#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 4.39 0.24 1.04 2.96 -1.21 -4.97 118.68 121.13 2r5x s LEU 1 Ca 0.00 1.61 0.10 0.00 -0.22 0.00 0.00 54.13 55.61 2r5x s LEU 1 Cb 0.00 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2r5x s LEU 1 CO 0.00 -0.19 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.22 2r5x s LYS 2 N 0.75 2.07 -0.32 1.98 1.02 -1.26 -0.58 119.74 123.40 2r5x s LYS 2 Ca 0.48 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 55.05 2r5x s LYS 2 Cb -0.21 -2.07 0.08 0.00 -0.52 0.00 0.00 37.83 35.11 2r5x s LYS 2 CO 0.27 0.38 0.01 -0.06 -0.92 0.00 0.00 175.35 175.03 2r5x s PHE 3 N -2.13 3.51 0.48 3.18 0.08 -0.35 -4.93 117.98 117.81 2r5x s PHE 3 Ca 0.29 -2.53 -0.04 0.00 0.12 0.00 0.00 56.93 54.76 2r5x s PHE 3 Cb -0.07 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.83 2r5x s PHE 3 CO 0.17 -0.91 0.77 -1.21 -0.10 0.00 0.00 175.22 173.94 2r5x s GLU 4 N 1.05 3.40 -1.70 0.44 0.41 -1.26 -4.23 118.70 116.81 2r5x s GLU 4 Ca 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 54.97 54.61 2r5x s GLU 4 Cb -0.20 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 2r5x s GLU 4 CO -0.05 -0.25 0.20 0.09 -0.49 0.00 0.00 175.26 174.75 2r5x n ASN 5 N -2.24 -5.94 0.20 -0.19 3.02 -1.26 -4.88 115.26 103.96 2r5x n ASN 5 Ca 0.01 -0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.55 2r5x n ASN 5 Cb 0.56 -4.90 0.13 0.00 -0.61 0.00 0.00 39.78 34.96 2r5x n ASN 5 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2r5x h THR 6 N -0.45 0.21 0.00 3.41 1.35 -1.99 -3.48 112.91 111.96 2r5x h THR 6 Ca -0.50 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2r5x h THR 6 Cb 1.36 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.87 2r5x h THR 6 CO 0.58 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 2r5x n GLY 7 N 1.13 1.08 0.19 5.82 0.00 -1.26 -4.88 105.19 107.28 2r5x n GLY 7 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.22 0.00 0.99 3.38 -1.93 -2.92 115.31 115.05 2r5x h LEU 8 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2r5x h LEU 8 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2r5x h LEU 8 CO 0.00 0.62 0.00 -0.62 0.09 0.00 0.00 178.44 178.53 2r5x n GLU 9 N -4.02 0.61 0.00 1.13 4.71 -1.26 -3.65 120.64 118.17 2r5x n GLU 9 Ca -0.02 0.02 0.11 0.00 -0.01 0.00 0.00 57.16 57.27 2r5x n GLU 9 Cb 0.48 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.40 2r5x n GLU 9 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2r5x n ASN 10 N -1.13 1.75 -3.92 1.62 3.02 -1.10 -4.84 115.26 110.65 2r5x n ASN 10 Ca 0.16 -1.36 -0.10 0.00 -0.03 0.00 0.00 54.58 53.25 2r5x n ASN 10 Cb 0.14 0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 39.80 2r5x n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r5x s GLN 11 N -2.61 0.58 0.25 3.52 0.00 -1.24 -5.16 119.66 115.00 2r5x s GLN 11 Ca 0.16 -0.71 0.07 0.00 -0.00 0.00 0.00 55.36 54.88 2r5x s GLN 11 Cb 0.18 0.23 -0.04 0.00 0.00 0.00 0.00 33.01 33.38 2r5x s GLN 11 CO 0.64 -0.14 0.22 0.95 0.00 0.00 0.00 175.29 176.95 2r5x s THR 12 N -2.46 4.54 -0.08 3.63 -4.23 -1.26 -4.34 115.64 111.45 2r5x s THR 12 Ca -0.06 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 2r5x s THR 12 Cb -0.02 -3.46 0.04 0.00 1.34 0.00 0.00 72.50 70.40 2r5x s THR 12 CO -0.04 -0.35 0.39 0.54 -0.54 0.00 0.00 174.62 174.62 2r5x s VAL 13 N -2.12 0.03 0.30 2.29 0.11 -0.58 -4.96 120.40 115.48 2r5x s VAL 13 Ca 0.33 -0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 2r5x s VAL 13 Cb -0.08 -0.64 -0.10 0.00 -1.53 0.00 0.00 36.38 34.03 2r5x s VAL 13 CO 0.25 -0.12 1.34 -0.70 -3.33 0.00 0.00 175.10 172.54 2r5x s GLU 14 N -0.65 4.33 0.19 1.54 2.12 -1.26 0.11 118.70 125.09 2r5x s GLU 14 Ca -0.07 2.23 -0.11 0.00 0.36 0.00 0.00 54.97 57.37 2r5x s GLU 14 Cb -0.04 -3.09 0.15 0.00 0.26 0.00 0.00 34.13 31.42 2r5x s GLU 14 CO 0.03 -0.26 1.83 1.25 -0.54 0.00 0.00 175.26 177.58 2r5x h LEU 15 N 3.94 0.63 -1.13 2.70 5.85 -1.12 -1.11 115.31 125.06 2r5x h LEU 15 Ca -0.48 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.27 2r5x h LEU 15 Cb 1.22 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2r5x h LEU 15 CO 0.69 0.44 0.59 0.77 -0.34 0.00 0.00 178.44 180.59 2r5x h SER 16 N 0.76 0.98 0.10 1.25 4.64 -1.84 0.25 113.55 119.69 2r5x h SER 16 Ca 0.25 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.38 2r5x h SER 16 Cb 0.02 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2r5x h SER 16 CO -0.10 0.68 -0.63 0.03 -0.87 0.00 0.00 176.83 175.93 2r5x h ARG 17 N 1.14 0.51 -0.06 4.77 3.08 -1.78 -2.55 114.38 119.50 2r5x h ARG 17 Ca 0.35 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2r5x h ARG 17 Cb -0.01 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2r5x h ARG 17 CO -0.10 0.98 0.01 1.25 -1.07 0.00 0.00 179.97 181.04 2r5x h LEU 18 N 0.38 0.09 -0.60 3.04 5.85 -0.45 -2.80 115.31 120.82 2r5x h LEU 18 Ca -0.01 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.56 2r5x h LEU 18 Cb 1.20 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 2r5x h LEU 18 CO 0.12 0.33 0.13 0.44 -0.34 0.00 0.00 178.44 179.12 2r5x h ASP 19 N -0.16 0.01 -0.23 1.25 3.32 -0.53 -0.40 116.42 119.68 2r5x h ASP 19 Ca 0.02 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2r5x h ASP 19 Cb 0.28 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2r5x h ASP 19 CO 0.00 0.01 0.15 -0.78 -1.72 0.00 0.00 179.24 176.90 2r5x h ASP 20 N 0.26 0.27 -0.22 6.45 3.58 -1.47 -2.24 116.42 123.06 2r5x h ASP 20 Ca 0.32 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2r5x h ASP 20 Cb 0.47 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2r5x h ASP 20 CO -0.40 0.20 0.13 0.40 -2.88 0.00 0.00 179.24 176.69 2r5x h ILE 21 N 0.31 1.08 -0.38 2.25 2.04 -1.14 -2.75 117.51 118.92 2r5x h ILE 21 Ca 0.08 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2r5x h ILE 21 Cb -0.03 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2r5x h ILE 21 CO -0.02 0.08 0.21 0.24 0.00 0.00 0.00 178.15 178.66 2r5x h MET 22 N 0.27 0.53 -0.78 2.37 2.86 -1.00 -2.03 114.93 117.16 2r5x h MET 22 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2r5x h MET 22 Cb 0.01 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 2r5x h MET 22 CO -0.02 0.43 0.43 1.49 1.06 0.00 0.00 176.91 180.31 2r5x h GLU 23 N 0.49 1.07 -0.70 1.72 4.81 -1.40 0.36 114.58 120.94 2r5x h GLU 23 Ca 0.14 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2r5x h GLU 23 Cb 0.05 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 2r5x h GLU 23 CO -0.02 0.78 0.28 -0.09 -0.73 0.00 0.00 179.01 179.23 2r5x h ARG 24 N 1.08 1.03 -0.63 1.92 2.43 -1.21 -2.90 114.38 116.10 2r5x h ARG 24 Ca 0.28 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2r5x h ARG 24 Cb 0.01 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2r5x h ARG 24 CO -0.05 0.83 0.00 1.28 -1.51 0.00 0.00 179.97 180.52 2r5x n LEU 25 N -4.30 3.78 0.00 3.80 4.77 -0.79 -4.91 117.00 119.36 2r5x n LEU 25 Ca 0.06 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 2r5x n LEU 25 Cb 0.17 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2r5x n LEU 25 CO 0.40 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2r5x n GLY 26 N 0.87 0.74 3.85 -0.72 0.00 -1.02 -5.05 105.19 103.86 2r5x n GLY 26 Ca 0.19 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.57 0.19 1.61 0.08 0.07 -4.58 117.98 116.92 2r5x s PHE 27 Ca 0.00 1.01 0.10 0.00 0.12 0.00 0.00 56.93 58.16 2r5x s PHE 27 Cb 0.00 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2r5x s PHE 27 CO 0.00 0.41 -0.16 0.14 -0.10 0.00 0.00 175.22 175.51 2r5x s VAL 28 N -1.51 2.81 0.41 -0.44 -7.23 -0.16 -4.00 120.40 110.28 2r5x s VAL 28 Ca 0.39 -1.85 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 2r5x s VAL 28 Cb -0.14 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 2r5x s VAL 28 CO 0.19 -0.13 1.29 -0.13 -0.31 0.00 0.00 175.10 176.02 2r5x s ARG 29 N -2.79 3.95 0.27 4.82 1.81 -1.26 -0.58 118.95 125.17 2r5x s ARG 29 Ca 0.23 2.13 0.02 0.00 -1.72 0.00 0.00 55.73 56.39 2r5x s ARG 29 Cb -0.08 -2.73 -0.04 0.00 -0.45 0.00 0.00 34.95 31.64 2r5x s ARG 29 CO 0.13 -0.50 0.15 0.00 -0.68 0.00 0.00 175.30 174.40 2r5x s ALA 30 N -1.28 1.73 -1.51 2.13 0.00 0.22 -4.78 121.76 118.27 2r5x s ALA 30 Ca 0.57 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 2r5x s ALA 30 Cb -0.37 1.21 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2r5x s ALA 30 CO 0.48 -0.53 0.14 0.00 0.00 0.00 0.00 175.76 175.85 2r5x n ALA 31 N -0.49 -1.99 1.90 0.00 0.00 -1.26 -4.12 120.51 114.54 2r5x n ALA 31 Ca 0.01 -0.37 0.15 0.00 0.00 0.00 0.00 53.44 53.24 2r5x n ALA 31 Cb 0.65 -1.04 0.90 0.00 0.00 0.00 0.00 19.45 19.96 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 -4.52 0.95 0.17 0.00 6.02 -1.26 -2.56 117.38 116.17 2r5x n GLN 32 Ca -0.32 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.71 2r5x n GLN 32 Cb 0.69 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.72 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 0.00 0.00 -2.94 1.08 0.09 -1.96 -3.44 115.95 108.78 2r5x h TRP 33 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.42 2r5x h TRP 33 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.22 2r5x h TRP 33 CO 0.00 0.44 0.84 0.34 0.09 0.00 0.00 178.44 180.16 2r5x s ASP 34 N -6.51 6.94 0.00 0.11 -1.08 -1.06 -4.92 116.67 110.15 2r5x s ASP 34 Ca 0.00 1.85 0.24 0.00 -0.52 0.00 0.00 52.55 54.12 2r5x s ASP 34 Cb 0.11 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.29 2r5x s ASP 34 CO 0.71 -0.71 1.25 0.00 0.52 0.00 0.00 175.17 176.94 2r5x n TYR 35 N 6.00 0.00 -0.03 -5.34 0.18 -1.26 -4.17 117.16 112.54 2r5x n TYR 35 Ca 0.13 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.82 2r5x n TYR 35 Cb 0.45 -0.14 -0.14 0.00 -0.38 0.00 0.00 39.34 39.12 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 -1.32 0.64 -4.54 -3.48 1.02 -1.26 -4.28 120.64 107.43 2r5x n GLU 36 Ca 0.06 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.18 2r5x n GLU 36 Cb 0.34 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.58 1.44 -0.10 3.49 0.52 -1.26 -2.44 118.95 118.02 2r5x s ARG 37 Ca -0.06 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 53.93 2r5x s ARG 37 Cb 0.08 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.76 2r5x s ARG 37 CO 0.82 0.43 0.03 0.14 0.02 0.00 0.00 175.30 176.74 2r5x s VAL 38 N -0.98 4.55 -0.02 3.52 -7.23 0.90 -4.76 120.40 116.38 2r5x s VAL 38 Ca 0.11 -0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.15 2r5x s VAL 38 Cb -0.10 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2r5x s VAL 38 CO 0.04 0.60 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.46 2r5x s THR 39 N -0.80 0.69 -0.05 5.32 2.01 -1.26 -1.07 115.64 120.48 2r5x s THR 39 Ca 0.12 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2r5x s THR 39 Cb -0.12 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.79 2r5x s THR 39 CO 0.02 0.22 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.76 2r5x s TYR 40 N 0.13 1.26 -0.06 4.92 2.02 0.62 -0.61 117.35 125.64 2r5x s TYR 40 Ca -0.02 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 2r5x s TYR 40 Cb -0.07 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 2r5x s TYR 40 CO 0.00 -0.22 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.05 2r5x s ASP 41 N 0.59 3.49 -0.20 2.29 1.01 0.25 -0.96 116.67 123.14 2r5x s ASP 41 Ca -0.12 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 52.75 2r5x s ASP 41 Cb -0.14 -0.85 0.01 0.00 1.01 0.00 0.00 42.92 42.94 2r5x s ASP 41 CO 0.02 0.28 -0.12 -0.60 0.21 0.00 0.00 175.17 174.96 2r5x s ARG 42 N -0.36 3.19 -0.03 8.23 3.52 -0.33 -0.99 118.95 132.18 2r5x s ARG 42 Ca 0.03 -0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 54.74 2r5x s ARG 42 Cb -0.12 -2.79 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 2r5x s ARG 42 CO 0.02 -0.20 0.42 0.15 -0.81 0.00 0.00 175.30 174.88 2r5x s LYS 43 N 1.37 4.03 -0.38 5.12 1.02 -1.26 -0.53 119.74 129.12 2r5x s LYS 43 Ca 0.05 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.49 2r5x s LYS 43 Cb -0.14 -3.27 0.11 0.00 -0.52 0.00 0.00 37.83 34.01 2r5x s LYS 43 CO -0.08 0.56 0.11 0.71 -0.92 0.00 0.00 175.35 175.73 2r5x s TYR 44 N -0.66 3.29 0.17 3.18 2.02 0.18 -4.99 117.35 120.52 2r5x s TYR 44 Ca 0.24 -2.84 -0.27 0.00 -0.37 0.00 0.00 57.07 53.83 2r5x s TYR 44 Cb -0.16 -2.69 -0.08 0.00 -0.40 0.00 0.00 41.96 38.63 2r5x s TYR 44 CO 0.12 -0.89 0.83 0.14 -1.57 0.00 0.00 175.55 174.19 2r5x s VAL 45 N 0.74 4.35 0.35 0.71 -7.23 -1.26 -1.03 120.40 117.02 2r5x s VAL 45 Ca 0.12 1.83 0.07 0.00 -1.81 0.00 0.00 61.98 62.19 2r5x s VAL 45 Cb -0.20 -4.20 -0.03 0.00 0.56 0.00 0.00 36.38 32.51 2r5x s VAL 45 CO -0.08 0.48 0.27 1.33 -0.31 0.00 0.00 175.10 176.78 2r5x n VAL 46 N 1.82 0.00 -0.23 1.32 0.24 0.44 -4.98 118.33 116.94 2r5x n VAL 46 Ca -0.04 -2.45 0.02 0.00 -2.04 0.00 0.00 64.34 59.83 2r5x n VAL 46 Cb 0.48 1.18 0.14 0.00 -1.47 0.00 0.00 33.84 34.18 2r5x n VAL 46 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2r5x h LYS 47 N 0.00 0.45 0.00 7.34 3.64 -1.97 -2.72 116.57 123.31 2r5x h LYS 47 Ca -0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2r5x h LYS 47 Cb 1.21 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2r5x h LYS 47 CO 0.37 0.29 -0.29 -0.85 -2.27 0.00 0.00 179.45 176.70 2r5x n GLU 48 N -4.97 0.26 0.00 1.90 0.00 -1.26 -4.56 120.64 112.00 2r5x n GLU 48 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.41 2r5x n GLU 48 Cb 0.32 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 30.03 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 1.34 -0.25 2.88 -1.84 0.00 -1.03 -0.13 105.19 106.16 2r5x n GLY 49 Ca 0.05 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.02 0.71 -0.00 2.61 2.01 0.20 -0.42 115.64 120.73 2r5x s THR 50 Ca 0.00 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 61.77 2r5x s THR 50 Cb 0.00 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2r5x s THR 50 CO 0.00 0.29 0.28 -0.31 -0.69 0.00 0.00 174.62 174.19 2r5x s TYR 51 N 1.35 3.60 -0.05 4.92 2.02 -0.20 -0.36 117.35 128.63 2r5x s TYR 51 Ca -0.03 0.63 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 2r5x s TYR 51 Cb -0.14 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 2r5x s TYR 51 CO -0.03 0.62 -0.03 1.52 -1.57 0.00 0.00 175.55 176.06 2r5x s TYR 52 N -1.25 0.66 -0.33 2.71 -0.85 -0.59 0.49 117.35 118.19 2r5x s TYR 52 Ca 0.26 -0.17 -0.23 0.00 -0.52 0.00 0.00 57.07 56.41 2r5x s TYR 52 Cb -0.13 -0.64 0.00 0.00 0.38 0.00 0.00 41.96 41.57 2r5x s TYR 52 CO 0.14 -0.20 0.78 -1.17 -1.52 0.00 0.00 175.55 173.59 2r5x s LEU 53 N 1.07 4.10 -0.22 -3.49 2.96 0.31 -1.09 118.68 122.33 2r5x s LEU 53 Ca -0.09 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.32 2r5x s LEU 53 Cb -0.14 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 2r5x s LEU 53 CO -0.01 -0.66 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.75 2r5x s ARG 54 N 3.01 3.48 -0.13 1.98 3.52 0.51 -1.18 118.95 130.14 2r5x s ARG 54 Ca 0.32 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.33 2r5x s ARG 54 Cb -0.14 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 2r5x s ARG 54 CO 0.14 -0.13 -0.10 0.08 -0.81 0.00 0.00 175.30 174.48 2r5x s VAL 55 N 1.34 3.34 0.03 7.11 1.01 -0.13 -1.68 120.40 131.42 2r5x s VAL 55 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2r5x s VAL 55 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2r5x s VAL 55 CO -0.01 0.52 -0.06 -1.58 0.00 0.00 0.00 175.10 173.97 2r5x s GLN 56 N 0.27 0.45 0.04 2.72 0.74 -1.26 -0.27 119.66 122.35 2r5x s GLN 56 Ca -0.07 -0.59 -0.12 0.00 0.05 0.00 0.00 55.36 54.63 2r5x s GLN 56 Cb -0.15 -0.23 0.01 0.00 1.10 0.00 0.00 33.01 33.74 2r5x s GLN 56 CO 0.05 0.04 0.26 0.20 -0.55 0.00 0.00 175.29 175.28 2r5x s GLY 57 N -1.22 -0.05 0.17 2.59 0.00 -0.23 -0.22 107.32 108.36 2r5x s GLY 57 Ca -0.08 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.56 2r5x s GLY 57 CO 0.00 -0.33 0.19 -2.52 0.00 0.00 0.00 173.10 170.45 2r5x s TYR 58 N -2.59 3.25 -0.70 1.90 1.13 -0.71 -0.07 117.35 119.57 2r5x s TYR 58 Ca -0.05 0.01 -0.26 0.00 -1.41 0.00 0.00 57.07 55.36 2r5x s TYR 58 Cb -0.01 -1.54 0.04 0.00 -1.10 0.00 0.00 41.96 39.35 2r5x s TYR 58 CO -0.04 0.51 1.18 0.00 -2.51 0.00 0.00 175.55 174.70 2r5x s ALA 59 N -1.80 2.87 -0.04 9.51 0.00 -1.02 -1.36 121.76 129.92 2r5x s ALA 59 Ca 0.32 -1.44 0.13 0.00 0.00 0.00 0.00 51.96 50.98 2r5x s ALA 59 Cb -0.10 -4.13 0.08 0.00 0.00 0.00 0.00 23.12 18.97 2r5x s ALA 59 CO 0.25 -3.08 1.44 0.97 0.00 0.00 0.00 175.76 175.34 2r5x h ILE 60 N 6.03 1.08 -3.93 0.00 2.10 -1.28 -3.45 117.51 118.05 2r5x h ILE 60 Ca -0.28 -2.42 -0.24 0.00 1.08 0.00 0.00 64.86 63.00 2r5x h ILE 60 Cb 1.06 2.46 -0.23 0.00 -1.09 0.00 0.00 36.82 39.02 2r5x h ILE 60 CO 1.24 0.60 -0.72 -1.61 -1.08 0.00 0.00 178.15 176.57 2r5x s GLU 61 N -2.99 0.37 2.70 2.19 2.02 -1.15 -4.98 118.70 116.86 2r5x s GLU 61 Ca 0.03 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.49 2r5x s GLU 61 Cb 0.09 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.18 2r5x s GLU 61 CO 0.76 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2r5x n GLY 62 N 1.92 -0.09 3.16 -1.39 0.00 -1.26 -0.50 105.19 107.03 2r5x n GLY 62 Ca -0.20 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 0.31 0.42 1.61 4.22 -1.26 -4.90 114.94 111.33 2r5x s ASN 63 Ca 0.00 -1.13 0.16 0.00 -2.14 0.00 0.00 52.86 49.75 2r5x s ASN 63 Cb 0.00 0.30 1.05 0.00 1.28 0.00 0.00 41.25 43.87 2r5x s ASN 63 CO 0.00 -0.73 1.89 0.58 -2.04 0.00 0.00 177.10 176.80 2r5x h VAL 64 N 2.87 0.75 -0.05 3.54 2.07 -1.92 -1.21 116.25 122.30 2r5x h VAL 64 Ca -0.35 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2r5x h VAL 64 Cb 1.19 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2r5x h VAL 64 CO 0.59 0.08 0.00 0.47 0.02 0.00 0.00 177.57 178.73 2r5x n ASP 65 N -4.50 0.87 -4.85 0.57 10.43 -1.26 -4.87 116.55 112.95 2r5x n ASP 65 Ca 0.17 -1.45 -0.32 0.00 2.57 0.00 0.00 54.79 55.76 2r5x n ASP 65 Cb 0.60 -0.03 -0.06 0.00 1.84 0.00 0.00 41.12 43.47 2r5x n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2r5x s SER 66 N -1.76 5.99 0.08 -2.24 0.15 -0.46 -5.02 113.70 110.44 2r5x s SER 66 Ca 0.36 0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.97 2r5x s SER 66 Cb 0.18 -1.77 -0.14 0.00 -1.71 0.00 0.00 66.02 62.57 2r5x s SER 66 CO 0.29 0.22 1.67 -0.09 1.20 0.00 0.00 173.24 176.53 2r5x h ARG 67 N 3.60 0.05 -5.71 5.44 2.43 -1.89 -3.36 114.38 114.94 2r5x h ARG 67 Ca -0.47 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.06 2r5x h ARG 67 Cb 1.17 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 2r5x h ARG 67 CO 0.68 0.11 0.33 -0.47 -1.51 0.00 0.00 179.97 179.11 2r5x s TYR 68 N -5.88 2.99 -0.01 2.20 5.04 -1.26 -3.37 117.35 117.06 2r5x s TYR 68 Ca -0.13 0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.56 2r5x s TYR 68 Cb 0.06 -3.65 -0.00 0.00 0.35 0.00 0.00 41.96 38.71 2r5x s TYR 68 CO 0.67 -1.01 0.06 0.00 -1.34 0.00 0.00 175.55 173.93 2r5x s ALA 69 N 3.26 -0.13 -0.23 3.97 0.00 -1.26 -4.38 121.76 123.00 2r5x s ALA 69 Ca 0.28 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 2r5x s ALA 69 Cb -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2r5x s ALA 69 CO 0.22 -0.11 0.28 -1.17 0.00 0.00 0.00 175.76 174.98 2r5x s LEU 70 N -0.75 4.13 -0.19 0.00 2.96 0.35 -0.71 118.68 124.45 2r5x s LEU 70 Ca -0.08 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2r5x s LEU 70 Cb -0.05 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 2r5x s LEU 70 CO 0.00 -0.02 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.38 2r5x s ILE 71 N 1.26 3.97 -0.31 6.68 -1.09 0.12 -0.71 121.20 131.12 2r5x s ILE 71 Ca 0.13 -0.31 -0.11 0.00 -2.23 0.00 0.00 60.65 58.13 2r5x s ILE 71 Cb -0.14 -2.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2r5x s ILE 71 CO 0.07 0.44 0.18 -0.75 -1.23 0.00 0.00 174.94 173.65 2r5x s LYS 72 N 0.89 3.57 0.32 2.79 2.36 -0.46 -1.53 119.74 127.69 2r5x s LYS 72 Ca 0.01 -0.57 -0.27 0.00 -2.55 0.00 0.00 55.97 52.59 2r5x s LYS 72 Cb -0.14 -3.64 -0.09 0.00 -1.05 0.00 0.00 37.83 32.90 2r5x s LYS 72 CO 0.02 -0.35 1.00 -0.51 1.55 0.00 0.00 175.35 177.07 2r5x s LEU 73 N 1.69 4.37 0.56 5.43 1.43 -1.26 -1.73 118.68 129.17 2r5x s LEU 73 Ca 0.06 2.00 0.09 0.00 -1.03 0.00 0.00 54.13 55.25 2r5x s LEU 73 Cb -0.17 -3.93 0.08 0.00 0.03 0.00 0.00 46.19 42.21 2r5x s LEU 73 CO 0.09 -0.17 0.78 -0.76 0.23 0.00 0.00 176.35 176.51 2r5x s LEU 74 N -1.97 3.15 -0.00 1.79 1.43 0.70 -4.15 118.68 119.62 2r5x s LEU 74 Ca 0.50 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 2r5x s LEU 74 Cb -0.23 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 2r5x s LEU 74 CO 0.30 -1.31 1.55 -0.89 0.23 0.00 0.00 176.35 176.23 2r5x s THR 75 N -2.65 3.48 0.52 5.49 2.01 -1.26 -4.66 115.64 118.56 2r5x s THR 75 Ca 0.61 0.80 -0.22 0.00 0.31 0.00 0.00 61.69 63.20 2r5x s THR 75 Cb -0.06 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 2r5x s THR 75 CO 0.39 -0.03 1.25 -2.84 -0.69 0.00 0.00 174.62 172.70 2r5x s PRO 76 N 3.02 3.38 0.21 4.92 0.02 -1.26 -4.85 135.00 140.45 2r5x s PRO 76 Ca 0.70 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.74 2r5x s PRO 76 Cb -0.34 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 31.86 2r5x s PRO 76 CO 0.29 -0.91 -0.11 0.96 -0.33 0.00 0.00 177.00 176.89 2r5x s ILE 77 N -1.46 1.61 -0.25 2.83 -4.36 -0.68 -1.21 121.20 117.68 2r5x s ILE 77 Ca 0.69 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.91 2r5x s ILE 77 Cb -0.33 -2.12 0.03 0.00 1.25 0.00 0.00 42.46 41.29 2r5x s ILE 77 CO 0.39 -0.54 -0.08 -0.32 0.24 0.00 0.00 174.94 174.63 2r5x s MET 78 N -3.69 2.73 0.45 0.37 -2.45 0.25 -0.36 119.30 116.60 2r5x s MET 78 Ca 0.23 -1.04 -0.01 0.00 -1.25 0.00 0.00 55.69 53.62 2r5x s MET 78 Cb 0.01 -2.94 -0.01 0.00 1.25 0.00 0.00 34.83 33.13 2r5x s MET 78 CO 0.07 -0.42 0.69 0.20 1.05 0.00 0.00 175.02 176.60 2r5x s GLY 79 N 1.28 1.52 -0.04 2.11 0.00 -0.25 -3.19 107.32 108.75 2r5x s GLY 79 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2r5x s GLY 79 CO -0.05 -0.76 -0.01 1.25 0.00 0.00 0.00 173.10 173.52 2r5x s LYS 80 N -4.58 0.49 -0.15 2.90 2.20 -1.26 -1.55 119.74 117.79 2r5x s LYS 80 Ca 0.47 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 2r5x s LYS 80 Cb -0.10 -0.67 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 2r5x s LYS 80 CO 0.39 -0.15 -0.09 -1.58 -0.36 0.00 0.00 175.35 173.55 2r5x s HIS 81 N 1.19 1.93 -0.13 4.03 5.65 0.51 -5.02 115.29 123.44 2r5x s HIS 81 Ca -0.07 -1.14 -0.29 0.00 0.25 0.00 0.00 55.06 53.80 2r5x s HIS 81 Cb -0.13 -1.44 -0.01 0.00 -1.18 0.00 0.00 32.58 29.81 2r5x s HIS 81 CO -0.02 -0.63 1.01 0.71 -0.65 0.00 0.00 174.74 175.16 2r5x s TYR 82 N 1.56 3.48 -0.22 3.88 2.02 -1.26 -0.63 117.35 126.17 2r5x s TYR 82 Ca 0.03 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.16 2r5x s TYR 82 Cb -0.14 -3.20 0.07 0.00 -0.40 0.00 0.00 41.96 38.29 2r5x s TYR 82 CO -0.09 -0.28 0.53 -0.47 -1.57 0.00 0.00 175.55 173.68 2r5x s TYR 83 N 2.25 -0.83 -0.71 2.71 5.04 0.82 -3.85 117.35 122.78 2r5x s TYR 83 Ca 0.47 1.69 -0.24 0.00 -2.44 0.00 0.00 57.07 56.55 2r5x s TYR 83 Cb -0.18 0.44 0.06 0.00 0.35 0.00 0.00 41.96 42.63 2r5x s TYR 83 CO 0.15 -0.44 1.09 -1.25 -1.34 0.00 0.00 175.55 173.77 2r5x s PRO 84 N 1.62 3.17 0.25 4.97 0.05 -1.26 -2.83 135.00 140.97 2r5x s PRO 84 Ca -0.09 -0.66 0.00 0.00 0.05 0.00 0.00 61.00 60.30 2r5x s PRO 84 Cb -0.07 -4.26 0.00 0.00 0.05 0.00 0.00 34.50 30.21 2r5x s PRO 84 CO -0.16 -1.94 0.00 1.58 0.05 0.00 0.00 177.00 176.53 2r5x n HIS 85 N 8.29 -3.52 0.00 0.56 -0.00 -1.25 -5.10 115.22 114.20 2r5x n HIS 85 Ca 0.00 1.89 0.00 0.00 0.46 0.00 0.00 57.72 60.07 2r5x n HIS 85 Cb 0.47 -2.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.56 2r5x n HIS 85 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2r5x n ASP 92 N 0.80 0.00 -4.75 0.26 2.03 -1.26 -4.97 116.55 108.67 2r5x n ASP 92 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2r5x n ASP 92 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2r5x n ASP 92 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2r5x s GLU 93 N 0.00 4.73 -0.27 -0.67 2.02 -1.26 -5.03 118.70 118.22 2r5x s GLU 93 Ca 0.00 1.64 -0.11 0.00 0.02 0.00 0.00 54.97 56.52 2r5x s GLU 93 Cb 0.00 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 2r5x s GLU 93 CO 0.00 0.32 0.19 -1.01 0.02 0.00 0.00 175.26 174.78 2r5x s HIS 94 N -0.98 3.25 -0.19 1.61 3.76 -1.26 -5.08 115.29 116.41 2r5x s HIS 94 Ca 0.44 0.16 -0.08 0.00 -0.15 0.00 0.00 55.06 55.43 2r5x s HIS 94 Cb -0.29 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 2r5x s HIS 94 CO 0.36 -0.09 0.09 -0.06 -0.85 0.00 0.00 174.74 174.18 2r5x s PHE 95 N 1.56 3.32 0.14 1.40 0.08 -1.26 -5.07 117.98 118.15 2r5x s PHE 95 Ca 0.08 0.18 -0.31 0.00 0.12 0.00 0.00 56.93 56.99 2r5x s PHE 95 Cb -0.15 -2.11 -0.09 0.00 -0.57 0.00 0.00 43.02 40.10 2r5x s PHE 95 CO 0.09 0.21 1.45 -1.25 -0.10 0.00 0.00 175.22 175.63 2r5x s PRO 96 N 0.35 4.28 0.34 0.24 0.04 -1.26 -4.93 135.00 134.06 2r5x s PRO 96 Ca 0.05 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.31 2r5x s PRO 96 Cb -0.12 -3.20 0.63 0.00 0.04 0.00 0.00 34.50 31.84 2r5x s PRO 96 CO -0.01 -0.49 1.95 0.66 0.04 0.00 0.00 177.00 179.15 2r5x h SER 97 N 6.65 0.63 -0.72 6.66 4.64 -1.99 -2.29 113.55 127.13 2r5x h SER 97 Ca -0.43 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2r5x h SER 97 Cb 1.21 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 2r5x h SER 97 CO 0.87 0.54 0.31 0.77 -0.87 0.00 0.00 176.83 178.46 2r5x h SER 98 N 0.70 0.97 0.05 4.97 4.64 -1.99 -1.40 113.55 121.49 2r5x h SER 98 Ca 0.17 -0.16 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 2r5x h SER 98 Cb 0.09 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2r5x h SER 98 CO -0.02 0.86 -0.57 0.25 -0.87 0.00 0.00 176.83 176.47 2r5x h LEU 99 N 1.02 0.60 -0.61 5.97 6.46 -1.87 -1.94 115.31 124.94 2r5x h LEU 99 Ca 0.24 -0.33 0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2r5x h LEU 99 Cb 0.18 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2r5x h LEU 99 CO -0.02 1.05 0.36 0.58 -0.62 0.00 0.00 178.44 179.78 2r5x h VAL 100 N 0.41 1.03 -0.52 1.05 2.07 -1.24 -1.38 116.25 117.67 2r5x h VAL 100 Ca 0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2r5x h VAL 100 Cb 1.12 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2r5x h VAL 100 CO 0.11 0.13 0.07 0.28 0.02 0.00 0.00 177.57 178.17 2r5x h SER 101 N 0.69 0.83 -0.70 0.57 0.02 -1.08 -1.09 113.55 112.79 2r5x h SER 101 Ca 0.26 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2r5x h SER 101 Cb 0.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2r5x h SER 101 CO -0.13 0.89 0.43 1.56 -1.14 0.00 0.00 176.83 178.44 2r5x h GLN 102 N 0.74 0.95 -0.50 3.45 4.20 -1.17 -1.58 115.11 121.20 2r5x h GLN 102 Ca 0.16 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 2r5x h GLN 102 Cb 0.42 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2r5x h GLN 102 CO 0.01 0.67 -0.13 0.00 -0.67 0.00 0.00 178.83 178.72 2r5x h GLN 104 N 0.85 1.16 -0.45 0.00 4.20 -0.94 -1.61 115.11 118.31 2r5x h GLN 104 Ca 0.13 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2r5x h GLN 104 Cb 0.67 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2r5x h GLN 104 CO 0.05 0.77 -0.03 -0.91 -0.67 0.00 0.00 178.83 178.03 2r5x h ASN 105 N 1.19 0.81 -0.53 1.46 2.35 -0.88 -2.18 115.58 117.81 2r5x h ASN 105 Ca 0.42 -0.33 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2r5x h ASN 105 Cb 0.12 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2r5x h ASN 105 CO -0.16 0.95 -0.00 0.58 -1.65 0.00 0.00 177.43 177.14 2r5x h VAL 106 N 0.67 1.26 -0.45 2.81 2.07 -1.09 -2.66 116.25 118.86 2r5x h VAL 106 Ca 0.12 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 2r5x h VAL 106 Cb 0.55 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2r5x h VAL 106 CO 0.03 0.39 0.01 -0.07 0.02 0.00 0.00 177.57 177.95 2r5x h LEU 107 N 0.81 0.69 -1.08 2.57 3.38 -1.24 -0.51 115.31 119.93 2r5x h LEU 107 Ca 0.15 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2r5x h LEU 107 Cb 0.53 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2r5x h LEU 107 CO 0.03 0.76 0.62 0.00 0.09 0.00 0.00 178.44 179.93 2r5x h ALA 108 N 1.33 1.35 0.00 1.53 0.00 -1.21 -0.22 119.26 122.04 2r5x h ALA 108 Ca 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2r5x h ALA 108 Cb 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2r5x h ALA 108 CO 0.02 0.59 -0.62 -0.56 0.00 0.00 0.00 179.25 178.68 2r5x h GLN 109 N 1.25 0.00 0.10 0.00 3.07 -1.10 -0.93 115.11 117.50 2r5x h GLN 109 Ca 0.35 0.00 0.01 0.00 0.09 0.00 0.00 58.65 59.10 2r5x h GLN 109 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2r5x h GLN 109 CO -0.09 0.62 -0.11 0.28 0.09 0.00 0.00 178.83 179.62 2r5x h VAL 110 N 0.00 0.75 -0.56 1.86 2.07 -0.64 -1.63 116.25 118.10 2r5x h VAL 110 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2r5x h VAL 110 Cb 1.42 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2r5x h VAL 110 CO 0.08 0.00 0.36 0.50 0.02 0.00 0.00 177.57 178.54 2r5x h LYS 111 N -0.24 0.72 -0.74 1.57 1.63 -0.94 -1.93 116.57 116.66 2r5x h LYS 111 Ca 0.01 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 2r5x h LYS 111 Cb 0.23 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2r5x h LYS 111 CO -0.04 0.48 0.23 0.77 -3.45 0.00 0.00 179.45 177.44 2r5x h SER 112 N 0.74 1.07 -0.20 4.20 0.02 -1.12 -0.99 113.55 117.27 2r5x h SER 112 Ca 0.21 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2r5x h SER 112 Cb -0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 2r5x h SER 112 CO -0.05 0.99 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.17 2r5x h GLU 113 N 1.10 0.58 -0.08 3.45 4.39 -1.06 -2.72 114.58 120.24 2r5x h GLU 113 Ca 0.24 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 2r5x h GLU 113 Cb 0.31 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2r5x h GLU 113 CO -0.01 0.70 -0.68 -0.07 -1.16 0.00 0.00 179.01 177.79 2r5x h LEU 114 N 0.54 0.41 -1.59 1.33 3.38 -0.98 -3.09 115.31 115.30 2r5x h LEU 114 Ca 0.10 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2r5x h LEU 114 Cb 0.53 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2r5x h LEU 114 CO 0.03 0.97 -0.22 -0.33 0.09 0.00 0.00 178.44 178.99 2r5x h GLU 115 N 0.25 0.00 0.00 1.13 4.39 -1.05 -2.78 114.58 116.52 2r5x h GLU 115 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2r5x h GLU 115 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2r5x h GLU 115 CO 0.11 0.22 0.00 0.87 -1.16 0.00 0.00 179.01 179.05 2r5x h LYS 116 N 0.00 0.00 0.00 2.33 1.57 -1.40 -3.20 116.57 115.87 2r5x h LYS 116 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r5x h LYS 116 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2r5x h LYS 116 CO 0.03 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.35 2r5x n ILE 117 N -2.92 0.79 -0.11 1.86 -5.35 -1.14 -4.80 119.36 107.70 2r5x n ILE 117 Ca 0.02 -0.89 -0.01 0.00 -0.27 0.00 0.00 62.75 61.60 2r5x n ILE 117 Cb 0.37 0.61 0.24 0.00 -1.74 0.00 0.00 39.64 39.11 2r5x n ILE 117 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2r5x h LYS 118 N 0.00 0.78 -0.01 6.28 3.64 -1.49 -2.48 116.57 123.30 2r5x h LYS 118 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2r5x h LYS 118 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2r5x h LYS 118 CO 0.00 0.67 -0.15 0.39 -2.27 0.00 0.00 179.45 178.08 2r5x n GLU 119 N -4.32 0.94 0.00 1.90 -0.58 -1.26 -5.12 120.64 112.19 2r5x n GLU 119 Ca 0.04 -0.47 0.04 0.00 -0.42 0.00 0.00 57.16 56.35 2r5x n GLU 119 Cb 0.18 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2r5x n GLU 119 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04