#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5x s LEU 1 N 0.00 3.94 -0.07 1.04 2.96 -0.29 -4.95 118.68 121.31 2r5x s LEU 1 Ca 0.00 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2r5x s LEU 1 Cb 0.00 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2r5x s LEU 1 CO 0.00 0.39 -0.11 -1.59 -1.32 0.00 0.00 176.35 173.72 2r5x s LYS 2 N -0.93 2.77 -0.50 1.98 -2.85 -1.26 -0.77 119.74 118.17 2r5x s LYS 2 Ca 0.14 -0.64 -0.16 0.00 -1.00 0.00 0.00 55.97 54.31 2r5x s LYS 2 Cb -0.12 -2.51 0.09 0.00 -2.06 0.00 0.00 37.83 33.24 2r5x s LYS 2 CO 0.03 0.56 0.46 -0.06 0.10 0.00 0.00 175.35 176.44 2r5x s PHE 3 N -0.54 3.23 -0.21 1.78 0.08 -0.74 -4.96 117.98 116.62 2r5x s PHE 3 Ca 0.08 -1.04 0.19 0.00 0.12 0.00 0.00 56.93 56.27 2r5x s PHE 3 Cb -0.12 -3.46 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 2r5x s PHE 3 CO 0.02 -0.91 1.14 0.93 -0.10 0.00 0.00 175.22 176.30 2r5x h GLU 4 N 8.83 0.00 -1.79 0.44 4.39 -1.98 -3.39 114.58 121.08 2r5x h GLU 4 Ca -0.29 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.79 2r5x h GLU 4 Cb 1.10 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.36 2r5x h GLU 4 CO 0.95 0.22 -0.39 0.09 -1.16 0.00 0.00 179.01 178.72 2r5x n ASN 5 N -2.94 5.17 -0.01 1.42 5.03 -1.26 -4.70 115.26 117.97 2r5x n ASN 5 Ca -0.02 -3.73 0.02 0.00 0.87 0.00 0.00 54.58 51.72 2r5x n ASN 5 Cb 0.69 -0.60 -0.12 0.00 -1.02 0.00 0.00 39.78 38.73 2r5x n ASN 5 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2r5x n THR 6 N -0.42 0.78 -0.98 3.41 -2.24 -1.26 -4.97 114.28 108.60 2r5x n THR 6 Ca 0.40 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2r5x n THR 6 Cb 0.52 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2r5x n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r5x n GLY 7 N 1.41 0.47 0.18 3.38 0.00 -1.26 -4.92 105.19 104.45 2r5x n GLY 7 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2r5x n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2r5x h LEU 8 N 0.00 0.00 -0.19 0.99 3.38 -1.93 -3.31 115.31 114.25 2r5x h LEU 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r5x h LEU 8 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2r5x h LEU 8 CO 0.00 0.37 0.00 -0.62 0.09 0.00 0.00 178.44 178.28 2r5x n GLU 9 N -3.40 0.13 -0.56 1.13 4.71 -1.26 -2.24 120.64 119.15 2r5x n GLU 9 Ca 0.01 0.23 0.07 0.00 -0.01 0.00 0.00 57.16 57.46 2r5x n GLU 9 Cb 0.55 -1.69 0.31 0.00 -1.01 0.00 0.00 31.44 29.60 2r5x n GLU 9 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2r5x n ASN 10 N -1.93 4.19 -4.67 1.62 6.94 -1.25 -4.67 115.26 115.50 2r5x n ASN 10 Ca 0.05 -2.44 -0.35 0.00 -0.02 0.00 0.00 54.58 51.82 2r5x n ASN 10 Cb 0.31 -0.55 -0.09 0.00 -2.36 0.00 0.00 39.78 37.09 2r5x n ASN 10 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2r5x s GLN 11 N -1.91 3.99 -0.02 -3.83 -1.52 -0.95 -5.07 119.66 110.35 2r5x s GLN 11 Ca 0.43 -0.31 0.05 0.00 -1.95 0.00 0.00 55.36 53.58 2r5x s GLN 11 Cb 0.29 -3.25 -0.03 0.00 -0.22 0.00 0.00 33.01 29.80 2r5x s GLN 11 CO 0.19 0.31 -0.14 0.95 -0.25 0.00 0.00 175.29 176.35 2r5x s THR 12 N 0.28 3.06 -0.11 -0.19 -4.23 -1.26 -2.93 115.64 110.26 2r5x s THR 12 Ca 0.05 -0.86 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 2r5x s THR 12 Cb -0.12 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.51 2r5x s THR 12 CO -0.00 0.50 0.36 0.54 -0.54 0.00 0.00 174.62 175.47 2r5x s VAL 13 N -0.82 0.01 0.17 2.29 0.11 -0.22 -4.93 120.40 117.01 2r5x s VAL 13 Ca 0.13 -0.09 -0.33 0.00 -2.93 0.00 0.00 61.98 58.76 2r5x s VAL 13 Cb -0.11 -0.54 -0.13 0.00 -1.53 0.00 0.00 36.38 34.08 2r5x s VAL 13 CO 0.03 -0.05 1.67 1.21 -3.33 0.00 0.00 175.10 174.62 2r5x n GLU 14 N 2.54 2.47 -0.29 1.54 2.13 -1.26 -0.01 120.64 127.76 2r5x n GLU 14 Ca -0.15 0.89 0.01 0.00 0.66 0.00 0.00 57.16 58.57 2r5x n GLU 14 Cb 0.57 -2.70 0.14 0.00 0.27 0.00 0.00 31.44 29.72 2r5x n GLU 14 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2r5x h LEU 15 N 6.56 0.74 -0.95 4.31 5.85 -0.83 -0.28 115.31 130.71 2r5x h LEU 15 Ca -0.44 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.36 2r5x h LEU 15 Cb 1.23 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2r5x h LEU 15 CO 0.92 0.46 0.61 0.77 -0.34 0.00 0.00 178.44 180.86 2r5x h SER 16 N 0.87 0.98 -0.04 1.25 4.64 -1.82 0.33 113.55 119.76 2r5x h SER 16 Ca 0.37 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.46 2r5x h SER 16 Cb 0.23 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2r5x h SER 16 CO -0.20 0.63 -0.92 0.03 -0.87 0.00 0.00 176.83 175.50 2r5x h ARG 17 N 1.12 0.69 -0.22 4.77 3.08 -1.70 -2.93 114.38 119.20 2r5x h ARG 17 Ca 0.41 -0.70 0.02 0.00 0.07 0.00 0.00 59.98 59.78 2r5x h ARG 17 Cb 0.14 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2r5x h ARG 17 CO -0.16 1.28 0.09 1.25 -1.07 0.00 0.00 179.97 181.37 2r5x h LEU 18 N 0.37 0.13 -0.77 3.04 5.85 -0.59 -2.10 115.31 121.24 2r5x h LEU 18 Ca -0.10 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.77 2r5x h LEU 18 Cb 1.58 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.51 2r5x h LEU 18 CO 0.18 0.10 0.33 0.44 -0.34 0.00 0.00 178.44 179.16 2r5x h ASP 19 N 0.21 0.35 -0.19 1.25 3.32 -0.39 -1.23 116.42 119.73 2r5x h ASP 19 Ca 0.09 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2r5x h ASP 19 Cb 0.04 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2r5x h ASP 19 CO -0.08 0.14 0.03 -0.78 -1.72 0.00 0.00 179.24 176.83 2r5x h ASP 20 N 0.49 0.31 -0.06 6.45 3.58 -1.31 -2.23 116.42 123.66 2r5x h ASP 20 Ca 0.42 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.62 2r5x h ASP 20 Cb 0.61 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2r5x h ASP 20 CO -0.38 0.49 0.01 0.40 -2.88 0.00 0.00 179.24 176.87 2r5x h ILE 21 N 0.12 0.97 -0.57 2.25 2.04 -0.97 -2.51 117.51 118.84 2r5x h ILE 21 Ca 0.06 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 2r5x h ILE 21 Cb 0.31 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2r5x h ILE 21 CO 0.00 0.01 0.10 0.24 0.00 0.00 0.00 178.15 178.50 2r5x h MET 22 N 0.03 0.93 -0.81 2.37 2.86 -1.25 -2.30 114.93 116.77 2r5x h MET 22 Ca 0.03 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 2r5x h MET 22 Cb 0.03 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2r5x h MET 22 CO -0.04 0.89 0.35 1.49 1.06 0.00 0.00 176.91 180.66 2r5x h GLU 23 N 0.83 1.19 0.00 1.72 4.81 -1.37 -0.74 114.58 121.01 2r5x h GLU 23 Ca 0.17 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2r5x h GLU 23 Cb 0.41 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2r5x h GLU 23 CO 0.01 0.94 -0.14 0.00 -0.73 0.00 0.00 179.01 179.09 2r5x h ARG 24 N 1.16 0.00 -0.63 1.92 3.08 -1.21 -2.86 114.38 115.84 2r5x h ARG 24 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2r5x h ARG 24 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2r5x h ARG 24 CO -0.03 0.14 0.00 1.28 -1.07 0.00 0.00 179.97 180.29 2r5x n LEU 25 N -3.50 5.19 0.00 3.04 4.77 -0.75 -4.93 117.00 120.82 2r5x n LEU 25 Ca -0.01 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 2r5x n LEU 25 Cb 0.29 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2r5x n LEU 25 CO 0.30 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 2r5x n GLY 26 N 0.89 0.74 3.86 -0.72 0.00 -1.08 -5.03 105.19 103.85 2r5x n GLY 26 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2r5x n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r5x s PHE 27 N -2.16 3.39 0.16 1.61 0.08 -0.36 -4.59 117.98 116.11 2r5x s PHE 27 Ca 0.00 1.10 0.09 0.00 0.12 0.00 0.00 56.93 58.24 2r5x s PHE 27 Cb 0.00 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 2r5x s PHE 27 CO 0.00 0.14 -0.20 0.14 -0.10 0.00 0.00 175.22 175.20 2r5x s VAL 28 N -1.95 1.94 0.38 -0.44 -7.23 -0.10 -4.21 120.40 108.79 2r5x s VAL 28 Ca 0.52 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 58.55 2r5x s VAL 28 Cb -0.10 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 2r5x s VAL 28 CO 0.19 -0.21 1.27 -0.13 -0.31 0.00 0.00 175.10 175.91 2r5x s ARG 29 N -2.59 4.10 0.22 4.82 1.81 -1.26 -0.69 118.95 125.37 2r5x s ARG 29 Ca 0.15 2.11 -0.00 0.00 -1.72 0.00 0.00 55.73 56.27 2r5x s ARG 29 Cb -0.07 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 2r5x s ARG 29 CO 0.07 -0.36 0.12 0.00 -0.68 0.00 0.00 175.30 174.45 2r5x s ALA 30 N -1.25 1.36 -1.53 2.13 0.00 -0.25 -4.80 121.76 117.41 2r5x s ALA 30 Ca 0.54 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 2r5x s ALA 30 Cb -0.37 1.26 0.03 0.00 0.00 0.00 0.00 23.12 24.04 2r5x s ALA 30 CO 0.48 -0.54 0.31 0.00 0.00 0.00 0.00 175.76 176.00 2r5x n ALA 31 N -0.33 -1.88 1.99 0.00 0.00 -1.26 -4.09 120.51 114.94 2r5x n ALA 31 Ca 0.01 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.26 2r5x n ALA 31 Cb 0.66 -1.50 0.63 0.00 0.00 0.00 0.00 19.45 19.24 2r5x n ALA 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2r5x n GLN 32 N -4.45 1.01 0.21 0.00 6.02 -1.26 -2.35 117.38 116.55 2r5x n GLN 32 Ca -0.25 -0.01 0.12 0.00 -0.01 0.00 0.00 57.00 56.85 2r5x n GLN 32 Cb 0.66 -1.33 0.20 0.00 1.02 0.00 0.00 30.24 30.79 2r5x n GLN 32 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 2r5x h TRP 33 N 0.03 0.00 -3.19 1.08 0.09 -1.96 -3.45 115.95 108.56 2r5x h TRP 33 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 58.41 2r5x h TRP 33 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 29.19 2r5x h TRP 33 CO 0.00 0.00 0.64 0.34 0.09 0.00 0.00 178.44 179.51 2r5x s ASP 34 N -6.00 7.12 0.00 0.11 -1.08 -0.99 -4.94 116.67 110.89 2r5x s ASP 34 Ca 0.07 1.39 0.26 0.00 -0.52 0.00 0.00 52.55 53.76 2r5x s ASP 34 Cb 0.06 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.66 2r5x s ASP 34 CO 0.66 -0.54 1.53 0.00 0.52 0.00 0.00 175.17 177.34 2r5x n TYR 35 N 5.66 0.00 -0.04 -5.34 0.18 -1.26 -4.21 117.16 112.15 2r5x n TYR 35 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 2r5x n TYR 35 Cb 0.47 -0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.30 2r5x n TYR 35 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2r5x n GLU 36 N 0.65 0.98 -4.63 -3.48 1.02 -1.26 -4.42 120.64 109.50 2r5x n GLU 36 Ca 0.17 -0.08 -0.26 0.00 -0.02 0.00 0.00 57.16 56.97 2r5x n GLU 36 Cb 0.46 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 30.34 2r5x n GLU 36 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2r5x s ARG 37 N -2.77 1.41 -0.11 3.49 0.52 -1.26 -2.14 118.95 118.09 2r5x s ARG 37 Ca -0.07 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.10 2r5x s ARG 37 Cb 0.08 -1.57 -0.03 0.00 0.52 0.00 0.00 34.95 33.95 2r5x s ARG 37 CO 0.67 0.40 0.03 0.14 0.02 0.00 0.00 175.30 176.56 2r5x s VAL 38 N -0.85 4.51 -0.04 3.52 -7.23 -0.01 -4.77 120.40 115.53 2r5x s VAL 38 Ca 0.08 -0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.11 2r5x s VAL 38 Cb -0.09 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 33.93 2r5x s VAL 38 CO 0.02 0.58 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.42 2r5x s THR 39 N -0.66 0.80 -0.09 5.32 2.01 -1.26 -1.45 115.64 120.30 2r5x s THR 39 Ca 0.11 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2r5x s THR 39 Cb -0.12 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.67 2r5x s THR 39 CO 0.02 0.26 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.73 2r5x s TYR 40 N 0.42 2.02 -0.09 4.92 2.02 0.40 -1.09 117.35 125.95 2r5x s TYR 40 Ca -0.07 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 55.79 2r5x s TYR 40 Cb -0.11 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2r5x s TYR 40 CO 0.01 -0.40 -0.16 -0.51 -1.57 0.00 0.00 175.55 172.92 2r5x s ASP 41 N 0.68 3.81 -0.29 2.29 1.01 0.14 -0.91 116.67 123.40 2r5x s ASP 41 Ca -0.13 -0.33 -0.07 0.00 0.71 0.00 0.00 52.55 52.74 2r5x s ASP 41 Cb -0.16 -1.22 0.01 0.00 1.01 0.00 0.00 42.92 42.56 2r5x s ASP 41 CO 0.03 0.24 0.08 -0.60 0.21 0.00 0.00 175.17 175.13 2r5x s ARG 42 N -0.10 3.09 0.06 8.23 3.52 0.24 -0.92 118.95 133.07 2r5x s ARG 42 Ca -0.03 -0.86 -0.20 0.00 -0.13 0.00 0.00 55.73 54.51 2r5x s ARG 42 Cb -0.14 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.83 2r5x s ARG 42 CO 0.04 -0.44 0.60 0.15 -0.81 0.00 0.00 175.30 174.84 2r5x s LYS 43 N 1.50 4.27 -0.19 5.12 3.01 -1.26 -0.82 119.74 131.38 2r5x s LYS 43 Ca 0.03 0.78 0.01 0.00 -1.01 0.00 0.00 55.97 55.77 2r5x s LYS 43 Cb -0.17 -3.27 0.04 0.00 -1.01 0.00 0.00 37.83 33.41 2r5x s LYS 43 CO 0.02 0.55 -0.11 0.71 0.51 0.00 0.00 175.35 177.03 2r5x s TYR 44 N -0.81 2.33 0.13 3.18 2.02 0.21 -4.99 117.35 119.43 2r5x s TYR 44 Ca 0.30 -1.49 -0.15 0.00 -0.37 0.00 0.00 57.07 55.37 2r5x s TYR 44 Cb -0.19 -1.62 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 2r5x s TYR 44 CO 0.19 -0.72 0.55 0.14 -1.57 0.00 0.00 175.55 174.14 2r5x s VAL 45 N 1.43 4.85 0.30 0.71 -7.23 -1.26 -0.27 120.40 118.93 2r5x s VAL 45 Ca 0.00 0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 61.00 2r5x s VAL 45 Cb -0.15 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2r5x s VAL 45 CO -0.09 0.29 0.41 0.68 -0.31 0.00 0.00 175.10 176.08 2r5x s VAL 46 N -1.42 0.00 0.23 1.32 -7.23 -0.43 -4.97 120.40 107.91 2r5x s VAL 46 Ca 0.36 -1.65 -0.09 0.00 -1.81 0.00 0.00 61.98 58.79 2r5x s VAL 46 Cb -0.15 -2.51 0.24 0.00 0.56 0.00 0.00 36.38 34.51 2r5x s VAL 46 CO 0.19 0.00 1.65 0.50 -0.31 0.00 0.00 175.10 177.13 2r5x h LYS 47 N 2.22 0.10 -0.00 4.82 3.64 -1.98 -2.55 116.57 122.82 2r5x h LYS 47 Ca -0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2r5x h LYS 47 Cb 1.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2r5x h LYS 47 CO 0.40 0.07 -0.11 -0.85 -2.27 0.00 0.00 179.45 176.68 2r5x n GLU 48 N -5.32 0.79 0.00 1.90 0.00 -1.26 -4.69 120.64 112.06 2r5x n GLU 48 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2r5x n GLU 48 Cb 0.41 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.35 2r5x n GLU 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2r5x n GLY 49 N 1.27 0.51 2.98 -1.84 0.00 -0.96 -0.32 105.19 106.82 2r5x n GLY 49 Ca 0.15 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 2r5x n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r5x s THR 50 N 0.00 0.62 0.04 2.61 2.01 -0.28 -1.31 115.64 119.34 2r5x s THR 50 Ca 0.00 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.74 2r5x s THR 50 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2r5x s THR 50 CO 0.00 0.20 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.80 2r5x s TYR 51 N 0.11 2.99 -0.04 4.92 2.02 0.63 -0.26 117.35 127.72 2r5x s TYR 51 Ca -0.01 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2r5x s TYR 51 Cb -0.06 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2r5x s TYR 51 CO -0.00 0.45 -0.04 1.52 -1.57 0.00 0.00 175.55 175.92 2r5x s TYR 52 N -1.17 0.67 -0.25 2.71 -0.85 -0.39 0.67 117.35 118.73 2r5x s TYR 52 Ca 0.22 -0.17 -0.24 0.00 -0.52 0.00 0.00 57.07 56.36 2r5x s TYR 52 Cb -0.11 -0.62 -0.01 0.00 0.38 0.00 0.00 41.96 41.60 2r5x s TYR 52 CO 0.13 -0.18 0.79 -1.17 -1.52 0.00 0.00 175.55 173.60 2r5x s LEU 53 N 0.96 4.08 -0.20 -3.49 2.96 0.00 -0.90 118.68 122.10 2r5x s LEU 53 Ca -0.10 0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2r5x s LEU 53 Cb -0.14 -3.11 -0.00 0.00 0.50 0.00 0.00 46.19 43.43 2r5x s LEU 53 CO -0.00 -0.50 -0.09 -0.60 -1.32 0.00 0.00 176.35 173.83 2r5x s ARG 54 N 2.80 3.30 -0.16 1.98 3.52 0.32 -0.59 118.95 130.12 2r5x s ARG 54 Ca 0.33 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.23 2r5x s ARG 54 Cb -0.15 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 2r5x s ARG 54 CO 0.08 -0.13 -0.08 0.08 -0.81 0.00 0.00 175.30 174.45 2r5x s VAL 55 N 1.24 3.41 0.11 7.11 1.01 -0.09 -1.94 120.40 131.25 2r5x s VAL 55 Ca 0.03 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2r5x s VAL 55 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2r5x s VAL 55 CO -0.04 0.49 -0.13 -1.58 0.00 0.00 0.00 175.10 173.84 2r5x s GLN 56 N 0.61 0.95 0.07 2.72 0.74 -1.26 -0.46 119.66 123.04 2r5x s GLN 56 Ca -0.05 -1.18 -0.23 0.00 0.05 0.00 0.00 55.36 53.95 2r5x s GLN 56 Cb -0.15 -0.79 0.06 0.00 1.10 0.00 0.00 33.01 33.22 2r5x s GLN 56 CO 0.03 0.15 0.55 0.20 -0.55 0.00 0.00 175.29 175.66 2r5x s GLY 57 N -2.36 -0.48 0.00 2.59 0.00 -0.53 -0.67 107.32 105.87 2r5x s GLY 57 Ca 0.07 0.59 -0.09 0.00 0.00 0.00 0.00 44.72 45.29 2r5x s GLY 57 CO 0.02 0.28 0.31 -0.19 0.00 0.00 0.00 173.10 173.52 2r5x s TYR 58 N -2.76 3.62 -0.77 1.90 2.02 -0.36 -0.83 117.35 120.16 2r5x s TYR 58 Ca -0.04 0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 57.15 2r5x s TYR 58 Cb -0.00 -2.09 0.08 0.00 -0.40 0.00 0.00 41.96 39.55 2r5x s TYR 58 CO -0.04 0.62 1.09 0.00 -1.57 0.00 0.00 175.55 175.65 2r5x s ALA 59 N -1.23 3.09 0.01 3.71 0.00 -0.91 -0.98 121.76 125.45 2r5x s ALA 59 Ca 0.26 -2.06 -0.25 0.00 0.00 0.00 0.00 51.96 49.91 2r5x s ALA 59 Cb -0.14 -4.03 -0.18 0.00 0.00 0.00 0.00 23.12 18.77 2r5x s ALA 59 CO 0.14 -2.98 1.39 -0.84 0.00 0.00 0.00 175.76 173.47 2r5x h ILE 60 N 6.03 1.18 -3.32 0.00 3.07 -1.67 -3.44 117.51 119.36 2r5x h ILE 60 Ca -0.12 -0.76 -0.65 0.00 1.55 0.00 0.00 64.86 64.88 2r5x h ILE 60 Cb 1.05 1.68 -0.12 0.00 -0.27 0.00 0.00 36.82 39.16 2r5x h ILE 60 CO 1.20 0.19 -0.65 -1.61 -1.05 0.00 0.00 178.15 176.23 2r5x s GLU 61 N -4.83 2.63 2.89 0.16 2.02 -1.24 -4.99 118.70 115.34 2r5x s GLU 61 Ca -0.15 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2r5x s GLU 61 Cb 0.03 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2r5x s GLU 61 CO 0.65 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.90 2r5x n GLY 62 N 0.65 -0.20 3.76 -1.39 0.00 -1.26 -1.99 105.19 104.76 2r5x n GLY 62 Ca -0.11 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2r5x n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r5x s ASN 63 N -4.00 -0.25 0.00 1.61 6.03 -1.26 -4.95 114.94 112.13 2r5x s ASN 63 Ca 0.00 -0.62 0.31 0.00 -1.03 0.00 0.00 52.86 51.52 2r5x s ASN 63 Cb 0.00 0.68 1.73 0.00 -3.03 0.00 0.00 41.25 40.63 2r5x s ASN 63 CO 0.00 -1.26 2.13 0.52 -2.03 0.00 0.00 177.10 176.46 2r5x n VAL 64 N -0.43 0.00 0.00 3.54 0.31 -1.26 0.97 118.33 121.46 2r5x n VAL 64 Ca -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2r5x n VAL 64 Cb 0.60 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2r5x n VAL 64 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2r5x n ASP 65 N -0.86 4.44 -4.65 4.52 5.68 -1.26 -4.92 116.55 119.50 2r5x n ASP 65 Ca 0.22 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.08 2r5x n ASP 65 Cb 0.16 0.84 -0.03 0.00 -1.14 0.00 0.00 41.12 40.95 2r5x n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2r5x s SER 66 N -1.89 6.97 0.66 -1.12 1.04 0.27 -4.87 113.70 114.76 2r5x s SER 66 Ca 0.00 1.16 0.18 0.00 0.48 0.00 0.00 55.95 57.77 2r5x s SER 66 Cb 0.00 -2.51 0.94 0.00 0.10 0.00 0.00 66.02 64.54 2r5x s SER 66 CO 0.00 -0.71 1.52 0.08 0.98 0.00 0.00 173.24 175.11 2r5x h ARG 67 N 7.74 0.00 -4.35 4.02 0.11 -1.91 -3.25 114.38 116.74 2r5x h ARG 67 Ca -0.21 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 59.14 2r5x h ARG 67 Cb 1.07 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 31.93 2r5x h ARG 67 CO 0.97 0.00 0.01 0.71 0.10 0.00 0.00 179.97 181.76 2r5x s TYR 68 N -4.11 3.21 -0.15 4.08 1.51 -1.26 -3.32 117.35 117.31 2r5x s TYR 68 Ca -0.02 -1.25 -0.14 0.00 -1.01 0.00 0.00 57.07 54.65 2r5x s TYR 68 Cb 0.06 -3.92 0.04 0.00 -0.11 0.00 0.00 41.96 38.03 2r5x s TYR 68 CO 0.19 -1.15 0.40 0.00 -1.11 0.00 0.00 175.55 173.88 2r5x s ALA 69 N 1.91 -0.99 -0.11 3.71 0.00 -1.23 -3.99 121.76 121.06 2r5x s ALA 69 Ca 0.10 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 2r5x s ALA 69 Cb -0.24 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 2r5x s ALA 69 CO 0.02 -0.19 0.41 -1.17 0.00 0.00 0.00 175.76 174.83 2r5x s LEU 70 N 0.18 4.31 -0.12 0.00 2.96 -0.84 -0.24 118.68 124.92 2r5x s LEU 70 Ca -0.00 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 2r5x s LEU 70 Cb -0.03 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 2r5x s LEU 70 CO 0.01 0.10 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.36 2r5x s ILE 71 N 0.23 2.92 -0.24 6.68 -1.09 0.99 -1.70 121.20 128.99 2r5x s ILE 71 Ca 0.23 -0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 2r5x s ILE 71 Cb -0.15 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 2r5x s ILE 71 CO 0.09 0.54 0.05 -0.75 -1.23 0.00 0.00 174.94 173.63 2r5x s LYS 72 N 0.21 3.63 0.33 2.79 2.36 -0.15 -1.06 119.74 127.85 2r5x s LYS 72 Ca -0.09 -0.49 -0.24 0.00 -2.55 0.00 0.00 55.97 52.60 2r5x s LYS 72 Cb -0.15 -3.25 -0.10 0.00 -1.05 0.00 0.00 37.83 33.28 2r5x s LYS 72 CO 0.05 -0.14 0.91 -0.51 1.55 0.00 0.00 175.35 177.21 2r5x s LEU 73 N 1.46 4.24 0.59 5.43 1.43 -1.15 -1.22 118.68 129.46 2r5x s LEU 73 Ca 0.05 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.94 2r5x s LEU 73 Cb -0.15 -4.08 0.09 0.00 0.03 0.00 0.00 46.19 42.08 2r5x s LEU 73 CO 0.03 -0.13 0.82 -0.76 0.23 0.00 0.00 176.35 176.54 2r5x s LEU 74 N -2.34 3.15 0.04 1.79 1.43 0.16 -4.30 118.68 118.60 2r5x s LEU 74 Ca 0.52 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2r5x s LEU 74 Cb -0.16 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 2r5x s LEU 74 CO 0.21 -1.40 1.63 -0.89 0.23 0.00 0.00 176.35 176.13 2r5x s THR 75 N -2.76 3.21 0.45 5.49 2.01 -1.26 -4.57 115.64 118.21 2r5x s THR 75 Ca 0.62 0.58 -0.25 0.00 0.31 0.00 0.00 61.69 62.95 2r5x s THR 75 Cb -0.06 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 2r5x s THR 75 CO 0.40 -0.01 1.37 -2.84 -0.69 0.00 0.00 174.62 172.84 2r5x s PRO 76 N 2.89 3.70 0.21 4.92 0.02 -1.26 -4.82 135.00 140.66 2r5x s PRO 76 Ca 0.73 2.28 0.07 0.00 0.02 0.00 0.00 61.00 64.10 2r5x s PRO 76 Cb -0.38 -2.62 -0.05 0.00 0.02 0.00 0.00 34.50 31.47 2r5x s PRO 76 CO 0.31 -0.76 -0.11 0.96 -0.33 0.00 0.00 177.00 177.08 2r5x s ILE 77 N -1.25 1.57 -0.17 2.83 -4.36 -0.82 -1.80 121.20 117.21 2r5x s ILE 77 Ca 0.61 -2.16 -0.00 0.00 -0.26 0.00 0.00 60.65 58.85 2r5x s ILE 77 Cb -0.41 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.18 2r5x s ILE 77 CO 0.52 -0.53 -0.15 -0.32 0.24 0.00 0.00 174.94 174.70 2r5x s MET 78 N -3.70 3.20 0.33 0.37 -2.45 0.05 -0.52 119.30 116.58 2r5x s MET 78 Ca 0.24 -0.75 0.07 0.00 -1.25 0.00 0.00 55.69 54.00 2r5x s MET 78 Cb 0.01 -2.66 -0.02 0.00 1.25 0.00 0.00 34.83 33.41 2r5x s MET 78 CO 0.07 -0.04 0.34 0.20 1.05 0.00 0.00 175.02 176.64 2r5x s GLY 79 N 0.96 1.68 0.14 2.11 0.00 -0.08 -1.14 107.32 110.99 2r5x s GLY 79 Ca -0.02 -1.56 0.06 0.00 0.00 0.00 0.00 44.72 43.19 2r5x s GLY 79 CO -0.02 -1.50 -0.14 -1.59 0.00 0.00 0.00 173.10 169.85 2r5x s LYS 80 N -4.04 1.07 -0.18 2.90 0.00 -1.26 -1.27 119.74 116.97 2r5x s LYS 80 Ca 0.41 -1.31 -0.04 0.00 0.00 0.00 0.00 55.97 55.04 2r5x s LYS 80 Cb -0.07 -0.92 0.08 0.00 0.00 0.00 0.00 37.83 36.92 2r5x s LYS 80 CO 0.28 0.17 0.21 -1.58 0.00 0.00 0.00 175.35 174.43 2r5x s HIS 81 N -2.35 -0.25 -0.07 1.78 2.46 0.64 -4.99 115.29 112.50 2r5x s HIS 81 Ca 0.11 0.32 -0.20 0.00 0.47 0.00 0.00 55.06 55.77 2r5x s HIS 81 Cb -0.04 -0.33 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 2r5x s HIS 81 CO 0.03 -0.53 0.55 0.71 -2.47 0.00 0.00 174.74 173.03 2r5x s TYR 82 N 2.32 3.58 -0.28 3.88 2.02 -1.26 -1.12 117.35 126.49 2r5x s TYR 82 Ca 0.06 1.04 -0.22 0.00 -0.37 0.00 0.00 57.07 57.57 2r5x s TYR 82 Cb -0.15 -2.60 0.12 0.00 -0.40 0.00 0.00 41.96 38.93 2r5x s TYR 82 CO -0.11 0.22 0.96 -0.47 -1.57 0.00 0.00 175.55 174.59 2r5x s TYR 83 N 0.36 -0.57 1.03 2.71 5.04 0.56 -4.76 117.35 121.73 2r5x s TYR 83 Ca 0.29 1.30 -0.17 0.00 -2.44 0.00 0.00 57.07 56.05 2r5x s TYR 83 Cb -0.16 0.37 0.25 0.00 0.35 0.00 0.00 41.96 42.76 2r5x s TYR 83 CO 0.14 -0.28 1.12 -0.35 -1.34 0.00 0.00 175.55 174.84 2r5x n PRO 84 N 2.72 -2.15 -3.29 4.97 -0.04 -1.26 -2.84 135.00 133.12 2r5x n PRO 84 Ca -0.14 -1.76 -0.18 0.00 -0.04 0.00 0.00 63.50 61.37 2r5x n PRO 84 Cb 0.56 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2r5x n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2r5x s HIS 85 N -3.25 3.02 0.00 0.54 3.76 -1.26 -4.90 115.29 113.20 2r5x s HIS 85 Ca 0.68 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 2r5x s HIS 85 Cb -0.04 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.50 2r5x s HIS 85 CO 0.50 -0.17 0.00 0.98 -0.85 0.00 0.00 174.74 175.20 2r5x n TYR 89 N -1.74 0.00 -3.43 1.40 4.19 -1.26 -5.24 117.16 111.08 2r5x n TYR 89 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 2r5x n TYR 89 Cb 0.58 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.41 2r5x n TYR 89 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2r5x n GLY 90 N 0.00 -0.88 1.52 2.98 0.00 -1.26 -3.69 105.19 103.87 2r5x n GLY 90 Ca 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 2r5x n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2r5x n ASP 91 N 0.49 3.56 -4.86 1.61 10.43 -1.26 -4.96 116.55 121.57 2r5x n ASP 91 Ca 0.00 -2.75 -0.34 0.00 2.57 0.00 0.00 54.79 54.27 2r5x n ASP 91 Cb 0.00 -0.66 -0.05 0.00 1.84 0.00 0.00 41.12 42.25 2r5x n ASP 91 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2r5x s ASP 92 N -0.37 6.70 -0.07 -2.24 1.01 -1.24 -5.08 116.67 115.38 2r5x s ASP 92 Ca 0.32 0.91 -0.05 0.00 0.71 0.00 0.00 52.55 54.44 2r5x s ASP 92 Cb 0.26 -2.22 0.03 0.00 1.01 0.00 0.00 42.92 41.99 2r5x s ASP 92 CO 0.08 0.10 0.17 -0.70 0.21 0.00 0.00 175.17 175.03 2r5x s GLU 93 N -2.12 0.16 0.04 8.23 2.12 -1.26 -5.04 118.70 120.83 2r5x s GLU 93 Ca 0.38 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 2r5x s GLU 93 Cb -0.14 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.21 2r5x s GLU 93 CO 0.19 -0.09 0.10 -3.38 -0.54 0.00 0.00 175.26 171.54 2r5x s HIS 94 N 0.62 0.18 -0.18 5.30 -3.43 -1.26 -5.15 115.29 111.38 2r5x s HIS 94 Ca -0.04 -0.47 -0.03 0.00 -0.80 0.00 0.00 55.06 53.72 2r5x s HIS 94 Cb -0.06 -0.13 0.06 0.00 -1.43 0.00 0.00 32.58 31.02 2r5x s HIS 94 CO -0.03 -0.36 0.04 -0.06 -2.00 0.00 0.00 174.74 172.32 2r5x s PHE 95 N -2.52 0.92 0.15 0.38 0.08 -1.26 -5.03 117.98 110.70 2r5x s PHE 95 Ca -0.06 -0.73 -0.34 0.00 0.12 0.00 0.00 56.93 55.92 2r5x s PHE 95 Cb -0.02 -0.97 -0.15 0.00 -0.57 0.00 0.00 43.02 41.31 2r5x s PHE 95 CO -0.04 -0.57 1.42 -2.30 -0.10 0.00 0.00 175.22 173.63 2r5x n PRO 96 N 5.08 1.67 -0.29 0.24 -0.02 -1.26 -4.87 135.00 135.55 2r5x n PRO 96 Ca -0.09 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 2r5x n PRO 96 Cb 0.48 -2.28 0.31 0.00 -0.02 0.00 0.00 33.50 31.99 2r5x n PRO 96 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r5x h SER 97 N 4.89 0.78 -0.47 2.55 4.64 -1.99 -1.89 113.55 122.05 2r5x h SER 97 Ca -0.46 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 2r5x h SER 97 Cb 1.30 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2r5x h SER 97 CO 0.81 0.43 0.12 0.77 -0.87 0.00 0.00 176.83 178.09 2r5x h SER 98 N 0.84 0.70 -0.66 4.97 4.64 -1.99 -1.88 113.55 120.17 2r5x h SER 98 Ca 0.44 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 2r5x h SER 98 Cb 0.53 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2r5x h SER 98 CO -0.20 0.74 0.08 -0.07 -0.87 0.00 0.00 176.83 176.51 2r5x h LEU 99 N 0.63 1.07 -0.66 5.97 4.07 -1.84 -0.18 115.31 124.37 2r5x h LEU 99 Ca 0.15 -0.27 0.03 0.00 0.08 0.00 0.00 57.88 57.87 2r5x h LEU 99 Cb 0.31 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 2r5x h LEU 99 CO -0.00 1.07 0.41 0.58 -1.08 0.00 0.00 178.44 179.42 2r5x h VAL 100 N 1.03 1.08 -0.32 1.22 2.07 -1.19 0.76 116.25 120.89 2r5x h VAL 100 Ca 0.20 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 2r5x h VAL 100 Cb 0.48 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2r5x h VAL 100 CO 0.02 0.14 -0.25 0.77 0.02 0.00 0.00 177.57 178.27 2r5x h SER 101 N 0.79 0.78 -0.87 0.57 4.64 -1.07 -1.35 113.55 117.05 2r5x h SER 101 Ca 0.27 -0.45 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2r5x h SER 101 Cb 0.03 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.86 2r5x h SER 101 CO -0.11 1.06 0.56 1.56 -0.87 0.00 0.00 176.83 179.03 2r5x h GLN 102 N 0.50 1.08 -0.50 4.77 4.20 -0.87 -1.30 115.11 123.01 2r5x h GLN 102 Ca 0.06 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2r5x h GLN 102 Cb 0.81 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2r5x h GLN 102 CO 0.07 0.72 0.05 0.00 -0.67 0.00 0.00 178.83 178.99 2r5x h GLN 104 N 0.72 0.63 -0.26 0.00 4.20 -0.92 -0.85 115.11 118.62 2r5x h GLN 104 Ca 0.15 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 2r5x h GLN 104 Cb 0.45 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2r5x h GLN 104 CO 0.02 0.43 -0.34 -0.91 -0.67 0.00 0.00 178.83 177.36 2r5x h ASN 105 N 0.64 0.74 -0.55 1.46 2.35 -0.94 -2.52 115.58 116.76 2r5x h ASN 105 Ca 0.17 -0.50 0.01 0.00 -0.55 0.00 0.00 56.30 55.43 2r5x h ASN 105 Cb -0.04 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 2r5x h ASN 105 CO -0.03 1.10 0.36 0.58 -1.65 0.00 0.00 177.43 177.78 2r5x h VAL 106 N 0.41 1.12 -0.37 2.81 2.07 -0.97 -2.42 116.25 118.90 2r5x h VAL 106 Ca 0.03 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2r5x h VAL 106 Cb 0.92 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2r5x h VAL 106 CO 0.08 0.13 -0.01 -0.07 0.02 0.00 0.00 177.57 177.72 2r5x h LEU 107 N 0.72 0.55 -1.18 2.57 3.38 -1.14 -0.71 115.31 119.51 2r5x h LEU 107 Ca 0.21 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2r5x h LEU 107 Cb -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2r5x h LEU 107 CO -0.06 0.63 -0.17 0.00 0.09 0.00 0.00 178.44 178.93 2r5x h ALA 108 N 1.44 1.31 -0.42 1.53 0.00 -1.28 -1.32 119.26 120.53 2r5x h ALA 108 Ca 0.12 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2r5x h ALA 108 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2r5x h ALA 108 CO 0.01 0.46 -0.31 1.96 0.00 0.00 0.00 179.25 181.38 2r5x h GLN 109 N 0.33 0.95 0.00 0.00 4.20 -0.85 -1.12 115.11 118.64 2r5x h GLN 109 Ca 0.06 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.32 2r5x h GLN 109 Cb 0.50 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2r5x h GLN 109 CO 0.03 1.12 -0.04 0.28 -0.67 0.00 0.00 178.83 179.56 2r5x h VAL 110 N 0.78 0.90 -0.60 -0.54 2.07 -0.78 -2.18 116.25 115.90 2r5x h VAL 110 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2r5x h VAL 110 Cb 0.90 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 2r5x h VAL 110 CO 0.08 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.49 2r5x h LYS 111 N -0.07 0.58 -0.75 1.57 1.63 -1.20 -1.79 116.57 116.54 2r5x h LYS 111 Ca 0.02 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2r5x h LYS 111 Cb 0.09 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.55 2r5x h LYS 111 CO -0.04 0.38 0.46 1.03 -3.45 0.00 0.00 179.45 177.83 2r5x h SER 112 N 0.59 0.90 -0.80 4.20 0.87 -1.05 -1.08 113.55 117.18 2r5x h SER 112 Ca 0.27 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2r5x h SER 112 Cb 0.18 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 2r5x h SER 112 CO -0.18 0.69 0.34 -0.33 -0.53 0.00 0.00 176.83 176.82 2r5x h GLU 113 N 1.02 1.18 -0.38 2.24 4.39 -1.03 -1.77 114.58 120.24 2r5x h GLU 113 Ca 0.27 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 2r5x h GLU 113 Cb -0.04 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 2r5x h GLU 113 CO -0.05 0.94 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.43 2r5x h LEU 114 N 1.16 0.78 -1.03 1.33 3.38 -0.91 -2.89 115.31 117.13 2r5x h LEU 114 Ca 0.27 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2r5x h LEU 114 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2r5x h LEU 114 CO -0.03 0.99 -0.23 -0.33 0.09 0.00 0.00 178.44 178.93 2r5x h GLU 115 N 0.66 0.42 -0.57 1.13 4.39 -0.93 -2.26 114.58 117.42 2r5x h GLU 115 Ca 0.09 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2r5x h GLU 115 Cb 0.75 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 2r5x h GLU 115 CO 0.06 0.63 0.13 0.87 -1.16 0.00 0.00 179.01 179.54 2r5x h LYS 116 N 0.38 0.87 -0.16 2.33 1.57 -1.18 -1.79 116.57 118.60 2r5x h LYS 116 Ca 0.06 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 2r5x h LYS 116 Cb 0.61 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2r5x h LYS 116 CO 0.04 0.78 -0.52 0.82 -0.57 0.00 0.00 179.45 180.01 2r5x h ILE 117 N 0.84 1.33 -0.65 1.86 2.04 -1.30 -2.88 117.51 118.74 2r5x h ILE 117 Ca 0.18 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.28 2r5x h ILE 117 Cb 0.31 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2r5x h ILE 117 CO -0.00 0.54 0.43 0.50 0.00 0.00 0.00 178.15 179.62 2r5x h LYS 118 N 0.35 0.85 0.13 2.37 1.63 -1.07 -3.19 116.57 117.64 2r5x h LYS 118 Ca 0.01 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2r5x h LYS 118 Cb 1.03 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2r5x h LYS 118 CO 0.09 0.56 -0.06 0.93 -3.45 0.00 0.00 179.45 177.53 2r5x h GLU 119 N 0.88 -0.17 0.00 1.90 4.39 -1.19 -3.51 114.58 116.88 2r5x h GLU 119 Ca 0.24 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2r5x h GLU 119 Cb -0.09 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2r5x h GLU 119 CO -0.06 -0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.88