 0.00 0.00 0.00 179.25 179.12 1m5t h ARG 43 N 0.85 0.61 0.00 0.00 3.08 -1.22 -2.08 114.38 115.62 1m5t h ARG 43 Ca 0.28 -0.35 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1m5t h ARG 43 Cb 0.01 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.10 1m5t h ARG 43 CO -0.10 0.95 -0.61 1.49 -1.07 0.00 0.00 179.97 180.63 1m5t h GLU 44 N 0.32 0.41 -0.01 0.04 4.57 -1.29 -3.36 114.58 115.25 1m5t h GLU 44 Ca 0.03 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1m5t h GLU 44 Cb 0.87 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1m5t h GLU 44 CO 0.07 1.11 -0.62 0.09 -1.18 0.00 0.00 179.01 178.47 1m5t n ASN 45 N -4.22 1.32 -3.81 1.04 3.02 0.54 -5.03 115.26 108.13 1m5t n ASN 45 Ca -0.10 -1.07 -0.29 0.00 -0.03 0.00 0.00 54.58 53.08 1m5t n ASN 45 Cb 0.68 0.57 0.01 0.00 -0.61 0.00 0.00 39.78 40.42 1m5t n ASN 45 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1m5t n LYS 46 N -0.82 -1.19 -1.10 3.52 5.02 -0.78 -4.93 118.16 117.87 1m5t n LYS 46 Ca 0.07 0.62 -0.31 0.00 -2.02 0.00 0.00 58.31 56.67 1m5t n LYS 46 Cb 0.39 -2.69 0.11 0.00 -0.02 0.00 0.00 35.03 32.81 1m5t n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1m5t s PRO 47 N -5.49 1.89 0.16 1.97 0.04 -1.26 -4.94 135.00 127.37 1m5t s PRO 47 Ca 0.15 1.30 0.24 0.00 0.04 0.00 0.00 61.00 62.73 1m5t s PRO 47 Cb -0.08 -1.85 0.24 0.00 0.04 0.00 0.00 34.50 32.86 1m5t s PRO 47 CO 0.90 -1.94 1.26 -0.44 0.04 0.00 0.00 177.00 176.82 1m5t h ASP 48 N -1.31 0.00 -4.69 6.66 3.32 -1.10 -3.47 116.42 115.83 1m5t h ASP 48 Ca -0.43 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 1m5t h ASP 48 Cb 1.24 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 1m5t h ASP 48 CO 0.48 0.07 0.19 -0.22 -1.72 0.00 0.00 179.24 178.05 1m5t s LEU 49 N -4.65 -0.67 -0.15 1.55 0.20 -1.17 -4.34 118.68 109.45 1m5t s LEU 49 Ca 0.04 0.90 0.02 0.00 0.69 0.00 0.00 54.13 55.78 1m5t s LEU 49 Cb 0.12 2.49 0.01 0.00 -0.43 0.00 0.00 46.19 48.38 1m5t s LEU 49 CO 0.74 -0.50 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.47 1m5t s ILE 50 N -0.76 2.21 -0.40 6.68 1.01 -0.45 -0.93 121.20 128.55 1m5t s ILE 50 Ca -0.08 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 1m5t s ILE 50 Cb -0.01 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.59 1m5t s ILE 50 CO 0.07 0.54 0.26 -0.22 0.00 0.00 0.00 174.94 175.59 1m5t s LEU 51 N 0.89 5.00 -0.24 2.97 2.96 0.26 -0.31 118.68 130.22 1m5t s LEU 51 Ca -0.05 -1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 52.73 1m5t s LEU 51 Cb -0.15 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1m5t s LEU 51 CO -0.03 -0.46 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.18 1m5t s MET 52 N 1.57 3.17 0.01 1.98 -2.45 -0.05 -0.46 119.30 123.07 1m5t s MET 52 Ca 0.03 -0.76 -0.30 0.00 -1.25 0.00 0.00 55.69 53.40 1m5t s MET 52 Cb -0.20 -3.04 -0.04 0.00 1.25 0.00 0.00 34.83 32.80 1m5t s MET 52 CO 0.07 -0.29 1.10 0.34 1.05 0.00 0.00 175.02 177.28 1m5t s ASP 53 N 1.43 7.20 0.21 1.11 -1.08 -0.61 -0.59 116.67 124.35 1m5t s ASP 53 Ca 0.04 1.81 0.05 0.00 -0.52 0.00 0.00 52.55 53.92 1m5t s ASP 53 Cb -0.15 -2.57 0.15 0.00 -1.46 0.00 0.00 42.92 38.89 1m5t s ASP 53 CO -0.03 -0.40 1.49 0.40 0.52 0.00 0.00 175.17 177.15 1m5t h ILE 54 N 4.74 1.44 -1.67 4.11 1.08 -1.28 -3.37 117.51 122.56 1m5t h ILE 54 Ca -0.39 -2.28 -0.77 0.00 -0.39 0.00 0.00 64.86 61.02 1m5t h ILE 54 Cb 1.20 2.22 -0.19 0.00 -3.07 0.00 0.00 36.82 36.98 1m5t h ILE 54 CO 0.80 0.67 1.79 0.00 -0.69 0.00 0.00 178.15 180.72 1m5t n GLN 55 N -3.77 4.84 -2.61 2.37 3.00 -1.26 -0.67 117.38 119.29 1m5t n GLN 55 Ca -0.03 -3.97 -0.34 0.00 -0.01 0.00 0.00 57.00 52.65 1m5t n GLN 55 Cb 0.70 -2.59 -0.04 0.00 0.00 0.00 0.00 30.24 28.31 1m5t n GLN 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1m5t s LEU 56 N -2.85 3.86 0.41 1.08 1.43 -1.22 -4.96 118.68 116.43 1m5t s LEU 56 Ca 0.46 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.48 1m5t s LEU 56 Cb 0.17 -4.55 0.86 0.00 0.03 0.00 0.00 46.19 42.70 1m5t s LEU 56 CO -0.09 -0.66 2.05 -0.65 0.23 0.00 0.00 176.35 177.23 1m5t h PRO 57 N 1.61 0.50 0.00 1.29 0.11 -1.94 -3.25 132.00 130.32 1m5t h PRO 57 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1m5t h PRO 57 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1m5t h PRO 57 CO 0.60 0.35 -1.30 -0.85 -0.21 0.00 0.00 178.00 176.59 1m5t n GLU 58 N -4.46 0.60 -3.49 1.05 0.00 -1.26 -5.03 120.64 108.05 1m5t n GLU 58 Ca 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 57.16 56.98 1m5t n GLU 58 Cb 0.08 -1.44 -0.04 0.00 0.00 0.00 0.00 31.44 30.05 1m5t n GLU 58 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1m5t s ILE 59 N -3.05 0.00 0.09 3.84 2.07 -1.23 -5.11 121.20 117.82 1m5t s ILE 59 Ca 0.02 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.96 1m5t s ILE 59 Cb 0.14 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.67 1m5t s ILE 59 CO 0.81 0.00 1.04 -0.55 -1.91 0.00 0.00 174.94 174.33 1m5t s SER 60 N -1.97 7.34 0.61 4.50 0.15 -1.26 -3.37 113.70 119.70 1m5t s SER 60 Ca -0.03 1.88 0.34 0.00 0.70 0.00 0.00 55.95 58.84 1m5t s SER 60 Cb -0.01 -2.59 1.99 0.00 -1.71 0.00 0.00 66.02 63.70 1m5t s SER 60 CO -0.03 -0.22 2.28 1.23 1.20 0.00 0.00 173.24 177.70 1m5t h GLY 61 N 5.94 0.00 1.77 9.45 0.00 -1.06 -1.23 103.07 117.94 1m5t h GLY 61 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1m5t h GLY 61 CO 0.74 0.00 -0.41 1.41 0.00 0.00 0.00 176.54 178.28 1m5t h LEU 62 N 0.00 0.27 -0.61 3.11 3.38 -1.90 -1.00 115.31 118.56 1m5t h LEU 62 Ca 0.01 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1m5t h LEU 62 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1m5t h LEU 62 CO -0.00 0.66 -0.62 -0.33 0.09 0.00 0.00 178.44 178.24 1m5t h GLU 63 N 0.22 0.28 -0.42 1.13 5.08 -1.62 -1.48 114.58 117.77 1m5t h GLU 63 Ca 0.02 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1m5t h GLU 63 Cb 0.83 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1m5t h GLU 63 CO 0.07 0.81 -0.30 0.28 -1.00 0.00 0.00 179.01 178.87 1m5t h VAL 64 N 0.21 1.27 -0.50 3.13 2.07 -1.40 -2.55 116.25 118.47 1m5t h VAL 64 Ca -0.01 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1m5t h VAL 64 Cb 1.14 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1m5t h VAL 64 CO 0.10 0.50 0.18 0.74 0.02 0.00 0.00 177.57 179.10 1m5t h THR 65 N 0.77 1.19 -0.57 2.57 2.02 -1.00 -1.46 112.91 116.43 1m5t h THR 65 Ca 0.08 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1m5t h THR 65 Cb 0.89 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1m5t h THR 65 CO 0.08 0.24 0.22 0.50 0.37 0.00 0.00 175.52 176.93 1m5t h LYS 66 N 0.72 0.85 -0.75 6.66 3.64 -1.02 -0.69 116.57 125.98 1m5t h LYS 66 Ca 0.17 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1m5t h LYS 66 Cb 0.18 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1m5t h LYS 66 CO -0.01 0.74 0.38 -1.49 -2.27 0.00 0.00 179.45 176.80 1m5t h TRP 67 N 0.78 1.06 -0.55 1.91 6.55 -1.00 -1.55 115.95 123.15 1m5t h TRP 67 Ca 0.19 -0.04 0.01 0.00 0.95 0.00 0.00 58.89 60.00 1m5t h TRP 67 Cb 0.21 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 28.15 1m5t h TRP 67 CO 0.01 0.77 0.36 -0.07 -1.05 0.00 0.00 178.44 178.46 1m5t h LEU 68 N 1.05 0.62 -0.48 -4.49 3.38 -0.79 -2.70 115.31 111.89 1m5t h LEU 68 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1m5t h LEU 68 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1m5t h LEU 68 CO -0.04 0.44 0.00 0.11 0.09 0.00 0.00 178.44 179.05 1m5t h LYS 69 N 0.73 0.00 -0.10 1.13 1.79 -0.84 -2.83 116.57 116.46 1m5t h LYS 69 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1m5t h LYS 69 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1m5t h LYS 69 CO -0.05 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.71 1m5t n GLU 70 N -2.65 1.86 -3.82 3.15 1.02 -0.61 -4.72 120.64 114.88 1m5t n GLU 70 Ca 0.03 -1.27 -0.36 0.00 -0.02 0.00 0.00 57.16 55.54 1m5t n GLU 70 Cb 0.38 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.22 1m5t n GLU 70 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1m5t s ASP 71 N -1.82 5.14 0.00 1.62 2.15 -1.11 -4.98 116.67 117.66 1m5t s ASP 71 Ca 0.35 -1.32 0.05 0.00 0.43 0.00 0.00 52.55 52.06 1m5t s ASP 71 Cb 0.20 -1.80 0.29 0.00 -0.30 0.00 0.00 42.92 41.31 1m5t s ASP 71 CO 0.31 -0.33 0.96 0.47 -0.17 0.00 0.00 175.17 176.40 1m5t n ASP 72 N 4.71 0.00 0.07 -0.34 8.00 -1.26 -0.44 116.55 127.28 1m5t n ASP 72 Ca -0.11 0.11 0.11 0.00 0.71 0.00 0.00 54.79 55.60 1m5t n ASP 72 Cb 0.44 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1m5t n ASP 72 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1m5t n ASP 73 N -1.21 0.62 -0.00 -2.24 8.00 -1.26 -4.44 116.55 116.02 1m5t n ASP 73 Ca 0.03 0.24 0.01 0.00 0.71 0.00 0.00 54.79 55.78 1m5t n ASP 73 Cb 0.04 0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 41.98 1m5t n ASP 73 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1m5t n LEU 74 N -2.57 0.05 0.00 0.64 4.77 -0.24 -4.76 117.00 114.88 1m5t n LEU 74 Ca -0.02 -0.29 0.18 0.00 -0.03 0.00 0.00 56.01 55.85 1m5t n LEU 74 Cb 0.57 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.31 1m5t n LEU 74 CO 0.42 0.01 1.18 0.00 -1.33 0.00 0.00 177.39 177.66 1m5t h ALA 75 N 0.21 2.38 0.00 -1.18 0.00 -0.52 -2.07 119.26 118.09 1m5t h ALA 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1m5t h ALA 75 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1m5t h ALA 75 CO 0.00 -0.52 0.00 -2.39 0.00 0.00 0.00 179.25 176.34 1m5t n HIS 76 N -4.41 0.38 -2.65 0.00 1.44 -1.26 -4.75 115.22 103.97 1m5t n HIS 76 Ca 0.09 0.14 -0.43 0.00 -2.01 0.00 0.00 57.72 55.51 1m5t n HIS 76 Cb 0.53 -0.72 -0.02 0.00 0.12 0.00 0.00 29.99 29.90 1m5t n HIS 76 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1m5t s ILE 77 N -3.11 4.68 0.27 0.61 1.01 -0.78 -5.00 121.20 118.87 1m5t s ILE 77 Ca 0.08 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.42 1m5t s ILE 77 Cb 0.11 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 1m5t s ILE 77 CO 0.39 -0.11 1.42 -2.16 0.00 0.00 0.00 174.94 174.48 1m5t s PRO 78 N 2.78 4.27 -0.17 2.79 0.04 -1.26 -4.84 135.00 138.60 1m5t s PRO 78 Ca 0.47 2.30 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 1m5t s PRO 78 Cb -0.17 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1m5t s PRO 78 CO 0.11 -0.39 -0.08 0.08 0.04 0.00 0.00 177.00 176.76 1m5t s VAL 79 N -0.23 3.26 -0.26 -0.36 1.01 -1.26 -1.34 120.40 121.21 1m5t s VAL 79 Ca 0.57 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1m5t s VAL 79 Cb -0.42 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1m5t s VAL 79 CO 0.46 0.48 0.01 -0.69 0.00 0.00 0.00 175.10 175.36 1m5t s VAL 80 N 0.87 3.63 0.29 2.92 1.01 0.58 -0.57 120.40 129.12 1m5t s VAL 80 Ca -0.02 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 1m5t s VAL 80 Cb -0.15 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 1m5t s VAL 80 CO 0.01 0.25 0.91 0.00 0.00 0.00 0.00 175.10 176.26 1m5t s ALA 81 N 1.48 3.26 -0.18 5.51 0.00 -0.38 -0.88 121.76 130.57 1m5t s ALA 81 Ca 0.04 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1m5t s ALA 81 Cb -0.16 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1m5t s ALA 81 CO -0.00 0.20 -0.17 0.08 0.00 0.00 0.00 175.76 175.86 1m5t s VAL 82 N -1.53 2.31 0.03 0.00 1.01 0.24 0.84 120.40 123.30 1m5t s VAL 82 Ca 0.47 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1m5t s VAL 82 Cb -0.19 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1m5t s VAL 82 CO 0.25 0.52 0.05 0.28 0.00 0.00 0.00 175.10 176.20 1m5t s THR 83 N 1.23 0.13 -0.48 3.92 -1.32 -0.29 -0.74 115.64 118.08 1m5t s THR 83 Ca 0.03 -1.07 0.24 0.00 -1.21 0.00 0.00 61.69 59.68 1m5t s THR 83 Cb -0.14 -0.71 0.14 0.00 -1.51 0.00 0.00 72.50 70.28 1m5t s THR 83 CO -0.09 -0.59 1.38 0.00 -2.21 0.00 0.00 174.62 173.11 1m5t h ALA 84 N 3.98 0.73 -3.47 11.08 0.00 -1.89 -1.24 119.26 128.45 1m5t h ALA 84 Ca -0.32 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.91 1m5t h ALA 84 Cb 1.19 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 1m5t h ALA 84 CO 0.48 0.00 -0.72 -0.06 0.00 0.00 0.00 179.25 178.95 1m5t s PHE 85 N -3.23 3.21 -0.24 0.00 0.40 -1.26 -4.70 117.98 112.16 1m5t s PHE 85 Ca 0.05 -1.81 0.15 0.00 -0.60 0.00 0.00 56.93 54.72 1m5t s PHE 85 Cb 0.10 -2.08 0.47 0.00 0.51 0.00 0.00 43.02 42.02 1m5t s PHE 85 CO 0.71 -0.79 1.16 0.00 0.70 0.00 0.00 175.22 177.01 1m5t n ALA 86 N 4.62 3.75 -1.57 5.36 0.00 -1.26 -4.75 120.51 126.67 1m5t n ALA 86 Ca -0.14 -3.23 -0.30 0.00 0.00 0.00 0.00 53.44 49.77 1m5t n ALA 86 Cb 0.44 -0.56 0.10 0.00 0.00 0.00 0.00 19.45 19.44 1m5t n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1m5t s MET 87 N -3.30 1.79 0.30 0.00 -1.94 -1.26 -4.70 119.30 110.20 1m5t s MET 87 Ca 0.39 0.51 0.06 0.00 -1.71 0.00 0.00 55.69 54.94 1m5t s MET 87 Cb 0.37 -1.90 0.79 0.00 2.01 0.00 0.00 34.83 36.11 1m5t s MET 87 CO -0.02 -1.79 1.69 0.87 -0.01 0.00 0.00 175.02 175.76 1m5t h LYS 88 N -1.21 0.39 -0.40 2.03 1.57 -2.00 0.12 116.57 117.07 1m5t h LYS 88 Ca -0.48 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1m5t h LYS 88 Cb 1.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1m5t h LYS 88 CO 0.60 0.26 0.10 0.78 -0.57 0.00 0.00 179.45 180.62 1m5t h GLY 89 N 0.40 0.64 1.07 3.86 0.00 -1.99 -2.35 103.07 104.70 1m5t h GLY 89 Ca 0.59 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 47.40 1m5t h GLY 89 CO -0.54 0.32 -0.65 -0.55 0.00 0.00 0.00 176.54 175.12 1m5t h ASP 90 N 0.58 0.85 -0.60 0.19 3.32 -1.11 -2.48 116.42 117.16 1m5t h ASP 90 Ca 0.14 -0.61 0.07 0.00 0.02 0.00 0.00 57.03 56.64 1m5t h ASP 90 Cb 0.22 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1m5t h ASP 90 CO -0.00 1.32 0.28 -0.33 -1.72 0.00 0.00 179.24 178.78 1m5t h GLU 91 N 0.43 0.49 -0.48 3.56 3.07 -0.99 -0.28 114.58 120.38 1m5t h GLU 91 Ca -0.04 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 1m5t h GLU 91 Cb 1.28 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1m5t h GLU 91 CO 0.14 0.33 -0.03 1.49 -1.40 0.00 0.00 179.01 179.53 1m5t h GLU 92 N 0.51 0.86 -0.50 2.33 4.57 -1.42 -2.19 114.58 118.73 1m5t h GLU 92 Ca 0.29 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1m5t h GLU 92 Cb 0.27 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1m5t h GLU 92 CO -0.24 0.92 0.12 -0.09 -1.18 0.00 0.00 179.01 178.55 1m5t h ARG 93 N 0.71 0.76 -0.38 1.92 9.65 -0.92 -1.32 114.38 124.80 1m5t h ARG 93 Ca 0.13 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 1m5t h ARG 93 Cb 0.56 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1m5t h ARG 93 CO 0.03 0.69 -0.31 0.82 2.80 0.00 0.00 179.97 184.00 1m5t h ILE 94 N 0.74 1.28 -0.29 1.20 2.04 -0.93 -1.27 117.51 120.27 1m5t h ILE 94 Ca 0.17 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1m5t h ILE 94 Cb 0.27 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1m5t h ILE 94 CO -0.00 0.49 0.00 0.03 0.00 0.00 0.00 178.15 178.67 1m5t h ARG 95 N 0.70 0.52 -0.22 2.37 3.08 -1.05 -2.51 114.38 117.28 1m5t h ARG 95 Ca 0.08 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1m5t h ARG 95 Cb 0.86 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1m5t h ARG 95 CO 0.08 0.66 0.09 0.93 -1.07 0.00 0.00 179.97 180.66 1m5t h GLU 96 N 0.31 0.29 0.00 0.04 5.08 -1.16 -1.60 114.58 117.54 1m5t h GLU 96 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1m5t h GLU 96 Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1m5t h GLU 96 CO 0.01 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 1m5t n GLY 97 N -1.36 -1.21 0.00 -3.84 0.00 -0.49 -4.87 105.19 93.41 1m5t n GLY 97 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1m5t n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m5t n GLY 98 N 0.07 1.06 3.72 -0.02 0.00 -0.60 -4.54 105.19 104.88 1m5t n GLY 98 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1m5t n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m5t h GLU 100 N 6.44 0.00 -2.64 0.00 4.57 -1.17 -3.40 114.58 118.39 1m5t h GLU 100 Ca -0.42 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 57.88 1m5t h GLU 100 Cb 1.20 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 1m5t h GLU 100 CO 0.74 0.18 0.43 0.00 -1.18 0.00 0.00 179.01 179.18 1m5t s ALA 101 N -3.57 -1.37 -0.02 2.92 0.00 -1.21 -5.04 121.76 113.46 1m5t s ALA 101 Ca 0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 1m5t s ALA 101 Cb 0.09 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1m5t s ALA 101 CO 0.63 -1.04 0.29 1.52 0.00 0.00 0.00 175.76 177.16 1m5t s TYR 102 N -2.82 -0.17 -0.19 0.00 1.13 -1.26 -1.26 117.35 112.78 1m5t s TYR 102 Ca 0.16 0.26 0.01 0.00 -1.41 0.00 0.00 57.07 56.09 1m5t s TYR 102 Cb -0.03 0.08 0.03 0.00 -1.10 0.00 0.00 41.96 40.94 1m5t s TYR 102 CO 0.06 -0.37 -0.17 0.42 -2.51 0.00 0.00 175.55 172.98 1m5t s ILE 103 N -1.24 2.01 0.36 -3.49 -1.09 0.25 -4.92 121.20 113.07 1m5t s ILE 103 Ca -0.13 -1.03 -0.07 0.00 -2.23 0.00 0.00 60.65 57.19 1m5t s ILE 103 Cb -0.05 -1.89 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 1m5t s ILE 103 CO 0.04 0.41 0.67 -0.94 -1.23 0.00 0.00 174.94 173.90 1m5t s SER 104 N 1.28 6.46 -0.12 3.58 1.04 -1.26 -1.14 113.70 123.54 1m5t s SER 104 Ca 0.02 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.30 1m5t s SER 104 Cb -0.14 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1m5t s SER 104 CO -0.11 -0.33 0.11 -0.54 0.98 0.00 0.00 173.24 173.35 1m5t s LYS 105 N -3.83 3.42 0.28 4.02 1.02 -0.47 -2.96 119.74 121.22 1m5t s LYS 105 Ca 0.47 -0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 1m5t s LYS 105 Cb -0.10 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 33.97 1m5t s LYS 105 CO 0.32 0.72 1.31 -1.25 -0.92 0.00 0.00 175.35 175.54 1m5t s PRO 106 N -0.88 4.37 0.13 -1.68 0.04 -1.26 -4.87 135.00 130.85 1m5t s PRO 106 Ca 0.14 2.16 -0.31 0.00 0.04 0.00 0.00 61.00 63.03 1m5t s PRO 106 Cb -0.12 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1m5t s PRO 106 CO 0.03 -0.21 1.68 0.42 0.04 0.00 0.00 177.00 178.96 1m5t s ILE 107 N -0.65 2.63 -0.53 0.56 1.01 -1.16 -4.97 121.20 118.09 1m5t s ILE 107 Ca 0.52 0.30 -0.20 0.00 0.00 0.00 0.00 60.65 61.27 1m5t s ILE 107 Cb -0.39 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 38.95 1m5t s ILE 107 CO 0.47 0.01 0.71 -0.55 0.00 0.00 0.00 174.94 175.57 1m5t s SER 108 N 1.89 6.23 0.24 3.58 0.15 -1.26 -4.94 113.70 119.60 1m5t s SER 108 Ca 0.74 -0.89 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 1m5t s SER 108 Cb -0.44 -2.32 0.31 0.00 -1.71 0.00 0.00 66.02 61.86 1m5t s SER 108 CO 0.33 -1.01 1.88 0.58 1.20 0.00 0.00 173.24 176.22 1m5t h VAL 109 N 5.90 1.11 -0.48 4.45 2.07 -1.98 -0.70 116.25 126.62 1m5t h VAL 109 Ca -0.28 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1m5t h VAL 109 Cb 1.09 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1m5t h VAL 109 CO 1.01 0.20 0.09 0.58 0.02 0.00 0.00 177.57 179.48 1m5t h VAL 110 N 1.10 1.24 -0.80 2.57 2.07 -1.99 -0.28 116.25 120.17 1m5t h VAL 110 Ca 0.38 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1m5t h VAL 110 Cb 0.07 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1m5t h VAL 110 CO -0.14 0.32 0.32 -0.74 0.02 0.00 0.00 177.57 177.35 1m5t h HIS 111 N 0.66 1.22 0.35 1.57 -0.00 -1.91 0.33 115.15 117.37 1m5t h HIS 111 Ca 0.15 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1m5t h HIS 111 Cb 0.37 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1m5t h HIS 111 CO 0.03 0.92 -0.24 0.35 -0.00 0.00 0.00 177.93 178.98 1m5t h PHE 112 N 1.17 -0.64 -0.64 5.26 3.57 -0.77 -0.90 116.94 123.99 1m5t h PHE 112 Ca 0.27 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1m5t h PHE 112 Cb 0.22 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1m5t h PHE 112 CO 0.02 -0.37 0.23 -0.07 -2.23 0.00 0.00 178.31 175.89 1m5t h LEU 113 N -0.58 0.91 -0.73 0.59 3.38 -0.88 -1.48 115.31 116.52 1m5t h LEU 113 Ca -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1m5t h LEU 113 Cb 0.50 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1m5t h LEU 113 CO 0.02 0.86 0.46 -0.08 0.09 0.00 0.00 178.44 179.78 1m5t h GLU 114 N 0.92 0.97 -0.07 1.13 4.81 -0.83 -0.90 114.58 120.61 1m5t h GLU 114 Ca 0.21 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1m5t h GLU 114 Cb 0.25 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1m5t h GLU 114 CO -0.01 0.66 0.00 1.15 -0.73 0.00 0.00 179.01 180.09 1m5t h THR 115 N 0.99 1.24 -0.56 0.32 2.02 -0.90 -1.78 112.91 114.24 1m5t h THR 115 Ca 0.26 -0.74 -0.11 0.00 0.77 0.00 0.00 66.41 66.60 1m5t h THR 115 Cb -0.08 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1m5t h THR 115 CO -0.05 0.21 -0.07 0.40 0.37 0.00 0.00 175.52 176.37 1m5t h ILE 116 N -0.16 1.27 -0.70 3.11 2.04 -1.18 -2.26 117.51 119.64 1m5t h ILE 116 Ca 0.02 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 1m5t h ILE 116 Cb 0.32 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1m5t h ILE 116 CO 0.00 0.43 0.15 0.11 0.00 0.00 0.00 178.15 178.84 1m5t h LYS 117 N 0.91 1.13 -0.06 2.37 1.57 -1.18 -0.52 116.57 120.80 1m5t h LYS 117 Ca 0.15 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1m5t h LYS 117 Cb 0.62 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1m5t h LYS 117 CO 0.04 1.00 0.03 -0.09 -0.57 0.00 0.00 179.45 179.87 1m5t h ARG 118 N 1.06 0.08 -0.14 3.15 2.43 -1.14 -0.93 114.38 118.88 1m5t h ARG 118 Ca 0.22 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1m5t h ARG 118 Cb 0.40 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1m5t h ARG 118 CO 0.01 0.11 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.08 1m5t h LEU 119 N 0.02 0.36 0.03 3.80 3.38 -1.28 -1.92 115.31 119.70 1m5t h LEU 119 Ca 0.02 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.60 1m5t h LEU 119 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1m5t h LEU 119 CO -0.00 0.75 -1.09 -0.07 0.09 0.00 0.00 178.44 178.12 1m5t h LEU 120 N 0.28 0.18 0.00 1.67 3.38 -0.99 -3.38 115.31 116.44 1m5t h LEU 120 Ca 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1m5t h LEU 120 Cb 0.87 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1m5t h LEU 120 CO 0.07 1.14 -1.77 -0.62 0.09 0.00 0.00 178.44 177.35 1m5t n GLU 121 N -3.44 0.60 -1.73 1.13 -0.58 -0.36 -4.98 120.64 111.28 1m5t n GLU 121 Ca -0.03 -0.16 -0.41 0.00 -0.42 0.00 0.00 57.16 56.13 1m5t n GLU 121 Cb 0.96 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 1m5t n GLU 121 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1m5t n ARG 122 N -2.09 2.32 -3.17 3.49 1.85 -0.72 -4.94 116.66 113.40 1m5t n ARG 122 Ca -0.03 0.82 -0.39 0.00 -1.00 0.00 0.00 57.85 57.25 1m5t n ARG 122 Cb 0.47 -2.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.33 1m5t n ARG 122 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1m5t s GLN 123 N -2.08 4.37 0.00 2.89 -1.52 -1.26 -5.02 119.66 117.04 1m5t s GLN 123 Ca 0.56 0.72 0.30 0.00 -1.95 0.00 0.00 55.36 54.99 1m5t s GLN 123 Cb -0.51 -3.40 1.77 0.00 -0.22 0.00 0.00 33.01 30.65 1m5t s GLN 123 CO 0.62 0.21 2.10 -0.35 -0.25 0.00 0.00 175.29 177.62