#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5u n LEU 3 N 0.00 -6.83 -4.73 0.99 7.99 -1.26 -4.94 117.00 108.22 2k5u n LEU 3 Ca 0.00 2.02 -0.41 0.00 -0.01 0.00 0.00 56.01 57.61 2k5u n LEU 3 Cb 0.00 -3.33 -0.04 0.00 -0.11 0.00 0.00 43.42 39.94 2k5u n LEU 3 CO 0.00 -3.79 0.56 -0.36 -1.51 0.00 0.00 177.39 172.30 2k5u s PHE 4 N -1.02 3.72 -0.11 -1.77 0.08 -1.26 -4.63 117.98 112.99 2k5u s PHE 4 Ca -0.19 1.59 -0.08 0.00 0.12 0.00 0.00 56.93 58.37 2k5u s PHE 4 Cb 0.01 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.54 2k5u s PHE 4 CO 0.80 0.16 0.16 0.00 -0.10 0.00 0.00 175.22 176.25 2k5u n ALA 5 N 3.18 -3.13 0.08 5.36 0.00 -1.26 -5.03 120.51 119.71 2k5u n ALA 5 Ca 0.01 1.74 0.00 0.00 0.00 0.00 0.00 53.44 55.19 2k5u n ALA 5 Cb 0.50 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.37 2k5u n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k5u n SER 6 N 1.71 -1.40 -4.49 0.00 2.88 -1.26 -5.16 113.62 105.90 2k5u n SER 6 Ca -0.27 0.32 -0.26 0.00 -1.33 0.00 0.00 58.87 57.33 2k5u n SER 6 Cb 0.42 1.59 -0.10 0.00 -0.75 0.00 0.00 64.21 65.38 2k5u n SER 6 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k5u s LYS 7 N -2.00 1.85 -1.22 -1.46 -0.14 -1.26 -5.03 119.74 110.49 2k5u s LYS 7 Ca 0.00 -2.07 -0.11 0.00 -1.36 0.00 0.00 55.97 52.42 2k5u s LYS 7 Cb 0.00 -1.14 -0.06 0.00 -1.68 0.00 0.00 37.83 34.95 2k5u s LYS 7 CO 0.00 -0.21 2.37 1.47 -0.76 0.00 0.00 175.35 178.21 2k5u n LEU 8 N -0.88 6.36 0.00 3.17 -0.00 -1.26 -4.89 117.00 119.51 2k5u n LEU 8 Ca -0.06 -3.59 0.15 0.00 -0.00 0.00 0.00 56.01 52.51 2k5u n LEU 8 Cb 0.67 -1.35 -0.04 0.00 -0.00 0.00 0.00 43.42 42.70 2k5u n LEU 8 CO 0.43 1.00 -0.20 0.49 -0.00 0.00 0.00 177.39 179.11 2k5u n PHE 9 N 4.93 -3.24 -2.86 1.47 3.72 -1.26 -4.60 117.46 115.63 2k5u n PHE 9 Ca 0.58 1.36 -0.42 0.00 -0.05 0.00 0.00 57.45 58.91 2k5u n PHE 9 Cb 0.26 -2.44 -0.04 0.00 -0.94 0.00 0.00 39.48 36.32 2k5u n PHE 9 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2k5u s SER 10 N -6.33 6.75 0.00 4.37 1.04 -1.26 -4.91 113.70 113.36 2k5u s SER 10 Ca 0.00 0.78 0.28 0.00 0.48 0.00 0.00 55.95 57.49 2k5u s SER 10 Cb 0.00 -2.44 1.01 0.00 0.10 0.00 0.00 66.02 64.69 2k5u s SER 10 CO 0.00 -0.68 1.72 -3.20 0.98 0.00 0.00 173.24 172.06 2k5u n ASN 11 N 6.37 0.84 -4.50 7.02 2.85 -1.26 -4.89 115.26 121.67 2k5u n ASN 11 Ca 0.06 -0.84 -0.35 0.00 -0.11 0.00 0.00 54.58 53.34 2k5u n ASN 11 Cb 0.48 0.03 -0.16 0.00 1.24 0.00 0.00 39.78 41.37 2k5u n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k5u n LEU 12 N -0.68 -0.05 -0.40 1.20 4.77 -1.26 -4.66 117.00 115.92 2k5u n LEU 12 Ca 0.14 -0.11 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2k5u n LEU 12 Cb 0.31 -0.87 0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2k5u n LEU 12 CO 0.24 -1.03 0.36 0.33 -1.33 0.00 0.00 177.39 175.96 2k5u n PHE 13 N 9.64 0.00 -0.06 -1.77 7.35 -1.26 -4.87 117.46 126.49 2k5u n PHE 13 Ca 0.64 -0.46 -0.04 0.00 -0.76 0.00 0.00 57.45 56.83 2k5u n PHE 13 Cb 0.10 -0.10 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 2k5u n PHE 13 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2k5u h GLY 14 N 0.10 0.00 -7.42 7.13 0.00 -1.87 -3.45 103.07 97.56 2k5u h GLY 14 Ca -0.01 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.60 2k5u h GLY 14 CO 0.01 0.00 -0.45 -1.31 0.00 0.00 0.00 176.54 174.78 2k5u s ASN 15 N -5.54 5.65 -0.73 0.19 -0.87 -1.26 -4.99 114.94 107.39 2k5u s ASN 15 Ca -0.13 -1.57 -0.07 0.00 -1.57 0.00 0.00 52.86 49.52 2k5u s ASN 15 Cb 0.02 -1.99 -0.25 0.00 -0.02 0.00 0.00 41.25 39.01 2k5u s ASN 15 CO 0.19 -0.56 1.65 0.29 -2.57 0.00 0.00 177.10 176.10 2k5u n LYS 16 N 4.92 0.00 -1.54 -0.60 4.76 -1.26 -4.24 118.16 120.19 2k5u n LYS 16 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2k5u n LYS 16 Cb 0.43 -0.82 -0.00 0.00 -1.84 0.00 0.00 35.03 32.79 2k5u n LYS 16 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k5u n GLU 17 N 4.42 -4.04 -4.28 1.97 1.02 -1.26 -5.04 120.64 113.43 2k5u n GLU 17 Ca 0.49 3.14 -0.15 0.00 -0.02 0.00 0.00 57.16 60.62 2k5u n GLU 17 Cb 0.15 -3.94 -0.10 0.00 -0.02 0.00 0.00 31.44 27.53 2k5u n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k5u s MET 18 N -5.37 1.17 -0.31 3.49 0.23 -1.26 -4.92 119.30 112.32 2k5u s MET 18 Ca 0.00 -1.54 0.01 0.00 -1.03 0.00 0.00 55.69 53.13 2k5u s MET 18 Cb 0.00 -0.59 0.14 0.00 -1.53 0.00 0.00 34.83 32.86 2k5u s MET 18 CO 0.00 -0.01 0.33 1.03 -2.03 0.00 0.00 175.02 174.34 2k5u s ARG 19 N -3.81 0.42 -0.10 3.16 0.52 -1.26 -2.35 118.95 115.54 2k5u s ARG 19 Ca 0.22 -0.29 -0.24 0.00 -0.52 0.00 0.00 55.73 54.90 2k5u s ARG 19 Cb 0.04 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.85 2k5u s ARG 19 CO 0.04 -1.07 0.73 0.42 0.02 0.00 0.00 175.30 175.43 2k5u s ILE 20 N 2.14 5.00 -0.02 1.52 -1.09 -0.45 0.20 121.20 128.51 2k5u s ILE 20 Ca 0.11 1.48 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 2k5u s ILE 20 Cb -0.14 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2k5u s ILE 20 CO -0.25 0.18 0.01 -1.48 -1.23 0.00 0.00 174.94 172.17 2k5u s LEU 21 N 1.22 3.57 -0.45 2.97 2.34 -1.08 -2.64 118.68 124.61 2k5u s LEU 21 Ca 0.37 0.04 -0.21 0.00 0.06 0.00 0.00 54.13 54.39 2k5u s LEU 21 Cb -0.17 -2.00 0.03 0.00 -0.56 0.00 0.00 46.19 43.48 2k5u s LEU 21 CO 0.16 0.30 0.69 -0.32 -1.06 0.00 0.00 176.35 176.12 2k5u s MET 22 N -1.44 3.30 0.01 1.48 -2.45 0.24 -2.09 119.30 118.35 2k5u s MET 22 Ca 0.19 -0.32 0.08 0.00 -1.25 0.00 0.00 55.69 54.39 2k5u s MET 22 Cb -0.12 -3.96 -0.02 0.00 1.25 0.00 0.00 34.83 31.99 2k5u s MET 22 CO 0.09 -1.06 -0.26 0.08 1.05 0.00 0.00 175.02 174.92 2k5u s VAL 23 N 2.96 2.07 0.00 10.11 1.01 -0.94 -0.01 120.40 135.60 2k5u s VAL 23 Ca 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2k5u s VAL 23 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2k5u s VAL 23 CO 0.20 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2k5u n GLY 24 N 2.17 -0.49 3.75 4.51 0.00 -1.25 -1.39 105.19 112.50 2k5u n GLY 24 Ca -0.16 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2k5u n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5u s LEU 25 N 0.00 3.71 0.60 0.99 1.43 -1.25 -1.59 118.68 122.57 2k5u s LEU 25 Ca 0.00 2.52 -0.20 0.00 -1.03 0.00 0.00 54.13 55.43 2k5u s LEU 25 Cb 0.00 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 2k5u s LEU 25 CO 0.00 -1.64 1.30 1.51 0.23 0.00 0.00 176.35 177.76 2k5u s ASP 26 N -1.38 4.95 -0.17 2.29 -4.77 -1.26 -1.95 116.67 114.38 2k5u s ASP 26 Ca 0.76 2.64 0.00 0.00 -3.30 0.00 0.00 52.55 52.65 2k5u s ASP 26 Cb -0.34 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 38.87 2k5u s ASP 26 CO 0.38 -1.77 0.00 0.61 0.70 0.00 0.00 175.17 175.09 2k5u n GLY 27 N 0.78 0.15 0.32 2.12 0.00 -1.26 -4.80 105.19 102.49 2k5u n GLY 27 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2k5u n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5u h ALA 28 N 0.01 1.65 0.00 4.61 0.00 -1.76 -3.45 119.26 120.32 2k5u h ALA 28 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k5u h ALA 28 Cb 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k5u h ALA 28 CO 0.05 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.03 2k5u n GLY 29 N -1.46 0.06 0.19 0.00 0.00 -1.26 -4.79 105.19 97.92 2k5u n GLY 29 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2k5u n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5u h LYS 30 N 0.00 0.62 -0.82 1.61 6.56 -1.91 -2.96 116.57 119.67 2k5u h LYS 30 Ca 0.00 -0.49 0.09 0.00 -1.06 0.00 0.00 60.65 59.19 2k5u h LYS 30 Cb 0.00 0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 31.70 2k5u h LYS 30 CO 0.00 1.11 0.53 1.15 -2.06 0.00 0.00 179.45 180.19 2k5u h THR 31 N 0.27 0.98 0.04 -0.16 2.02 -1.96 0.42 112.91 114.53 2k5u h THR 31 Ca -0.03 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2k5u h THR 31 Cb 1.21 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2k5u h THR 31 CO 0.12 0.15 -0.02 0.74 0.37 0.00 0.00 175.52 176.88 2k5u h THR 32 N 0.81 1.21 -0.35 3.16 2.02 -1.95 -2.87 112.91 114.95 2k5u h THR 32 Ca 0.37 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 2k5u h THR 32 Cb 0.37 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 2k5u h THR 32 CO -0.14 0.21 -0.15 0.58 0.37 0.00 0.00 175.52 176.38 2k5u h VAL 33 N -0.43 1.25 -0.24 3.16 2.07 -1.27 -2.89 116.25 117.91 2k5u h VAL 33 Ca -0.01 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.40 2k5u h VAL 33 Cb 0.39 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2k5u h VAL 33 CO 0.01 0.39 -0.08 0.25 0.02 0.00 0.00 177.57 178.15 2k5u h LEU 34 N 0.57 -0.28 -1.10 2.57 6.46 -0.14 0.19 115.31 123.57 2k5u h LEU 34 Ca 0.10 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2k5u h LEU 34 Cb 0.59 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 2k5u h LEU 34 CO 0.04 -0.11 0.61 0.22 -0.62 0.00 0.00 178.44 178.58 2k5u h TYR 35 N -0.03 1.14 -0.26 1.25 5.03 -1.39 0.32 116.97 123.03 2k5u h TYR 35 Ca 0.12 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 2k5u h TYR 35 Cb 0.22 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 2k5u h TYR 35 CO -0.26 0.69 0.05 0.87 -1.32 0.00 0.00 178.16 178.19 2k5u h LYS 36 N 1.21 0.42 0.00 1.82 1.79 -1.02 -2.42 116.57 118.37 2k5u h LYS 36 Ca 0.35 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2k5u h LYS 36 Cb -0.08 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2k5u h LYS 36 CO -0.09 0.53 0.00 -0.11 -1.08 0.00 0.00 179.45 178.70 2k5u n LEU 37 N -4.70 0.27 0.00 2.94 7.94 0.55 -4.85 117.00 119.15 2k5u n LEU 37 Ca -0.03 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2k5u n LEU 37 Cb 0.19 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.64 2k5u n LEU 37 CO 0.37 -0.29 0.00 2.29 -1.11 0.00 0.00 177.39 178.65 2k5u n LYS 38 N -1.79 0.00 0.00 1.96 2.85 0.06 -4.68 118.16 116.57 2k5u n LYS 38 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2k5u n LYS 38 Cb 0.24 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.62 2k5u n LYS 38 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k5u n LEU 39 N 0.00 0.00 0.00 -5.58 4.77 -1.26 -4.50 117.00 110.43 2k5u n LEU 39 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k5u n LEU 39 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2k5u n LEU 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2k5u n GLY 40 N -1.84 1.37 2.83 -0.72 0.00 -1.26 -4.91 105.19 100.66 2k5u n GLY 40 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 2k5u n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5u s GLU 41 N 0.00 0.15 0.18 1.61 2.12 -1.26 -5.14 118.70 116.35 2k5u s GLU 41 Ca 0.00 0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.48 2k5u s GLU 41 Cb 0.00 -0.73 -0.08 0.00 0.26 0.00 0.00 34.13 33.57 2k5u s GLU 41 CO 0.00 -0.50 0.80 0.54 -0.54 0.00 0.00 175.26 175.56 2k5u s VAL 42 N 2.35 4.33 -0.02 3.70 0.11 -1.26 -4.90 120.40 124.71 2k5u s VAL 42 Ca 0.05 1.75 -0.22 0.00 -2.93 0.00 0.00 61.98 60.63 2k5u s VAL 42 Cb -0.14 -4.16 -0.05 0.00 -1.53 0.00 0.00 36.38 30.50 2k5u s VAL 42 CO -0.10 0.51 0.65 -0.63 -3.33 0.00 0.00 175.10 172.20 2k5u s ILE 43 N -1.17 4.92 -0.03 7.04 -1.09 -0.69 -4.91 121.20 125.27 2k5u s ILE 43 Ca 0.37 1.36 0.08 0.00 -2.23 0.00 0.00 60.65 60.22 2k5u s ILE 43 Cb -0.23 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2k5u s ILE 43 CO 0.27 0.36 -0.26 -0.89 -1.23 0.00 0.00 174.94 173.19 2k5u s THR 44 N 0.13 2.05 0.05 2.92 2.01 -1.26 -1.84 115.64 119.70 2k5u s THR 44 Ca 0.34 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2k5u s THR 44 Cb -0.18 -1.71 0.04 0.00 0.01 0.00 0.00 72.50 70.66 2k5u s THR 44 CO 0.18 0.58 0.44 -0.89 -0.69 0.00 0.00 174.62 174.24 2k5u s THR 45 N -0.54 0.05 -0.35 -0.82 2.01 -1.10 -5.02 115.64 109.86 2k5u s THR 45 Ca 0.08 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 2k5u s THR 45 Cb -0.11 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.43 2k5u s THR 45 CO -0.00 -0.22 0.42 -0.63 -0.69 0.00 0.00 174.62 173.50 2k5u s ILE 46 N -2.53 5.10 0.16 1.82 1.09 -1.26 -2.65 121.20 122.94 2k5u s ILE 46 Ca -0.05 0.10 -0.05 0.00 -1.10 0.00 0.00 60.65 59.55 2k5u s ILE 46 Cb -0.01 -3.90 -0.09 0.00 -1.06 0.00 0.00 42.46 37.40 2k5u s ILE 46 CO -0.03 -0.18 1.44 1.55 -0.10 0.00 0.00 174.94 177.63 2k5u h PRO 47 N 8.50 0.59 -1.87 2.79 0.13 -1.97 -3.48 132.00 136.69 2k5u h PRO 47 Ca -0.29 -0.42 0.08 0.00 -0.87 0.00 0.00 66.00 64.50 2k5u h PRO 47 Cb 1.13 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 2k5u h PRO 47 CO 0.73 1.04 0.50 0.95 -0.23 0.00 0.00 178.00 180.99 2k5u s THR 48 N -3.86 0.00 0.00 1.56 -4.23 -1.26 -5.05 115.64 102.80 2k5u s THR 48 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2k5u s THR 48 Cb 0.10 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.94 2k5u s THR 48 CO 0.86 0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 174.56 2k5u n ILE 49 N 0.38 0.00 -3.10 2.99 -0.00 -1.26 -1.52 119.36 116.85 2k5u n ILE 49 Ca -0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.40 2k5u n ILE 49 Cb 0.59 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 40.19 2k5u n ILE 49 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k5u n GLY 50 N 0.00 4.81 3.55 7.39 0.00 -1.26 -5.07 105.19 114.61 2k5u n GLY 50 Ca 0.00 -2.44 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 2k5u n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5u s PHE 51 N -2.89 2.72 -0.21 1.61 0.40 -0.58 -5.09 117.98 113.93 2k5u s PHE 51 Ca 0.44 -0.16 -0.00 0.00 -0.60 0.00 0.00 56.93 56.61 2k5u s PHE 51 Cb 0.27 -1.47 0.05 0.00 0.51 0.00 0.00 43.02 42.38 2k5u s PHE 51 CO -0.10 0.37 -0.04 -0.80 0.70 0.00 0.00 175.22 175.35 2k5u s ASN 52 N -1.85 3.44 0.02 1.36 -0.87 -1.26 -3.97 114.94 111.81 2k5u s ASN 52 Ca 0.19 -0.98 0.07 0.00 -1.57 0.00 0.00 52.86 50.56 2k5u s ASN 52 Cb -0.11 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.25 40.06 2k5u s ASN 52 CO 0.10 -0.23 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.53 2k5u s VAL 53 N 1.52 2.77 0.11 1.60 1.01 -1.09 -4.83 120.40 121.50 2k5u s VAL 53 Ca -0.03 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 60.94 2k5u s VAL 53 Cb -0.18 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2k5u s VAL 53 CO -0.07 0.41 -0.20 -1.61 0.00 0.00 0.00 175.10 173.62 2k5u s GLU 54 N -1.23 1.74 -0.18 2.72 2.02 -1.14 -2.72 118.70 119.91 2k5u s GLU 54 Ca 0.14 -1.19 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 2k5u s GLU 54 Cb -0.10 -2.08 0.05 0.00 0.10 0.00 0.00 34.13 32.11 2k5u s GLU 54 CO 0.04 0.48 0.46 0.99 0.02 0.00 0.00 175.26 177.25 2k5u s THR 55 N -1.09 -0.01 0.05 3.63 2.01 -0.77 -2.02 115.64 117.44 2k5u s THR 55 Ca 0.17 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2k5u s THR 55 Cb -0.10 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 2k5u s THR 55 CO 0.08 0.02 -0.15 0.68 -0.69 0.00 0.00 174.62 174.57 2k5u s VAL 56 N 0.93 1.17 -0.22 3.82 -7.23 0.22 -1.71 120.40 117.38 2k5u s VAL 56 Ca -0.06 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 2k5u s VAL 56 Cb -0.06 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.84 2k5u s VAL 56 CO -0.08 -0.03 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.45 2k5u s GLN 57 N -1.29 2.79 -0.17 4.82 -0.21 -1.26 -1.81 119.66 122.53 2k5u s GLN 57 Ca 0.01 -0.98 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 2k5u s GLN 57 Cb -0.08 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 31.19 2k5u s GLN 57 CO 0.02 -0.35 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.32 2k5u s TYR 58 N 1.26 1.68 0.00 0.91 5.04 -0.34 -5.02 117.35 120.89 2k5u s TYR 58 Ca 0.00 -1.08 0.00 0.00 -2.44 0.00 0.00 57.07 53.56 2k5u s TYR 58 Cb -0.16 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.85 2k5u s TYR 58 CO -0.08 -0.62 0.00 0.36 -1.34 0.00 0.00 175.55 173.87 2k5u n LYS 59 N 4.88 0.00 -2.53 4.97 2.85 -1.26 0.33 118.16 127.40 2k5u n LYS 59 Ca -0.12 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.01 2k5u n LYS 59 Cb 0.48 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.88 2k5u n LYS 59 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2k5u n ASN 60 N 1.66 2.93 -3.69 -5.58 6.94 -1.26 -5.05 115.26 111.21 2k5u n ASN 60 Ca 0.00 -2.92 -0.12 0.00 -0.02 0.00 0.00 54.58 51.52 2k5u n ASN 60 Cb 0.00 -0.46 -0.09 0.00 -2.36 0.00 0.00 39.78 36.87 2k5u n ASN 60 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2k5u s ILE 61 N -4.15 -0.01 0.08 1.53 -4.36 0.15 -4.04 121.20 110.41 2k5u s ILE 61 Ca 0.37 0.02 0.07 0.00 -0.26 0.00 0.00 60.65 60.84 2k5u s ILE 61 Cb 0.39 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 43.32 2k5u s ILE 61 CO -0.03 0.01 -0.11 -0.55 0.24 0.00 0.00 174.94 174.50 2k5u s SER 62 N 0.75 4.31 -0.04 4.36 0.15 -0.99 -1.20 113.70 121.04 2k5u s SER 62 Ca -0.04 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 2k5u s SER 62 Cb -0.05 -0.83 0.03 0.00 -1.71 0.00 0.00 66.02 63.46 2k5u s SER 62 CO -0.06 0.21 0.02 0.12 1.20 0.00 0.00 173.24 174.73 2k5u s PHE 63 N -1.13 0.30 -0.03 3.44 5.36 -0.75 -1.34 117.98 123.84 2k5u s PHE 63 Ca 0.19 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2k5u s PHE 63 Cb -0.11 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.09 2k5u s PHE 63 CO 0.11 -0.19 -0.02 0.95 -1.46 0.00 0.00 175.22 174.61 2k5u s THR 64 N 1.54 0.31 0.08 0.12 -4.23 -1.08 0.69 115.64 113.07 2k5u s THR 64 Ca -0.03 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2k5u s THR 64 Cb -0.13 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.32 2k5u s THR 64 CO -0.03 0.15 0.15 0.68 -0.54 0.00 0.00 174.62 175.03 2k5u s VAL 65 N 0.72 4.94 -0.29 2.29 -7.23 -0.86 0.81 120.40 120.78 2k5u s VAL 65 Ca -0.08 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.34 2k5u s VAL 65 Cb -0.11 -3.41 0.13 0.00 0.56 0.00 0.00 36.38 33.55 2k5u s VAL 65 CO -0.01 0.11 0.81 0.86 -0.31 0.00 0.00 175.10 176.57 2k5u s TRP 66 N -1.47 -0.96 1.26 2.82 -0.00 0.99 -2.89 118.94 118.69 2k5u s TRP 66 Ca 0.32 1.76 -0.17 0.00 -0.00 0.00 0.00 56.10 58.01 2k5u s TRP 66 Cb -0.12 0.57 0.29 0.00 -0.00 0.00 0.00 33.47 34.21 2k5u s TRP 66 CO 0.25 -0.47 0.79 -0.40 -0.00 0.00 0.00 176.95 177.11 2k5u n ASP 67 N 4.70 -2.65 0.02 5.86 5.75 -1.26 -3.85 116.55 125.12 2k5u n ASP 67 Ca -0.15 -0.39 -0.12 0.00 -0.01 0.00 0.00 54.79 54.13 2k5u n ASP 67 Cb 0.54 -1.11 -0.07 0.00 -1.03 0.00 0.00 41.12 39.45 2k5u n ASP 67 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2k5u h VAL 68 N -2.91 1.05 0.00 2.12 -1.51 -1.63 -3.43 116.25 109.94 2k5u h VAL 68 Ca -0.54 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2k5u h VAL 68 Cb 1.31 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2k5u h VAL 68 CO 0.40 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 177.39 2k5u n GLY 69 N -0.95 2.78 4.64 5.19 0.00 -1.26 -4.65 105.19 110.95 2k5u n GLY 69 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2k5u n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5u n GLY 70 N 0.00 1.04 0.00 -0.02 0.00 -1.26 -2.79 105.19 102.16 2k5u n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k5u n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5u n GLN 71 N -1.09 0.00 -0.13 1.61 0.00 -1.26 -5.03 117.38 111.48 2k5u n GLN 71 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.00 57.02 2k5u n GLN 71 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.24 2k5u n GLN 71 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2k5u n ASP 72 N -0.25 -2.68 0.01 2.61 2.03 -1.12 -4.91 116.55 112.24 2k5u n ASP 72 Ca 0.00 0.14 -0.00 0.00 0.52 0.00 0.00 54.79 55.44 2k5u n ASP 72 Cb 0.00 -0.38 -0.00 0.00 -0.72 0.00 0.00 41.12 40.02 2k5u n ASP 72 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k5u n ARG 73 N -1.14 0.02 -4.36 -0.67 5.12 -1.26 -5.11 116.66 109.26 2k5u n ARG 73 Ca 0.00 0.01 -0.20 0.00 -1.93 0.00 0.00 57.85 55.73 2k5u n ARG 73 Cb 0.06 -0.23 -0.10 0.00 -1.16 0.00 0.00 32.46 31.03 2k5u n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2k5u s ILE 74 N -1.34 1.86 -0.24 0.55 1.01 -1.26 -5.13 121.20 116.65 2k5u s ILE 74 Ca -0.01 -2.18 -0.04 0.00 0.00 0.00 0.00 60.65 58.42 2k5u s ILE 74 Cb 0.00 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2k5u s ILE 74 CO 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 174.94 174.42 2k5u s ARG 75 N -3.46 3.23 0.00 2.79 1.04 -1.26 -4.75 118.95 116.54 2k5u s ARG 75 Ca 0.22 -0.73 0.00 0.00 -1.04 0.00 0.00 55.73 54.18 2k5u s ARG 75 Cb -0.02 -3.08 0.00 0.00 -2.04 0.00 0.00 34.95 29.81 2k5u s ARG 75 CO 0.08 -0.28 0.00 0.45 -0.04 0.00 0.00 175.30 175.51 2k5u n SER 76 N 4.79 0.00 -0.07 -2.89 2.88 -1.26 -4.96 113.62 112.11 2k5u n SER 76 Ca -0.17 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 2k5u n SER 76 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 2k5u n SER 76 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k5u h LEU 77 N 0.00 0.00 -1.15 2.46 7.12 -1.97 -2.87 115.31 118.90 2k5u h LEU 77 Ca 0.00 -0.60 -0.01 0.00 0.13 0.00 0.00 57.88 57.40 2k5u h LEU 77 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2k5u h LEU 77 CO 0.00 0.96 -0.05 4.11 -0.13 0.00 0.00 178.44 183.32 2k5u h TRP 78 N -1.00 0.00 0.03 1.25 5.08 -1.95 -2.83 115.95 116.54 2k5u h TRP 78 Ca -0.07 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.90 2k5u h TRP 78 Cb 0.79 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.95 2k5u h TRP 78 CO 0.14 0.05 -0.01 0.00 -1.28 0.00 0.00 178.44 177.34 2k5u h ARG 79 N 0.00 -0.04 -0.46 0.12 3.08 -1.93 -2.45 114.38 112.69 2k5u h ARG 79 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2k5u h ARG 79 Cb 0.65 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 2k5u h ARG 79 CO 0.01 0.61 0.11 0.45 -1.07 0.00 0.00 179.97 180.08 2k5u h HIS 80 N -0.94 0.18 -0.23 3.04 3.86 -1.52 -0.61 115.15 118.94 2k5u h HIS 80 Ca -0.00 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2k5u h HIS 80 Cb 0.67 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2k5u h HIS 80 CO 0.17 0.03 -0.11 1.88 0.86 0.00 0.00 177.93 180.76 2k5u h TYR 81 N 0.25 0.39 -0.12 2.45 0.05 -1.63 -3.11 116.97 115.25 2k5u h TYR 81 Ca 0.23 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.99 2k5u h TYR 81 Cb 0.28 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2k5u h TYR 81 CO -0.20 0.48 -0.11 -0.92 -1.05 0.00 0.00 178.16 176.35 2k5u h TYR 82 N 0.35 -0.27 -0.18 4.88 3.20 -0.60 -1.55 116.97 122.79 2k5u h TYR 82 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2k5u h TYR 82 Cb 0.41 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2k5u h TYR 82 CO 0.01 -0.17 0.11 0.00 -1.64 0.00 0.00 178.16 176.47 2k5u h ARG 83 N -0.13 0.25 -0.30 1.82 2.47 -1.44 -2.42 114.38 114.62 2k5u h ARG 83 Ca 0.08 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.87 2k5u h ARG 83 Cb 0.25 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2k5u h ARG 83 CO -0.20 0.22 0.28 -0.91 0.56 0.00 0.00 179.97 179.92 2k5u h ASN 84 N 0.21 0.00 -3.93 7.04 2.35 -1.42 -3.42 115.58 116.41 2k5u h ASN 84 Ca 0.06 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.29 2k5u h ASN 84 Cb 0.04 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.48 2k5u h ASN 84 CO -0.01 0.00 0.58 0.42 -1.65 0.00 0.00 177.43 176.77 2k5u s THR 85 N -4.74 2.81 -0.42 2.81 -4.23 -0.62 -4.84 115.64 106.41 2k5u s THR 85 Ca -0.05 0.73 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 2k5u s THR 85 Cb 0.16 -3.43 0.09 0.00 1.34 0.00 0.00 72.50 70.66 2k5u s THR 85 CO 0.60 0.11 0.94 -0.62 -0.54 0.00 0.00 174.62 175.10 2k5u n GLU 86 N 0.25 1.79 -3.94 3.99 -0.58 -0.48 -4.85 120.64 116.82 2k5u n GLU 86 Ca 0.03 -1.38 -0.09 0.00 -0.42 0.00 0.00 57.16 55.30 2k5u n GLU 86 Cb 0.44 -1.10 -0.09 0.00 -0.57 0.00 0.00 31.44 30.12 2k5u n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k5u s GLY 87 N -0.78 0.21 -0.25 0.62 0.00 0.53 -4.10 107.32 103.55 2k5u s GLY 87 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 2k5u s GLY 87 CO 0.06 -0.81 0.28 0.14 0.00 0.00 0.00 173.10 172.77 2k5u s VAL 88 N -3.01 -0.40 -0.28 1.40 1.01 -1.10 -2.63 120.40 115.39 2k5u s VAL 88 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2k5u s VAL 88 Cb 0.01 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.59 2k5u s VAL 88 CO -0.06 -0.31 -0.01 -0.51 0.00 0.00 0.00 175.10 174.21 2k5u s ILE 89 N 2.38 3.14 -0.16 2.22 1.10 -0.89 -2.26 121.20 126.73 2k5u s ILE 89 Ca 0.09 -1.07 -0.08 0.00 -0.51 0.00 0.00 60.65 59.08 2k5u s ILE 89 Cb -0.15 -2.67 -0.04 0.00 0.15 0.00 0.00 42.46 39.75 2k5u s ILE 89 CO -0.22 0.07 0.11 0.12 -2.11 0.00 0.00 174.94 172.92 2k5u s PHE 90 N 1.34 3.43 -0.16 3.50 5.36 -0.22 -2.20 117.98 129.02 2k5u s PHE 90 Ca -0.01 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2k5u s PHE 90 Cb -0.18 -2.05 0.04 0.00 -0.34 0.00 0.00 43.02 40.49 2k5u s PHE 90 CO -0.02 0.43 -0.08 0.08 -1.46 0.00 0.00 175.22 174.17 2k5u s VAL 91 N -0.19 1.31 0.26 3.12 1.01 -0.48 -0.43 120.40 125.00 2k5u s VAL 91 Ca 0.10 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.49 2k5u s VAL 91 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2k5u s VAL 91 CO 0.01 0.23 0.06 0.54 0.00 0.00 0.00 175.10 175.94 2k5u s VAL 92 N 1.56 3.79 -0.26 2.92 0.11 -0.86 -3.81 120.40 123.84 2k5u s VAL 92 Ca 0.02 -1.73 -0.28 0.00 -2.93 0.00 0.00 61.98 57.05 2k5u s VAL 92 Cb -0.15 -3.03 0.01 0.00 -1.53 0.00 0.00 36.38 31.69 2k5u s VAL 92 CO -0.08 -0.36 1.02 -0.62 -3.33 0.00 0.00 175.10 171.73 2k5u s ASP 93 N -3.70 7.00 0.19 3.54 -1.08 -1.26 -2.79 116.67 118.57 2k5u s ASP 93 Ca 0.32 1.20 0.23 0.00 -0.52 0.00 0.00 52.55 53.78 2k5u s ASP 93 Cb -0.07 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.77 2k5u s ASP 93 CO 0.21 -0.72 1.71 -0.24 0.52 0.00 0.00 175.17 176.65 2k5u n SER 94 N 6.47 0.56 -0.52 -0.34 2.88 -1.11 -2.53 113.62 119.04 2k5u n SER 94 Ca 0.11 0.61 0.05 0.00 -1.33 0.00 0.00 58.87 58.31 2k5u n SER 94 Cb 0.47 -0.74 0.10 0.00 -0.75 0.00 0.00 64.21 63.29 2k5u n SER 94 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k5u n ASN 95 N -2.08 2.47 -3.31 -3.46 4.05 -1.26 0.07 115.26 111.73 2k5u n ASN 95 Ca 0.03 -1.78 -0.29 0.00 0.45 0.00 0.00 54.58 53.00 2k5u n ASN 95 Cb 0.28 -0.13 -0.05 0.00 1.23 0.00 0.00 39.78 41.10 2k5u n ASN 95 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2k5u n ASP 96 N 0.48 4.42 -0.20 1.20 -0.08 -1.05 -4.85 116.55 116.48 2k5u n ASP 96 Ca 0.09 -3.54 -0.05 0.00 -1.51 0.00 0.00 54.79 49.77 2k5u n ASP 96 Cb 0.35 -0.70 0.12 0.00 2.34 0.00 0.00 41.12 43.23 2k5u n ASP 96 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2k5u h ARG 97 N 3.85 0.99 -0.23 -0.67 0.11 -1.84 -2.25 114.38 114.34 2k5u h ARG 97 Ca 0.19 -0.22 0.07 0.00 0.10 0.00 0.00 59.98 60.12 2k5u h ARG 97 Cb 0.58 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 2k5u h ARG 97 CO 0.89 0.88 0.41 0.77 0.10 0.00 0.00 179.97 183.01 2k5u h SER 98 N 0.95 0.00 -0.03 0.08 0.02 -1.96 0.36 113.55 112.96 2k5u h SER 98 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2k5u h SER 98 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k5u h SER 98 CO -0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 2k5u n ARG 99 N -3.35 0.76 -0.24 3.45 1.74 -0.88 -4.58 116.66 113.57 2k5u n ARG 99 Ca 0.03 -1.25 0.12 0.00 -0.77 0.00 0.00 57.85 55.98 2k5u n ARG 99 Cb 0.53 -1.23 0.39 0.00 -1.02 0.00 0.00 32.46 31.12 2k5u n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2k5u h ILE 100 N 2.31 0.86 -0.25 0.55 6.09 0.08 0.39 117.51 127.54 2k5u h ILE 100 Ca 0.00 -0.23 -0.13 0.00 -1.37 0.00 0.00 64.86 63.13 2k5u h ILE 100 Cb 0.51 0.13 -0.01 0.00 0.47 0.00 0.00 36.82 37.92 2k5u h ILE 100 CO 0.00 0.12 -0.37 1.23 -3.07 0.00 0.00 178.15 176.06 2k5u h GLY 101 N 0.67 0.60 1.56 8.18 0.00 -1.81 0.25 103.07 112.52 2k5u h GLY 101 Ca 0.42 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2k5u h GLY 101 CO -0.18 0.53 -0.36 0.83 0.00 0.00 0.00 176.54 177.36 2k5u h GLU 102 N 0.46 0.49 -0.05 4.80 4.39 -0.84 -0.58 114.58 123.26 2k5u h GLU 102 Ca 0.05 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 2k5u h GLU 102 Cb 0.86 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2k5u h GLU 102 CO 0.07 0.79 -0.43 0.00 -1.16 0.00 0.00 179.01 178.28 2k5u h ALA 103 N 1.19 0.12 -0.50 3.43 0.00 -0.07 -2.86 119.26 120.58 2k5u h ALA 103 Ca 0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2k5u h ALA 103 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k5u h ALA 103 CO 0.07 0.26 -0.03 0.07 0.00 0.00 0.00 179.25 179.62 2k5u h ARG 104 N -0.11 0.85 -0.46 0.00 -0.00 -0.45 -0.65 114.38 113.55 2k5u h ARG 104 Ca -0.04 -0.25 -0.05 0.00 -0.00 0.00 0.00 59.98 59.64 2k5u h ARG 104 Cb 1.10 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.97 2k5u h ARG 104 CO 0.09 0.87 0.10 0.93 -0.00 0.00 0.00 179.97 181.95 2k5u h GLU 105 N 0.79 0.75 -0.43 0.08 4.39 -1.17 0.43 114.58 119.43 2k5u h GLU 105 Ca 0.14 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 2k5u h GLU 105 Cb 0.51 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2k5u h GLU 105 CO 0.03 0.75 -0.31 -0.24 -1.16 0.00 0.00 179.01 178.08 2k5u h VAL 106 N 0.63 1.27 -0.31 3.13 3.04 -1.37 0.26 116.25 122.89 2k5u h VAL 106 Ca 0.14 -1.48 -0.09 0.00 -1.01 0.00 0.00 66.70 64.26 2k5u h VAL 106 Cb 0.35 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2k5u h VAL 106 CO 0.00 0.50 -0.15 -0.03 -1.01 0.00 0.00 177.57 176.88 2k5u h MET 107 N 0.80 0.66 -0.14 4.17 1.85 -0.96 -1.86 114.93 119.46 2k5u h MET 107 Ca 0.08 -0.29 -0.10 0.00 -0.61 0.00 0.00 59.70 58.79 2k5u h MET 107 Cb 0.90 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.91 2k5u h MET 107 CO 0.08 0.88 -0.30 0.37 -0.40 0.00 0.00 176.91 177.54 2k5u h GLN 108 N 0.42 0.45 -0.73 0.39 5.75 -0.09 -1.93 115.11 119.37 2k5u h GLN 108 Ca 0.07 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.28 2k5u h GLN 108 Cb 0.68 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.23 2k5u h GLN 108 CO 0.05 0.90 0.48 -0.09 -2.65 0.00 0.00 178.83 177.52 2k5u h ARG 109 N 0.05 0.95 -0.06 1.69 2.43 -0.53 -1.78 114.38 117.13 2k5u h ARG 109 Ca 0.00 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2k5u h ARG 109 Cb 0.90 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2k5u h ARG 109 CO 0.07 0.63 -0.38 0.00 -1.51 0.00 0.00 179.97 178.77 2k5u h MET 110 N 0.98 0.13 0.00 0.20 -0.00 -1.34 -2.36 114.93 112.53 2k5u h MET 110 Ca 0.27 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.91 2k5u h MET 110 Cb -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.49 2k5u h MET 110 CO -0.06 0.50 0.00 -0.11 -0.00 0.00 0.00 176.91 177.24 2k5u n LEU 111 N -4.06 0.53 0.00 -0.10 0.00 -0.70 -2.43 117.00 110.24 2k5u n LEU 111 Ca -0.02 0.64 0.03 0.00 0.00 0.00 0.00 56.01 56.67 2k5u n LEU 111 Cb 0.44 -0.59 0.20 0.00 0.00 0.00 0.00 43.42 43.48 2k5u n LEU 111 CO 0.40 -0.55 0.56 0.59 0.00 0.00 0.00 177.39 178.40 2k5u n ASN 112 N -2.10 0.00 -4.60 1.96 3.02 -0.89 -4.75 115.26 107.90 2k5u n ASN 112 Ca 0.02 -1.47 -0.43 0.00 -0.03 0.00 0.00 54.58 52.67 2k5u n ASN 112 Cb 0.19 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 2k5u n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k5u s GLU 113 N -2.00 3.73 0.44 3.52 0.41 -1.02 -4.89 118.70 118.89 2k5u s GLU 113 Ca 0.10 0.58 0.18 0.00 -0.41 0.00 0.00 54.97 55.42 2k5u s GLU 113 Cb 0.05 -3.91 1.12 0.00 -1.78 0.00 0.00 34.13 29.61 2k5u s GLU 113 CO 0.08 -1.38 1.92 0.38 -0.49 0.00 0.00 175.26 175.78 2k5u h ASP 114 N 9.22 0.33 0.79 -0.19 2.03 -1.92 0.51 116.42 127.19 2k5u h ASP 114 Ca -0.23 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 2k5u h ASP 114 Cb 1.06 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 2k5u h ASP 114 CO 1.13 0.16 0.00 -0.62 -1.03 0.00 0.00 179.24 178.88 2k5u n GLU 115 N -4.46 0.08 -0.10 4.15 1.02 -1.26 -2.42 120.64 117.65 2k5u n GLU 115 Ca 0.14 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.55 2k5u n GLU 115 Cb 0.57 -1.62 0.10 0.00 -0.02 0.00 0.00 31.44 30.46 2k5u n GLU 115 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k5u n LEU 116 N -1.76 2.46 0.33 -4.62 7.99 0.17 -4.62 117.00 116.95 2k5u n LEU 116 Ca 0.04 -1.78 0.20 0.00 -0.01 0.00 0.00 56.01 54.47 2k5u n LEU 116 Cb 0.26 -0.13 1.10 0.00 -0.11 0.00 0.00 43.42 44.53 2k5u n LEU 116 CO 0.20 0.60 1.17 0.03 -1.51 0.00 0.00 177.39 177.88 2k5u h ARG 117 N 1.52 0.00 -0.48 3.23 2.47 -0.98 0.02 114.38 120.16 2k5u h ARG 117 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 2k5u h ARG 117 Cb 0.60 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.84 2k5u h ARG 117 CO 0.00 0.00 0.09 0.27 0.56 0.00 0.00 179.97 180.89 2k5u n ASN 118 N -3.14 4.02 -4.82 7.04 0.23 -1.26 -4.98 115.26 112.34 2k5u n ASN 118 Ca -0.02 -3.26 -0.38 0.00 -0.53 0.00 0.00 54.58 50.39 2k5u n ASN 118 Cb 0.15 -0.65 -0.06 0.00 -2.08 0.00 0.00 39.78 37.14 2k5u n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k5u s ALA 119 N -2.99 3.68 -0.34 -2.53 0.00 -0.01 -5.06 121.76 114.53 2k5u s ALA 119 Ca 0.48 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 2k5u s ALA 119 Cb 0.40 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2k5u s ALA 119 CO 0.09 0.42 0.71 0.00 0.00 0.00 0.00 175.76 176.98 2k5u s ALA 120 N -0.83 3.48 0.01 0.00 0.00 -1.26 -4.94 121.76 118.22 2k5u s ALA 120 Ca 0.23 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2k5u s ALA 120 Cb -0.16 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2k5u s ALA 120 CO 0.12 -1.29 0.08 -1.58 0.00 0.00 0.00 175.76 173.09 2k5u s TRP 121 N 2.85 3.26 -0.12 0.00 0.52 -1.10 -2.72 118.94 121.63 2k5u s TRP 121 Ca 0.28 0.18 -0.04 0.00 0.02 0.00 0.00 56.10 56.54 2k5u s TRP 121 Cb -0.14 -1.71 0.06 0.00 -1.15 0.00 0.00 33.47 30.52 2k5u s TRP 121 CO 0.14 0.54 0.17 -1.17 0.02 0.00 0.00 176.95 176.66 2k5u s LEU 122 N -1.86 -0.07 0.15 2.99 0.20 -0.96 -2.50 118.68 116.63 2k5u s LEU 122 Ca 0.24 0.18 -0.20 0.00 0.69 0.00 0.00 54.13 55.05 2k5u s LEU 122 Cb -0.12 0.29 -0.07 0.00 -0.43 0.00 0.00 46.19 45.86 2k5u s LEU 122 CO 0.15 -0.27 0.65 -0.69 -0.29 0.00 0.00 176.35 175.91 2k5u s VAL 123 N 2.30 4.64 -0.07 1.68 1.01 0.12 -1.06 120.40 129.02 2k5u s VAL 123 Ca 0.04 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.29 2k5u s VAL 123 Cb -0.13 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2k5u s VAL 123 CO -0.07 0.38 -0.13 -0.36 0.00 0.00 0.00 175.10 174.92 2k5u s PHE 124 N -1.31 1.54 -0.26 5.22 0.08 0.43 -2.14 117.98 121.53 2k5u s PHE 124 Ca 0.36 -0.58 -0.17 0.00 0.12 0.00 0.00 56.93 56.66 2k5u s PHE 124 Cb -0.18 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 2k5u s PHE 124 CO 0.21 -0.29 0.48 0.00 -0.10 0.00 0.00 175.22 175.52 2k5u s ALA 125 N 0.66 3.58 -0.30 5.36 0.00 0.94 -2.03 121.76 129.97 2k5u s ALA 125 Ca -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2k5u s ALA 125 Cb -0.16 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.16 2k5u s ALA 125 CO 0.04 -0.73 0.01 0.54 0.00 0.00 0.00 175.76 175.62 2k5u s ASN 126 N 1.57 4.92 0.00 0.00 4.22 -1.12 0.25 114.94 124.77 2k5u s ASN 126 Ca 0.20 -1.29 0.00 0.00 -2.14 0.00 0.00 52.86 49.63 2k5u s ASN 126 Cb -0.16 -1.72 0.00 0.00 1.28 0.00 0.00 41.25 40.65 2k5u s ASN 126 CO 0.09 -0.27 0.00 0.29 -2.04 0.00 0.00 177.10 175.17 2k5u n LYS 127 N 4.63 0.00 0.04 3.55 5.02 -0.63 -2.74 118.16 128.03 2k5u n LYS 127 Ca -0.13 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.27 2k5u n LYS 127 Cb 0.43 0.00 0.43 0.00 -0.02 0.00 0.00 35.03 35.87 2k5u n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k5u n GLN 128 N 0.00 0.07 0.19 1.97 1.13 0.86 -2.42 117.38 119.18 2k5u n GLN 128 Ca 0.00 0.23 0.08 0.00 -1.94 0.00 0.00 57.00 55.37 2k5u n GLN 128 Cb 0.00 -1.61 0.22 0.00 0.11 0.00 0.00 30.24 28.96 2k5u n GLN 128 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2k5u h ASP 129 N 0.00 0.00 -3.24 1.08 3.04 -1.93 -3.45 116.42 111.93 2k5u h ASP 129 Ca 0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2k5u h ASP 129 Cb 0.38 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.70 2k5u h ASP 129 CO 0.00 0.26 0.66 -0.76 -2.04 0.00 0.00 179.24 177.37 2k5u s LEU 130 N -6.46 4.40 0.00 0.15 1.43 -1.02 -4.90 118.68 112.27 2k5u s LEU 130 Ca 0.04 2.33 0.17 0.00 -1.03 0.00 0.00 54.13 55.64 2k5u s LEU 130 Cb 0.08 -3.60 0.82 0.00 0.03 0.00 0.00 46.19 43.52 2k5u s LEU 130 CO 0.68 -0.56 1.54 -0.81 0.23 0.00 0.00 176.35 177.44 2k5u n PRO 131 N 3.22 0.14 0.00 1.29 -0.04 -1.26 -2.47 135.00 135.87 2k5u n PRO 131 Ca 0.08 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2k5u n PRO 131 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2k5u n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k5u n GLU 132 N -1.38 2.67 -2.83 0.54 -0.58 -1.26 -5.05 120.64 112.74 2k5u n GLU 132 Ca 0.06 -1.41 -0.34 0.00 -0.42 0.00 0.00 57.16 55.06 2k5u n GLU 132 Cb 0.17 -0.98 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 2k5u n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5u s ALA 133 N -0.91 3.09 0.46 0.62 0.00 -1.03 -4.93 121.76 119.06 2k5u s ALA 133 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.16 2k5u s ALA 133 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 2k5u s ALA 133 CO 0.00 0.15 0.98 -1.64 0.00 0.00 0.00 175.76 175.26 2k5u s MET 134 N -2.93 4.04 0.45 0.00 -1.94 0.11 -4.98 119.30 114.05 2k5u s MET 134 Ca 0.59 1.18 -0.17 0.00 -1.71 0.00 0.00 55.69 55.58 2k5u s MET 134 Cb -0.11 -2.14 -0.09 0.00 2.01 0.00 0.00 34.83 34.50 2k5u s MET 134 CO 0.15 -0.21 0.91 0.45 -0.01 0.00 0.00 175.02 176.32 2k5u s SER 135 N -2.25 6.72 0.45 3.03 0.15 -1.26 -4.83 113.70 115.71 2k5u s SER 135 Ca 0.63 1.51 0.15 0.00 0.70 0.00 0.00 55.95 58.94 2k5u s SER 135 Cb -0.12 -2.48 1.09 0.00 -1.71 0.00 0.00 66.02 62.81 2k5u s SER 135 CO 0.18 -0.45 2.01 0.00 1.20 0.00 0.00 173.24 176.18 2k5u h ALA 136 N 1.42 2.05 0.02 5.45 0.00 -1.96 0.41 119.26 126.65 2k5u h ALA 136 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k5u h ALA 136 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k5u h ALA 136 CO 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 2k5u h ALA 137 N 1.74 -0.03 -0.12 0.00 0.00 -1.97 0.22 119.26 119.10 2k5u h ALA 137 Ca 0.23 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2k5u h ALA 137 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k5u h ALA 137 CO -0.05 -0.33 -0.43 1.49 0.00 0.00 0.00 179.25 179.92 2k5u h GLU 138 N -0.40 0.27 -0.31 0.00 4.81 -1.79 -2.77 114.58 114.38 2k5u h GLU 138 Ca -0.00 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2k5u h GLU 138 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2k5u h GLU 138 CO 0.01 0.66 -0.05 0.82 -0.73 0.00 0.00 179.01 179.72 2k5u h ILE 139 N 0.23 1.27 -0.83 2.32 2.04 -0.11 -1.23 117.51 121.20 2k5u h ILE 139 Ca 0.02 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2k5u h ILE 139 Cb 0.86 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2k5u h ILE 139 CO 0.07 0.34 0.54 0.71 0.00 0.00 0.00 178.15 179.81 2k5u h THR 140 N 0.37 1.07 -0.07 -0.27 1.35 -0.39 0.21 112.91 115.18 2k5u h THR 140 Ca 0.08 -0.33 -0.19 0.00 -0.55 0.00 0.00 66.41 65.43 2k5u h THR 140 Cb 0.52 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.98 2k5u h THR 140 CO 0.03 0.17 -0.74 -0.33 -0.25 0.00 0.00 175.52 174.40 2k5u h GLU 141 N 0.95 0.40 -0.38 4.72 4.39 -1.30 1.22 114.58 124.58 2k5u h GLU 141 Ca 0.35 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 2k5u h GLU 141 Cb 0.17 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k5u h GLU 141 CO -0.12 0.97 -0.32 -0.22 -1.16 0.00 0.00 179.01 178.17 2k5u h LYS 142 N 0.27 0.88 -0.09 2.33 1.63 -0.02 -2.87 116.57 118.69 2k5u h LYS 142 Ca -0.03 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2k5u h LYS 142 Cb 1.32 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2k5u h LYS 142 CO 0.13 1.09 0.00 1.47 -3.45 0.00 0.00 179.45 178.69 2k5u n LEU 143 N -4.14 0.97 -0.73 5.20 -0.00 0.63 -4.81 117.00 114.13 2k5u n LEU 143 Ca -0.02 -0.39 -0.09 0.00 -0.00 0.00 0.00 56.01 55.50 2k5u n LEU 143 Cb 0.50 -0.05 -0.03 0.00 -0.00 0.00 0.00 43.42 43.84 2k5u n LEU 143 CO 0.47 0.20 -0.09 0.61 -0.00 0.00 0.00 177.39 178.58 2k5u n GLY 144 N 1.00 0.91 0.29 1.47 0.00 -0.89 -4.71 105.19 103.26 2k5u n GLY 144 Ca 0.16 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2k5u n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k5u h LEU 145 N 0.00 0.00 -0.47 0.99 7.12 0.13 0.20 115.31 123.28 2k5u h LEU 145 Ca -0.19 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.75 2k5u h LEU 145 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 2k5u h LEU 145 CO 0.26 0.00 -0.37 -0.74 -0.13 0.00 0.00 178.44 177.47 2k5u h HIS 146 N 0.00 0.00 0.00 1.25 2.76 -1.86 -2.94 115.15 114.35 2k5u h HIS 146 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2k5u h HIS 146 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2k5u h HIS 146 CO 0.00 0.37 0.00 -1.13 -1.30 0.00 0.00 177.93 175.87 2k5u n SER 147 N -3.31 0.00 -4.78 3.26 3.41 0.71 -4.63 113.62 108.28 2k5u n SER 147 Ca 0.01 0.35 -0.37 0.00 -0.26 0.00 0.00 58.87 58.61 2k5u n SER 147 Cb 0.60 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.07 2k5u n SER 147 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k5u s ILE 148 N -2.83 5.31 1.03 -1.33 1.01 -1.11 -5.07 121.20 118.21 2k5u s ILE 148 Ca 0.07 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 61.00 2k5u s ILE 148 Cb 0.07 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 2k5u s ILE 148 CO 0.18 0.47 -0.64 -1.14 0.00 0.00 0.00 174.94 173.81 2k5u n ARG 149 N 2.95 -0.51 -2.98 2.79 3.00 -1.26 -4.88 116.66 115.77 2k5u n ARG 149 Ca -0.14 -0.14 -0.41 0.00 -0.00 0.00 0.00 57.85 57.16 2k5u n ARG 149 Cb 0.53 -1.34 -0.05 0.00 0.00 0.00 0.00 32.46 31.60 2k5u n ARG 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2k5u s ASN 150 N -1.40 6.94 0.00 6.15 -0.87 -1.26 -4.05 114.94 120.44 2k5u s ASN 150 Ca 0.46 1.14 0.00 0.00 -1.57 0.00 0.00 52.86 52.89 2k5u s ASN 150 Cb -0.07 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 2k5u s ASN 150 CO 0.70 -0.27 0.00 0.54 -2.57 0.00 0.00 177.10 175.50 2k5u n ARG 151 N 4.61 0.00 -0.39 -0.60 5.12 -1.26 -5.00 116.66 119.14 2k5u n ARG 151 Ca 0.01 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.83 2k5u n ARG 151 Cb 0.50 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.70 2k5u n ARG 151 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2k5u h PRO 152 N 0.00 -0.01 -4.83 5.56 0.11 -1.94 -3.45 132.00 127.44 2k5u h PRO 152 Ca 0.00 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.70 2k5u h PRO 152 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 30.98 2k5u h PRO 152 CO 0.00 -0.01 -0.53 1.67 -0.21 0.00 0.00 178.00 178.92 2k5u s TRP 153 N -5.39 1.59 0.08 0.65 -2.14 -1.25 -2.71 118.94 109.78 2k5u s TRP 153 Ca -0.12 -1.54 0.02 0.00 2.66 0.00 0.00 56.10 57.12 2k5u s TRP 153 Cb 0.10 -0.71 -0.04 0.00 -3.10 0.00 0.00 33.47 29.73 2k5u s TRP 153 CO 0.59 -0.75 -0.07 -0.06 -2.66 0.00 0.00 176.95 174.00 2k5u s PHE 154 N -3.64 0.84 0.02 1.66 0.08 -1.04 -4.98 117.98 110.92 2k5u s PHE 154 Ca 0.39 -0.77 0.07 0.00 0.12 0.00 0.00 56.93 56.74 2k5u s PHE 154 Cb 0.04 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 41.97 2k5u s PHE 154 CO 0.22 -0.12 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.51 2k5u s ILE 155 N -2.86 2.52 -0.13 0.64 1.10 -1.26 0.14 121.20 121.36 2k5u s ILE 155 Ca 0.05 -1.19 -0.06 0.00 -0.51 0.00 0.00 60.65 58.94 2k5u s ILE 155 Cb 0.00 -2.01 0.05 0.00 0.15 0.00 0.00 42.46 40.65 2k5u s ILE 155 CO -0.03 0.41 0.30 -1.58 -2.11 0.00 0.00 174.94 171.93 2k5u s GLN 156 N -1.19 0.26 0.03 3.50 2.00 -0.91 -4.98 119.66 118.38 2k5u s GLN 156 Ca 0.13 0.62 -0.21 0.00 -2.00 0.00 0.00 55.36 53.90 2k5u s GLN 156 Cb -0.10 -0.08 -0.06 0.00 0.80 0.00 0.00 33.01 33.56 2k5u s GLN 156 CO 0.03 -0.17 0.62 0.00 -0.50 0.00 0.00 175.29 175.27 2k5u s ALA 157 N 1.35 3.50 0.30 1.58 0.00 -1.26 -0.04 121.76 127.20 2k5u s ALA 157 Ca -0.09 0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 2k5u s ALA 157 Cb -0.10 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2k5u s ALA 157 CO -0.10 0.23 0.49 0.95 0.00 0.00 0.00 175.76 177.33 2k5u s THR 158 N -0.48 0.00 -0.21 0.00 -4.23 0.14 -4.75 115.64 106.10 2k5u s THR 158 Ca 0.31 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2k5u s THR 158 Cb -0.19 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.22 2k5u s THR 158 CO 0.19 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.28 2k5u h ALA 160 N 8.14 1.73 0.18 0.00 0.00 -1.88 -1.49 119.26 125.93 2k5u h ALA 160 Ca -0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k5u h ALA 160 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k5u h ALA 160 CO 0.37 0.12 -0.09 1.79 0.00 0.00 0.00 179.25 181.44 2k5u h THR 161 N 0.00 0.80 0.00 0.00 1.35 -1.96 -3.31 112.91 109.79 2k5u h THR 161 Ca -0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2k5u h THR 161 Cb 0.18 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2k5u h THR 161 CO 0.01 0.20 -0.14 -0.24 -0.25 0.00 0.00 175.52 175.11 2k5u n SER 162 N -4.94 0.20 0.00 5.36 2.88 -1.23 -4.90 113.62 110.99 2k5u n SER 162 Ca -0.08 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2k5u n SER 162 Cb 0.26 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2k5u n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5u n GLY 163 N 1.48 0.59 3.64 0.46 0.00 -0.57 -4.96 105.19 105.83 2k5u n GLY 163 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2k5u n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5u s GLU 164 N -0.35 3.98 0.00 1.61 2.12 -1.18 -2.57 118.70 122.31 2k5u s GLU 164 Ca 0.00 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.69 2k5u s GLU 164 Cb 0.00 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.53 2k5u s GLU 164 CO 0.00 -1.04 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 2k5u n GLY 165 N 4.18 3.09 0.13 -1.50 0.00 -1.26 -1.28 105.19 108.56 2k5u n GLY 165 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2k5u n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k5u h LEU 166 N 0.00 0.37 -0.07 0.99 3.38 -1.78 0.32 115.31 118.51 2k5u h LEU 166 Ca 0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2k5u h LEU 166 Cb 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2k5u h LEU 166 CO 0.00 0.72 0.01 1.88 0.09 0.00 0.00 178.44 181.14 2k5u h TYR 167 N 0.01 0.14 0.00 1.13 0.05 -1.92 -1.85 116.97 114.53 2k5u h TYR 167 Ca 0.03 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2k5u h TYR 167 Cb 0.59 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2k5u h TYR 167 CO 0.07 0.37 -0.24 0.93 -1.05 0.00 0.00 178.16 178.24 2k5u h GLU 168 N -0.14 0.00 -0.09 4.88 5.08 -1.89 0.75 114.58 123.17 2k5u h GLU 168 Ca 0.02 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2k5u h GLU 168 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k5u h GLU 168 CO 0.00 0.24 -0.31 0.78 -1.00 0.00 0.00 179.01 178.72 2k5u h GLY 169 N 0.76 0.40 0.71 -3.84 0.00 -0.76 -1.94 103.07 98.40 2k5u h GLY 169 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 2k5u h GLY 169 CO 0.03 0.48 -0.18 0.17 0.00 0.00 0.00 176.54 177.04 2k5u h LEU 170 N -0.10 0.36 -0.56 3.11 8.10 -1.20 -0.88 115.31 124.13 2k5u h LEU 170 Ca -0.01 -0.53 0.10 0.00 0.11 0.00 0.00 57.88 57.55 2k5u h LEU 170 Cb 0.95 -0.10 -0.08 0.00 -0.44 0.00 0.00 40.66 40.99 2k5u h LEU 170 CO 0.07 0.81 0.13 -0.33 -4.11 0.00 0.00 178.44 175.01 2k5u h GLU 171 N -0.09 0.26 -0.33 0.17 5.08 -0.94 0.45 114.58 119.20 2k5u h GLU 171 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k5u h GLU 171 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2k5u h GLU 171 CO 0.04 0.18 0.12 2.35 -1.00 0.00 0.00 179.01 180.70 2k5u h TRP 172 N 0.27 0.51 -0.74 4.33 7.01 -1.31 -2.54 115.95 123.49 2k5u h TRP 172 Ca 0.29 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.29 2k5u h TRP 172 Cb 0.40 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 2k5u h TRP 172 CO -0.23 0.49 0.49 1.25 -2.79 0.00 0.00 178.44 177.65 2k5u h LEU 173 N 0.38 0.76 -0.69 0.65 5.85 0.22 -2.02 115.31 120.47 2k5u h LEU 173 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2k5u h LEU 173 Cb 0.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2k5u h LEU 173 CO -0.01 0.52 0.39 0.77 -0.34 0.00 0.00 178.44 179.78 2k5u h SER 174 N 0.88 0.84 -0.37 1.25 4.64 0.26 -1.60 113.55 119.46 2k5u h SER 174 Ca 0.30 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2k5u h SER 174 Cb 0.09 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2k5u h SER 174 CO -0.09 0.68 0.24 0.78 -0.87 0.00 0.00 176.83 177.57 2k5u h ASN 175 N 0.94 0.42 -0.35 4.97 2.35 -1.07 1.19 115.58 124.03 2k5u h ASN 175 Ca 0.24 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 2k5u h ASN 175 Cb 0.01 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2k5u h ASN 175 CO -0.04 0.30 0.01 0.77 -1.65 0.00 0.00 177.43 176.82 2k5u h SER 176 N 0.50 0.68 1.40 5.81 4.64 -1.29 0.90 113.55 126.18 2k5u h SER 176 Ca 0.14 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 2k5u h SER 176 Cb -0.06 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2k5u h SER 176 CO -0.03 0.75 -0.62 -0.07 -0.87 0.00 0.00 176.83 176.00 2k5u h LEU 177 N 0.68 0.00 0.00 5.97 4.07 -0.87 -3.39 115.31 121.77 2k5u h LEU 177 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2k5u h LEU 177 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2k5u h LEU 177 CO 0.02 0.49 -0.06 0.50 -1.08 0.00 0.00 178.44 178.31 2k5u h LYS 178 N 0.00 0.00 0.00 1.13 3.64 0.20 -3.48 116.57 118.06 2k5u h LYS 178 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2k5u h LYS 178 Cb 1.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2k5u h LYS 178 CO 0.06 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.33 2k5u n ASN 179 N -2.52 0.00 0.00 4.20 5.03 0.31 -4.46 115.26 117.81 2k5u n ASN 179 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2k5u n ASN 179 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 2k5u n ASN 179 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2k5u n SER 180 N 2.54 0.00 0.00 6.41 3.41 -1.26 -5.07 113.62 119.65 2k5u n SER 180 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k5u n SER 180 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k5u n SER 180 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95