#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o0h n GLU 2 N 0.00 0.31 -1.58 1.64 2.13 -1.26 -4.95 120.64 116.92 1o0h n GLU 2 Ca 0.00 0.11 -0.31 0.00 0.66 0.00 0.00 57.16 57.62 1o0h n GLU 2 Cb 0.00 -1.66 0.05 0.00 0.27 0.00 0.00 31.44 30.10 1o0h n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1o0h s THR 3 N 2.23 3.94 0.31 6.31 -4.23 -1.26 -4.86 115.64 118.09 1o0h s THR 3 Ca 0.99 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 62.13 1o0h s THR 3 Cb -1.32 -3.38 0.22 0.00 1.34 0.00 0.00 72.50 69.35 1o0h s THR 3 CO 0.71 -0.82 1.93 0.00 -0.54 0.00 0.00 174.62 175.89 1o0h h ALA 4 N -0.75 1.38 -0.51 3.99 0.00 -1.92 0.21 119.26 121.67 1o0h h ALA 4 Ca -0.44 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1o0h h ALA 4 Cb 1.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1o0h h ALA 4 CO 0.57 0.49 0.09 0.00 0.00 0.00 0.00 179.25 180.41 1o0h h ALA 5 N 1.47 0.67 -0.43 0.00 0.00 -1.86 -0.79 119.26 118.33 1o0h h ALA 5 Ca 0.22 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1o0h h ALA 5 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1o0h h ALA 5 CO -0.03 0.40 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 1o0h h ALA 6 N 0.98 0.93 -0.69 0.00 0.00 -1.77 -2.12 119.26 116.59 1o0h h ALA 6 Ca 0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1o0h h ALA 6 Cb 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1o0h h ALA 6 CO 0.01 0.62 0.20 -0.22 0.00 0.00 0.00 179.25 179.86 1o0h h LYS 7 N 0.71 1.06 -0.46 0.00 3.64 -0.75 -0.62 116.57 120.15 1o0h h LYS 7 Ca 0.11 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1o0h h LYS 7 Cb 0.65 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1o0h h LYS 7 CO 0.05 0.92 0.28 0.35 -2.27 0.00 0.00 179.45 178.77 1o0h h PHE 8 N 1.02 0.53 -0.56 1.91 3.57 -0.86 -0.05 116.94 122.50 1o0h h PHE 8 Ca 0.22 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1o0h h PHE 8 Cb 0.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1o0h h PHE 8 CO 0.02 0.31 0.16 0.93 -2.23 0.00 0.00 178.31 177.51 1o0h h GLU 9 N 0.57 0.87 -0.53 1.11 5.08 -0.98 0.43 114.58 121.13 1o0h h GLU 9 Ca 0.18 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1o0h h GLU 9 Cb -0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1o0h h GLU 9 CO -0.07 0.80 0.16 -0.09 -1.00 0.00 0.00 179.01 178.80 1o0h h ARG 10 N 0.78 0.84 0.00 2.33 2.43 -0.81 -2.17 114.38 117.77 1o0h h ARG 10 Ca 0.18 -0.19 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 1o0h h ARG 10 Cb 0.30 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1o0h h ARG 10 CO -0.00 0.78 -1.16 1.96 -1.51 0.00 0.00 179.97 180.04 1o0h h GLN 11 N 0.74 0.00 0.00 0.20 4.20 -0.91 -3.42 115.11 115.92 1o0h h GLN 11 Ca 0.17 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1o0h h GLN 11 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1o0h h GLN 11 CO -0.00 0.89 0.00 0.72 -0.67 0.00 0.00 178.83 179.77 1o0h n HIS 12 N -3.28 0.00 -4.04 2.96 8.25 0.13 -4.65 115.22 114.59 1o0h n HIS 12 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 1o0h n HIS 12 Cb 0.97 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.97 1o0h n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1o0h s MET 13 N -0.60 3.87 -0.44 -0.41 -1.94 -0.82 -0.10 119.30 118.86 1o0h s MET 13 Ca 0.00 -0.40 0.05 0.00 -1.71 0.00 0.00 55.69 53.63 1o0h s MET 13 Cb 0.00 -3.18 0.17 0.00 2.01 0.00 0.00 34.83 33.83 1o0h s MET 13 CO 0.00 0.19 0.47 0.34 -0.01 0.00 0.00 175.02 176.01 1o0h s ASP 14 N 0.57 0.49 0.22 3.03 2.15 -0.30 -4.85 116.67 117.97 1o0h s ASP 14 Ca 0.02 -2.43 0.11 0.00 0.43 0.00 0.00 52.55 50.69 1o0h s ASP 14 Cb -0.13 0.44 0.06 0.00 -0.30 0.00 0.00 42.92 43.00 1o0h s ASP 14 CO 0.01 -0.15 1.43 0.28 -0.17 0.00 0.00 175.17 176.58 1o0h h SER 15 N 5.66 0.00 0.00 -0.34 0.02 -1.74 -3.33 113.55 113.82 1o0h h SER 15 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1o0h h SER 15 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1o0h h SER 15 CO 0.23 0.72 0.00 -1.54 -1.14 0.00 0.00 176.83 175.10 1o0h n SER 16 N -3.40 0.00 -4.79 3.07 3.41 -1.26 -4.43 113.62 106.22 1o0h n SER 16 Ca 0.00 0.79 -0.31 0.00 -0.26 0.00 0.00 58.87 59.10 1o0h n SER 16 Cb 0.78 -0.32 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 1o0h n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1o0h s THR 17 N -2.37 3.52 -0.11 6.66 -4.23 -1.25 -4.98 115.64 112.88 1o0h s THR 17 Ca 0.00 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1o0h s THR 17 Cb 0.00 -3.14 -0.24 0.00 1.34 0.00 0.00 72.50 70.46 1o0h s THR 17 CO 0.00 -0.65 0.40 -1.54 -0.54 0.00 0.00 174.62 172.30 1o0h n SER 18 N -3.37 1.23 0.00 3.99 3.41 -1.26 -4.71 113.62 112.91 1o0h n SER 18 Ca 0.08 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1o0h n SER 18 Cb 0.54 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1o0h n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o0h n ALA 19 N -2.78 0.00 -1.00 7.33 0.00 -1.26 -4.78 120.51 118.02 1o0h n ALA 19 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1o0h n ALA 19 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 1o0h n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o0h n ALA 20 N -3.00 0.00 0.00 0.00 0.00 -1.26 -4.99 120.51 111.26 1o0h n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1o0h n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1o0h n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1o0h n SER 21 N 0.00 0.00 -3.85 0.00 2.88 -1.26 -4.95 113.62 106.44 1o0h n SER 21 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1o0h n SER 21 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1o0h n SER 21 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1o0h s SER 22 N -4.00 2.22 0.01 -3.46 1.04 -1.26 -5.02 113.70 103.22 1o0h s SER 22 Ca 0.00 -1.68 0.07 0.00 0.48 0.00 0.00 55.95 54.82 1o0h s SER 22 Cb 0.00 0.51 0.32 0.00 0.10 0.00 0.00 66.02 66.95 1o0h s SER 22 CO 0.00 -0.97 1.23 -1.54 0.98 0.00 0.00 173.24 172.94 1o0h n SER 23 N -1.32 0.02 -0.93 7.02 3.41 -1.26 -1.27 113.62 119.28 1o0h n SER 23 Ca -0.01 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1o0h n SER 23 Cb 0.64 -0.51 0.16 0.00 -0.26 0.00 0.00 64.21 64.25 1o0h n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1o0h n ASN 24 N -1.52 3.07 -0.11 4.04 5.15 -1.26 -4.54 115.26 120.08 1o0h n ASN 24 Ca 0.02 -1.89 -0.05 0.00 -0.60 0.00 0.00 54.58 52.05 1o0h n ASN 24 Cb 0.08 -0.18 0.01 0.00 -0.53 0.00 0.00 39.78 39.16 1o0h n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1o0h h TYR 25 N 3.67 -0.37 -0.24 1.20 3.20 -1.58 -0.82 116.97 122.02 1o0h h TYR 25 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1o0h h TYR 25 Cb 0.85 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1o0h h TYR 25 CO 0.18 -0.23 0.06 0.00 -1.64 0.00 0.00 178.16 176.53 1o0h h ASN 27 N 0.21 0.64 -0.07 0.00 2.35 -1.73 0.14 115.58 117.11 1o0h h ASN 27 Ca 0.08 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1o0h h ASN 27 Cb 0.27 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1o0h h ASN 27 CO 0.00 0.35 -0.16 -0.61 -1.65 0.00 0.00 177.43 175.36 1o0h h GLN 28 N 0.75 0.23 -0.33 0.81 4.15 -0.78 -3.07 115.11 116.88 1o0h h GLN 28 Ca 0.40 -0.16 -0.17 0.00 0.77 0.00 0.00 58.65 59.49 1o0h h GLN 28 Cb 0.39 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1o0h h GLN 28 CO -0.26 0.76 -0.47 0.52 -1.93 0.00 0.00 178.83 177.45 1o0h h MET 29 N -0.26 0.90 -0.65 1.69 2.86 -0.26 -1.28 114.93 117.91 1o0h h MET 29 Ca -0.00 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1o0h h MET 29 Cb 0.76 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 1o0h h MET 29 CO 0.04 1.17 0.36 0.52 1.06 0.00 0.00 176.91 180.06 1o0h h MET 30 N 0.69 0.89 -0.08 1.72 2.86 -0.82 -1.74 114.93 118.45 1o0h h MET 30 Ca 0.03 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1o0h h MET 30 Cb 1.07 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1o0h h MET 30 CO 0.11 0.65 -0.10 -0.22 1.06 0.00 0.00 176.91 178.41 1o0h h LYS 31 N 0.90 0.21 -0.03 1.72 3.64 -1.41 -1.42 116.57 120.18 1o0h h LYS 31 Ca 0.23 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1o0h h LYS 31 Cb 0.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1o0h h LYS 31 CO -0.04 0.66 0.04 0.77 -2.27 0.00 0.00 179.45 178.61 1o0h h SER 32 N -0.23 0.00 -0.68 4.20 0.02 -0.90 -2.07 113.55 113.88 1o0h h SER 32 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1o0h h SER 32 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1o0h h SER 32 CO 0.02 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.25 1o0h n ARG 33 N -3.88 3.29 -2.55 3.45 5.12 -0.68 -4.95 116.66 116.46 1o0h n ARG 33 Ca -0.02 -2.78 -0.17 0.00 -1.93 0.00 0.00 57.85 52.95 1o0h n ARG 33 Cb 0.12 -1.74 0.01 0.00 -1.16 0.00 0.00 32.46 29.69 1o0h n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1o0h n ASN 34 N 1.32 -4.96 -1.21 0.55 3.02 -0.78 -4.85 115.26 108.36 1o0h n ASN 34 Ca 0.25 -0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.81 1o0h n ASN 34 Cb 0.77 -3.95 0.25 0.00 -0.61 0.00 0.00 39.78 36.24 1o0h n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1o0h n LEU 35 N -2.72 3.58 -0.25 3.41 4.77 -0.54 -4.09 117.00 121.16 1o0h n LEU 35 Ca -0.15 -1.62 0.04 0.00 -0.03 0.00 0.00 56.01 54.25 1o0h n LEU 35 Cb 0.62 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1o0h n LEU 35 CO 0.29 0.81 0.39 0.35 -1.33 0.00 0.00 177.39 177.89 1o0h n THR 36 N 1.53 0.76 0.00 -5.08 -2.24 -1.24 -1.46 114.28 106.54 1o0h n THR 36 Ca 0.21 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1o0h n THR 36 Cb 0.61 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1o0h n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1o0h n LYS 37 N -0.56 0.00 0.00 -0.78 4.81 -1.26 -4.20 118.16 116.18 1o0h n LYS 37 Ca 0.06 0.11 0.12 0.00 -0.87 0.00 0.00 58.31 57.73 1o0h n LYS 37 Cb 0.62 -1.09 0.12 0.00 0.02 0.00 0.00 35.03 34.69 1o0h n LYS 37 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1o0h n ASP 38 N -0.81 1.64 -3.59 3.14 -0.08 -1.26 -4.98 116.55 110.61 1o0h n ASP 38 Ca 0.00 -1.27 -0.04 0.00 -1.51 0.00 0.00 54.79 51.97 1o0h n ASP 38 Cb 0.00 0.39 -0.02 0.00 2.34 0.00 0.00 41.12 43.83 1o0h n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o0h s ARG 39 N -2.52 0.49 -0.39 -0.67 1.04 -1.26 -5.10 118.95 110.55 1o0h s ARG 39 Ca 0.20 -0.21 -0.23 0.00 -1.04 0.00 0.00 55.73 54.45 1o0h s ARG 39 Cb 0.18 0.21 0.01 0.00 -2.04 0.00 0.00 34.95 33.31 1o0h s ARG 39 CO 0.57 -0.22 0.78 0.00 -0.04 0.00 0.00 175.30 176.39 1o0h s LYS 41 N 3.14 4.18 0.16 0.00 2.20 -0.54 -4.91 119.74 123.97 1o0h s LYS 41 Ca 0.31 2.34 -0.11 0.00 -0.36 0.00 0.00 55.97 58.15 1o0h s LYS 41 Cb -0.13 -3.91 0.03 0.00 -1.51 0.00 0.00 37.83 32.31 1o0h s LYS 41 CO 0.18 -0.84 1.60 -1.35 -0.36 0.00 0.00 175.35 174.58 1o0h h PRO 42 N 9.44 0.96 -3.83 4.03 0.11 -1.95 -3.44 132.00 137.32 1o0h h PRO 42 Ca -0.43 -0.33 -0.36 0.00 0.11 0.00 0.00 66.00 64.99 1o0h h PRO 42 Cb 1.20 -0.07 -0.34 0.00 0.11 0.00 0.00 31.00 31.90 1o0h h PRO 42 CO 0.94 1.00 -0.75 0.08 -0.21 0.00 0.00 178.00 179.06 1o0h s VAL 43 N -4.93 0.29 -0.24 3.15 1.01 -1.26 -0.66 120.40 117.77 1o0h s VAL 43 Ca -0.12 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1o0h s VAL 43 Cb 0.12 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.21 1o0h s VAL 43 CO 0.84 0.16 0.62 0.21 0.00 0.00 0.00 175.10 176.94 1o0h s ASN 44 N 0.92 -0.69 -0.10 3.32 2.47 -0.37 -5.03 114.94 115.46 1o0h s ASN 44 Ca -0.10 1.27 -0.01 0.00 0.42 0.00 0.00 52.86 54.44 1o0h s ASN 44 Cb -0.13 1.25 -0.03 0.00 -1.45 0.00 0.00 41.25 40.89 1o0h s ASN 44 CO -0.01 -0.22 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.21 1o0h s THR 45 N 0.67 3.83 -0.08 -5.21 2.01 -1.26 -0.93 115.64 114.67 1o0h s THR 45 Ca -0.03 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1o0h s THR 45 Cb -0.05 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1o0h s THR 45 CO -0.04 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.03 1o0h s PHE 46 N -0.42 2.95 -0.16 4.92 0.08 -0.14 -4.31 117.98 120.91 1o0h s PHE 46 Ca 0.06 -0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 1o0h s PHE 46 Cb -0.12 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1o0h s PHE 46 CO 0.02 0.27 -0.04 0.08 -0.10 0.00 0.00 175.22 175.46 1o0h s VAL 47 N -0.62 3.88 -2.47 -0.44 1.01 0.85 -0.61 120.40 122.01 1o0h s VAL 47 Ca 0.09 -0.36 0.23 0.00 0.00 0.00 0.00 61.98 61.95 1o0h s VAL 47 Cb -0.12 -2.70 0.44 0.00 0.00 0.00 0.00 36.38 34.00 1o0h s VAL 47 CO 0.02 0.49 1.53 1.41 0.00 0.00 0.00 175.10 178.54 1o0h n HIS 48 N 3.62 0.19 -2.02 5.22 -0.00 0.32 -1.15 115.22 121.39 1o0h n HIS 48 Ca -0.17 -0.10 -0.28 0.00 -0.00 0.00 0.00 57.72 57.17 1o0h n HIS 48 Cb 0.52 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.60 1o0h n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1o0h s GLU 49 N -1.81 1.92 0.64 -0.41 0.41 -1.26 -4.35 118.70 113.84 1o0h s GLU 49 Ca 0.34 -0.08 -0.17 0.00 -0.41 0.00 0.00 54.97 54.66 1o0h s GLU 49 Cb 0.20 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.52 1o0h s GLU 49 CO 0.29 -1.54 1.16 -1.54 -0.49 0.00 0.00 175.26 173.14 1o0h s SER 50 N -4.59 4.98 0.26 -0.19 1.04 -1.26 -4.26 113.70 109.68 1o0h s SER 50 Ca 0.62 2.21 -0.03 0.00 0.48 0.00 0.00 55.95 59.24 1o0h s SER 50 Cb -0.10 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.83 1o0h s SER 50 CO 0.48 -1.73 1.89 0.25 0.98 0.00 0.00 173.24 175.11 1o0h h LEU 51 N 0.32 1.06 -0.52 2.42 5.85 -1.97 -1.50 115.31 120.97 1o0h h LEU 51 Ca -0.48 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1o0h h LEU 51 Cb 1.27 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1o0h h LEU 51 CO 0.54 0.68 0.27 0.00 -0.34 0.00 0.00 178.44 179.59 1o0h h ALA 52 N 1.44 0.67 -0.39 1.25 0.00 -1.99 0.72 119.26 120.96 1o0h h ALA 52 Ca 0.43 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1o0h h ALA 52 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1o0h h ALA 52 CO -0.16 -0.07 -0.15 -0.44 0.00 0.00 0.00 179.25 178.43 1o0h h ASP 53 N 0.53 0.72 -0.26 0.00 5.19 -1.77 -0.97 116.42 119.86 1o0h h ASP 53 Ca 0.23 -0.22 -0.15 0.00 -0.62 0.00 0.00 57.03 56.27 1o0h h ASP 53 Cb 0.12 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 1o0h h ASP 53 CO -0.15 0.88 -0.42 0.58 -3.12 0.00 0.00 179.24 177.01 1o0h h VAL 54 N 0.65 1.30 -0.37 -1.35 2.07 -0.91 -3.06 116.25 114.59 1o0h h VAL 54 Ca 0.11 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 1o0h h VAL 54 Cb 0.62 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1o0h h VAL 54 CO 0.04 0.52 0.14 1.56 0.02 0.00 0.00 177.57 179.85 1o0h h GLN 55 N 0.47 0.52 0.00 1.57 4.20 -0.75 -2.01 115.11 119.11 1o0h h GLN 55 Ca 0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1o0h h GLN 55 Cb 1.02 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1o0h h GLN 55 CO 0.10 0.43 -0.01 0.00 -0.67 0.00 0.00 178.83 178.68 1o0h h ALA 56 N 1.64 1.08 -0.16 3.87 0.00 -1.07 -2.34 119.26 122.29 1o0h h ALA 56 Ca 0.13 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1o0h h ALA 56 Cb 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1o0h h ALA 56 CO -0.01 0.02 0.13 0.28 0.00 0.00 0.00 179.25 179.67 1o0h h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.36 -0.84 116.25 116.83 1o0h h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1o0h h VAL 57 Cb 0.14 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1o0h h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1o0h n SER 59 N -1.35 2.70 0.00 0.00 3.41 -0.32 -5.01 113.62 113.04 1o0h n SER 59 Ca 0.03 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1o0h n SER 59 Cb 0.07 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1o0h n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o0h n GLN 60 N -1.20 0.00 -2.85 4.33 6.02 -0.17 -5.01 117.38 118.50 1o0h n GLN 60 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1o0h n GLN 60 Cb 0.71 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.93 1o0h n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1o0h s LYS 61 N 3.97 3.59 0.10 -1.09 2.20 -0.96 -4.90 119.74 122.64 1o0h s LYS 61 Ca 0.00 0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.52 1o0h s LYS 61 Cb 0.00 -3.90 -0.07 0.00 -1.51 0.00 0.00 37.83 32.36 1o0h s LYS 61 CO 0.00 -1.13 1.26 1.21 -0.36 0.00 0.00 175.35 176.33 1o0h s ASN 62 N 2.15 7.00 0.08 1.43 3.04 -1.26 -0.29 114.94 127.09 1o0h s ASN 62 Ca 0.36 2.14 -0.03 0.00 0.04 0.00 0.00 52.86 55.37 1o0h s ASN 62 Cb -0.11 -2.59 -0.03 0.00 -1.54 0.00 0.00 41.25 36.99 1o0h s ASN 62 CO 0.24 -0.51 0.06 0.68 -3.04 0.00 0.00 177.10 174.53 1o0h s VAL 63 N 0.91 0.17 0.51 -5.21 -7.23 0.12 -4.92 120.40 104.75 1o0h s VAL 63 Ca 0.60 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.90 1o0h s VAL 63 Cb -0.32 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 1o0h s VAL 63 CO 0.31 -0.76 1.15 0.00 -0.31 0.00 0.00 175.10 175.49 1o0h s ALA 64 N -3.94 2.81 0.47 1.32 0.00 -1.26 -2.73 121.76 118.43 1o0h s ALA 64 Ca 0.11 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 1o0h s ALA 64 Cb 0.07 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1o0h s ALA 64 CO -0.07 -0.74 0.80 0.00 0.00 0.00 0.00 175.76 175.76 1o0h h LYS 66 N 0.44 0.44 -0.03 0.00 1.57 -1.94 -0.74 116.57 116.31 1o0h h LYS 66 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1o0h h LYS 66 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1o0h h LYS 66 CO 0.62 0.29 0.00 0.27 -0.57 0.00 0.00 179.45 180.06 1o0h n ASN 67 N -4.53 0.39 0.00 0.86 0.23 -1.26 -4.90 115.26 106.05 1o0h n ASN 67 Ca 0.19 -1.43 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 1o0h n ASN 67 Cb 0.68 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 1o0h n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1o0h n GLY 68 N 0.90 2.44 3.71 4.83 0.00 -0.28 -5.06 105.19 111.73 1o0h n GLY 68 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1o0h n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1o0h s GLN 69 N -0.72 1.45 -0.24 1.61 -0.21 -1.26 -4.73 119.66 115.56 1o0h s GLN 69 Ca 0.00 1.14 0.10 0.00 0.02 0.00 0.00 55.36 56.62 1o0h s GLN 69 Cb 0.00 -1.81 0.44 0.00 1.00 0.00 0.00 33.01 32.64 1o0h s GLN 69 CO 0.00 -2.20 1.20 0.25 -2.12 0.00 0.00 175.29 172.43 1o0h n THR 70 N -3.90 2.24 -1.21 -0.19 -2.24 -1.26 -0.44 114.28 107.28 1o0h n THR 70 Ca 0.09 -3.55 -0.11 0.00 -2.27 0.00 0.00 64.05 58.20 1o0h n THR 70 Cb 0.53 -0.52 0.23 0.00 -2.10 0.00 0.00 70.33 68.48 1o0h n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1o0h n ASN 71 N -0.89 3.80 -4.93 3.42 6.94 -1.26 -4.73 115.26 117.62 1o0h n ASN 71 Ca 0.28 -3.48 -0.28 0.00 -0.02 0.00 0.00 54.58 51.08 1o0h n ASN 71 Cb 0.82 -0.74 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 1o0h n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1o0h s TYR 73 N -1.74 0.04 -0.17 0.00 1.51 0.24 -0.71 117.35 116.53 1o0h s TYR 73 Ca 0.37 0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 56.42 1o0h s TYR 73 Cb -0.12 -0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.53 1o0h s TYR 73 CO 0.28 -0.06 0.13 -1.14 -1.11 0.00 0.00 175.55 173.65 1o0h s GLN 74 N 0.66 3.87 0.22 -0.62 0.74 0.60 -1.33 119.66 123.81 1o0h s GLN 74 Ca -0.06 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1o0h s GLN 74 Cb -0.08 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.62 1o0h s GLN 74 CO -0.02 0.49 1.47 -1.54 -0.55 0.00 0.00 175.29 175.14 1o0h s SER 75 N -0.19 6.65 0.29 6.67 1.04 0.08 -2.27 113.70 125.96 1o0h s SER 75 Ca 0.11 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.17 1o0h s SER 75 Cb -0.11 -2.61 0.43 0.00 0.10 0.00 0.00 66.02 63.82 1o0h s SER 75 CO 0.00 -0.73 1.81 1.88 0.98 0.00 0.00 173.24 177.19 1o0h h TYR 76 N 5.54 0.76 -2.22 5.02 0.05 -1.94 -3.43 116.97 120.75 1o0h h TYR 76 Ca -0.45 -0.09 -0.47 0.00 0.05 0.00 0.00 58.73 57.77 1o0h h TYR 76 Cb 1.21 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 1o0h h TYR 76 CO 0.62 0.69 -0.45 -1.12 -1.05 0.00 0.00 178.16 176.84 1o0h s SER 77 N -6.65 6.17 0.57 3.88 0.01 -1.26 -5.04 113.70 111.38 1o0h s SER 77 Ca -0.09 0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.04 1o0h s SER 77 Cb 0.15 -1.78 -0.05 0.00 0.21 0.00 0.00 66.02 64.55 1o0h s SER 77 CO 0.79 -0.05 1.02 0.42 0.41 0.00 0.00 173.24 175.83 1o0h s THR 78 N -1.99 4.28 0.06 1.44 -4.23 -1.26 -4.43 115.64 109.52 1o0h s THR 78 Ca 0.34 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.90 1o0h s THR 78 Cb -0.09 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1o0h s THR 78 CO 0.28 -0.71 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.49 1o0h s MET 79 N -4.31 0.74 -0.06 3.99 -1.94 0.34 -4.85 119.30 113.21 1o0h s MET 79 Ca 0.60 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 1o0h s MET 79 Cb -0.12 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 36.00 1o0h s MET 79 CO 0.38 0.14 1.37 0.45 -0.01 0.00 0.00 175.02 177.36 1o0h s SER 80 N -1.73 6.88 0.16 3.03 0.15 -1.26 -1.69 113.70 119.24 1o0h s SER 80 Ca -0.04 1.97 0.01 0.00 0.70 0.00 0.00 55.95 58.60 1o0h s SER 80 Cb -0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1o0h s SER 80 CO 0.02 -0.74 -0.00 0.27 1.20 0.00 0.00 173.24 173.98 1o0h s ILE 81 N 2.94 0.61 -0.09 6.45 -4.36 -0.34 -0.52 121.20 125.89 1o0h s ILE 81 Ca 0.62 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 59.06 1o0h s ILE 81 Cb -0.28 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.40 1o0h s ILE 81 CO 0.23 -0.54 -0.12 -0.89 0.24 0.00 0.00 174.94 173.86 1o0h s THR 82 N -3.70 1.20 -0.21 8.37 2.01 0.23 -1.51 115.64 122.03 1o0h s THR 82 Ca 0.22 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 1o0h s THR 82 Cb 0.06 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1o0h s THR 82 CO 0.02 0.38 0.42 -1.81 -0.69 0.00 0.00 174.62 172.95 1o0h s ASP 83 N 0.97 6.44 -0.19 3.53 1.01 0.13 -0.96 116.67 127.60 1o0h s ASP 83 Ca -0.08 0.52 -0.05 0.00 0.71 0.00 0.00 52.55 53.65 1o0h s ASP 83 Cb -0.15 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 1o0h s ASP 83 CO -0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 175.17 175.26 1o0h s ARG 85 N 0.93 0.30 0.47 0.00 3.52 -0.98 -1.24 118.95 121.94 1o0h s ARG 85 Ca 0.01 0.10 -0.24 0.00 -0.13 0.00 0.00 55.73 55.46 1o0h s ARG 85 Cb -0.14 -0.52 -0.08 0.00 -1.56 0.00 0.00 34.95 32.64 1o0h s ARG 85 CO 0.02 -0.16 1.34 -1.91 -0.81 0.00 0.00 175.30 173.77 1o0h n GLU 86 N 4.30 1.96 -1.59 5.12 2.13 0.17 -1.03 120.64 131.70 1o0h n GLU 86 Ca -0.23 0.70 -0.30 0.00 0.66 0.00 0.00 57.16 57.99 1o0h n GLU 86 Cb 0.50 -2.51 0.07 0.00 0.27 0.00 0.00 31.44 29.78 1o0h n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1o0h s THR 87 N -1.23 3.45 0.28 6.31 -4.23 -0.46 -4.80 115.64 114.96 1o0h s THR 87 Ca 0.64 0.47 0.36 0.00 -1.18 0.00 0.00 61.69 61.98 1o0h s THR 87 Cb -0.46 -3.24 0.39 0.00 1.34 0.00 0.00 72.50 70.54 1o0h s THR 87 CO 0.56 -0.61 2.09 1.23 -0.54 0.00 0.00 174.62 177.34 1o0h h GLY 88 N -0.92 0.00 -1.29 3.99 0.00 -1.94 -2.70 103.07 100.21 1o0h h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1o0h h GLY 88 CO 0.59 0.00 -0.28 -1.14 0.00 0.00 0.00 176.54 175.71 1o0h n SER 89 N -3.14 2.32 -4.77 0.19 3.41 -1.26 -4.98 113.62 105.40 1o0h n SER 89 Ca -0.01 -1.66 -0.41 0.00 -0.26 0.00 0.00 58.87 56.54 1o0h n SER 89 Cb 0.24 0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1o0h n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1o0h s SER 90 N -2.18 6.70 -0.19 4.04 0.15 -1.02 -5.02 113.70 116.18 1o0h s SER 90 Ca 0.21 2.72 -0.06 0.00 0.70 0.00 0.00 55.95 59.52 1o0h s SER 90 Cb 0.18 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.93 1o0h s SER 90 CO 0.44 -0.60 0.39 -0.75 1.20 0.00 0.00 173.24 173.91 1o0h s LYS 91 N -1.54 0.29 0.43 5.44 2.20 -1.20 -4.94 119.74 120.42 1o0h s LYS 91 Ca 0.51 0.95 -0.23 0.00 -0.36 0.00 0.00 55.97 56.84 1o0h s LYS 91 Cb -0.41 0.21 -0.11 0.00 -1.51 0.00 0.00 37.83 36.01 1o0h s LYS 91 CO 0.52 -0.28 0.80 0.98 -0.36 0.00 0.00 175.35 177.00 1o0h n TYR 92 N 5.38 0.40 1.75 4.03 9.36 -1.26 -0.93 117.16 135.89 1o0h n TYR 92 Ca -0.08 0.57 0.15 0.00 3.32 0.00 0.00 57.90 61.87 1o0h n TYR 92 Cb 0.49 -2.11 0.86 0.00 -0.63 0.00 0.00 39.34 37.95 1o0h n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1o0h n PRO 93 N 0.26 0.78 -2.18 2.98 -0.04 -1.26 -4.95 135.00 130.59 1o0h n PRO 93 Ca 0.11 -0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 1o0h n PRO 93 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1o0h n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1o0h n ASN 94 N -1.09 4.56 -4.67 3.54 4.13 -0.11 -4.97 115.26 116.65 1o0h n ASN 94 Ca 0.20 -2.95 -0.42 0.00 1.68 0.00 0.00 54.58 53.08 1o0h n ASN 94 Cb 0.17 -1.60 -0.03 0.00 -1.54 0.00 0.00 39.78 36.78 1o0h n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o0h s ALA 96 N 3.36 1.80 0.08 0.00 0.00 -1.26 -4.96 121.76 120.78 1o0h s ALA 96 Ca 0.64 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1o0h s ALA 96 Cb -0.29 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1o0h s ALA 96 CO 0.23 0.34 -0.15 0.71 0.00 0.00 0.00 175.76 176.89 1o0h s TYR 97 N -0.06 1.28 -0.17 0.00 2.02 -1.26 -1.36 117.35 117.81 1o0h s TYR 97 Ca -0.04 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1o0h s TYR 97 Cb -0.12 -0.72 -0.05 0.00 -0.40 0.00 0.00 41.96 40.67 1o0h s TYR 97 CO 0.03 0.07 0.19 0.21 -1.57 0.00 0.00 175.55 174.48 1o0h s LYS 98 N -1.79 4.06 -0.24 -0.62 2.47 -0.20 -4.72 119.74 118.71 1o0h s LYS 98 Ca -0.01 -0.09 -0.12 0.00 -1.56 0.00 0.00 55.97 54.19 1o0h s LYS 98 Cb -0.10 -3.37 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 1o0h s LYS 98 CO 0.02 0.39 0.21 0.99 0.16 0.00 0.00 175.35 177.12 1o0h s THR 99 N 0.08 5.32 -0.10 3.43 2.01 -1.26 -2.31 115.64 122.80 1o0h s THR 99 Ca 0.12 0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 1o0h s THR 99 Cb -0.12 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1o0h s THR 99 CO 0.01 0.32 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.31 1o0h s THR 100 N 1.17 0.89 0.34 -0.82 2.01 -0.69 -5.00 115.64 113.54 1o0h s THR 100 Ca 0.10 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1o0h s THR 100 Cb -0.14 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.34 1o0h s THR 100 CO 0.06 0.34 0.87 -1.10 -0.69 0.00 0.00 174.62 174.10 1o0h s GLN 101 N 1.70 4.30 0.24 4.92 -0.21 -1.26 -0.69 119.66 128.66 1o0h s GLN 101 Ca 0.04 1.06 -0.19 0.00 0.02 0.00 0.00 55.36 56.29 1o0h s GLN 101 Cb -0.13 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.38 1o0h s GLN 101 CO -0.07 0.17 0.61 0.00 -2.12 0.00 0.00 175.29 173.88 1o0h s ALA 102 N -1.87 -0.97 -0.28 6.09 0.00 -0.57 -4.94 121.76 119.22 1o0h s ALA 102 Ca 0.54 -0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1o0h s ALA 102 Cb -0.13 0.90 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1o0h s ALA 102 CO 0.18 -0.93 0.08 -0.80 0.00 0.00 0.00 175.76 174.30 1o0h s ASN 103 N -2.92 3.71 0.11 0.00 -0.87 -1.26 -1.20 114.94 112.51 1o0h s ASN 103 Ca 0.12 -1.39 -0.05 0.00 -1.57 0.00 0.00 52.86 49.97 1o0h s ASN 103 Cb -0.03 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.25 40.43 1o0h s ASN 103 CO 0.04 -0.39 0.13 -0.54 -2.57 0.00 0.00 177.10 173.77 1o0h s LYS 104 N 1.73 0.90 0.35 -0.60 1.02 -0.68 -4.76 119.74 117.70 1o0h s LYS 104 Ca 0.07 -1.19 -0.27 0.00 0.02 0.00 0.00 55.97 54.59 1o0h s LYS 104 Cb -0.17 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.35 1o0h s LYS 104 CO -0.22 -0.27 1.16 -1.01 -0.92 0.00 0.00 175.35 174.08 1o0h s HIS 105 N -3.95 3.25 0.12 3.18 3.76 0.45 -0.51 115.29 121.59 1o0h s HIS 105 Ca 0.14 1.59 0.04 0.00 -0.15 0.00 0.00 55.06 56.67 1o0h s HIS 105 Cb 0.06 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 1o0h s HIS 105 CO -0.05 -1.09 0.14 0.96 -0.85 0.00 0.00 174.74 173.85 1o0h s ILE 106 N -1.31 4.67 -0.13 0.60 -4.36 -1.26 -0.60 121.20 118.80 1o0h s ILE 106 Ca 0.52 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 1o0h s ILE 106 Cb -0.32 -3.33 0.02 0.00 1.25 0.00 0.00 42.46 40.08 1o0h s ILE 106 CO 0.41 -0.00 -0.13 -0.63 0.24 0.00 0.00 174.94 174.83 1o0h s ILE 107 N -1.60 1.42 0.11 8.37 1.01 0.41 -0.74 121.20 130.18 1o0h s ILE 107 Ca 0.31 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1o0h s ILE 107 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1o0h s ILE 107 CO 0.24 0.43 -0.13 0.68 0.00 0.00 0.00 174.94 176.16 1o0h s VAL 108 N 1.47 1.21 0.00 2.92 -7.23 -0.44 -0.51 120.40 117.82 1o0h s VAL 108 Ca 0.03 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 1o0h s VAL 108 Cb -0.13 -1.41 -0.06 0.00 0.56 0.00 0.00 36.38 35.34 1o0h s VAL 108 CO -0.09 -0.41 0.41 0.00 -0.31 0.00 0.00 175.10 174.70 1o0h s ALA 109 N -2.05 3.70 0.01 1.32 0.00 -0.44 -0.59 121.76 123.71 1o0h s ALA 109 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.89 1o0h s ALA 109 Cb -0.05 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1o0h s ALA 109 CO 0.02 0.48 -0.26 0.00 0.00 0.00 0.00 175.76 176.01 1o0h s GLU 111 N -0.92 1.00 0.20 0.00 2.12 -0.67 -4.88 118.70 115.55 1o0h s GLU 111 Ca 0.11 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1o0h s GLU 111 Cb -0.10 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1o0h s GLU 111 CO 0.01 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1o0h n GLY 112 N 0.14 -2.76 2.80 -1.50 0.00 -1.26 -2.99 105.19 99.62 1o0h n GLY 112 Ca -0.14 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1o0h n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o0h s ASN 113 N -2.17 3.09 0.72 1.61 3.04 -1.26 -1.75 114.94 118.23 1o0h s ASN 113 Ca 0.00 -0.87 -0.14 0.00 0.04 0.00 0.00 52.86 51.89 1o0h s ASN 113 Cb 0.00 -0.76 0.03 0.00 -1.54 0.00 0.00 41.25 38.98 1o0h s ASN 113 CO 0.00 -0.28 1.14 -2.16 -3.04 0.00 0.00 177.10 172.77 1o0h s PRO 114 N 1.73 2.36 -0.64 0.43 0.04 -1.26 -5.08 135.00 132.58 1o0h s PRO 114 Ca -0.02 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 1o0h s PRO 114 Cb -0.17 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1o0h s PRO 114 CO -0.07 -1.61 1.15 -0.47 0.04 0.00 0.00 177.00 176.03 1o0h s TYR 115 N -2.30 2.53 0.15 0.56 5.04 -0.72 -4.87 117.35 117.74 1o0h s TYR 115 Ca 0.69 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.35 1o0h s TYR 115 Cb -0.23 -4.45 -0.04 0.00 0.35 0.00 0.00 41.96 37.59 1o0h s TYR 115 CO 0.46 -1.73 0.08 0.14 -1.34 0.00 0.00 175.55 173.16 1o0h s VAL 116 N 4.93 0.08 0.33 3.14 -7.23 -1.16 -4.85 120.40 115.64 1o0h s VAL 116 Ca 0.35 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 1o0h s VAL 116 Cb -0.10 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 1o0h s VAL 116 CO 0.19 -0.33 1.39 -2.84 -0.31 0.00 0.00 175.10 173.20 1o0h s PRO 117 N -4.08 4.26 0.00 4.82 0.02 -1.26 -1.66 135.00 137.10 1o0h s PRO 117 Ca 0.28 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1o0h s PRO 117 Cb 0.07 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1o0h s PRO 117 CO 0.05 -0.35 0.30 1.33 -0.33 0.00 0.00 177.00 178.00 1o0h n VAL 118 N 1.08 0.04 -3.64 3.83 0.24 0.33 -4.44 118.33 115.77 1o0h n VAL 118 Ca 0.02 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 1o0h n VAL 118 Cb 0.41 1.42 -0.07 0.00 -1.47 0.00 0.00 33.84 34.12 1o0h n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1o0h s HIS 119 N -0.04 -0.64 -0.38 6.34 5.65 -1.22 -4.74 115.29 120.26 1o0h s HIS 119 Ca 0.00 1.52 -0.16 0.00 0.25 0.00 0.00 55.06 56.67 1o0h s HIS 119 Cb 0.00 0.34 0.00 0.00 -1.18 0.00 0.00 32.58 31.74 1o0h s HIS 119 CO 0.00 -0.31 0.41 0.12 -0.65 0.00 0.00 174.74 174.31 1o0h s PHE 120 N 0.43 3.19 -0.13 3.88 2.19 -1.26 -1.33 117.98 124.95 1o0h s PHE 120 Ca 0.00 -0.18 -0.19 0.00 0.33 0.00 0.00 56.93 56.90 1o0h s PHE 120 Cb -0.05 -2.79 -0.25 0.00 -1.31 0.00 0.00 43.02 38.62 1o0h s PHE 120 CO -0.05 -0.56 0.50 0.22 1.83 0.00 0.00 175.22 177.16 1o0h h ASP 121 N 8.59 0.24 -5.81 6.13 3.58 -1.15 -3.49 116.42 124.52 1o0h h ASP 121 Ca -0.28 -0.79 0.34 0.00 0.42 0.00 0.00 57.03 56.71 1o0h h ASP 121 Cb 1.13 -0.08 -0.12 0.00 1.72 0.00 0.00 39.33 41.98 1o0h h ASP 121 CO 0.75 1.52 0.85 0.00 -2.88 0.00 0.00 179.24 179.48 1o0h s ALA 122 N -2.42 -2.29 0.04 -0.78 0.00 -1.04 -4.98 121.76 110.29 1o0h s ALA 122 Ca -0.22 0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1o0h s ALA 122 Cb 0.04 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1o0h s ALA 122 CO 0.72 -1.07 -0.26 -1.54 0.00 0.00 0.00 175.76 173.61 1o0h s SER 123 N -3.07 3.20 0.00 0.00 1.04 -1.26 -0.44 113.70 113.16 1o0h s SER 123 Ca 0.16 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1o0h s SER 123 Cb 0.05 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1o0h s SER 123 CO -0.04 0.27 0.06 0.52 0.98 0.00 0.00 173.24 175.03