#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd6 s LEU 3 N 0.00 2.50 -0.10 2.46 1.98 -1.26 -0.19 118.68 124.07 3kd6 s LEU 3 Ca 0.00 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 50.74 3kd6 s LEU 3 Cb 0.00 -1.59 -0.02 0.00 0.66 0.00 0.00 46.19 45.24 3kd6 s LEU 3 CO 0.00 0.03 -0.11 -0.22 -1.89 0.00 0.00 176.35 174.16 3kd6 s LEU 4 N 1.15 2.90 -0.05 -0.68 1.98 0.45 -0.76 118.68 123.67 3kd6 s LEU 4 Ca 0.01 -0.20 0.04 0.00 -2.89 0.00 0.00 54.13 51.09 3kd6 s LEU 4 Cb -0.14 -1.64 0.00 0.00 0.66 0.00 0.00 46.19 45.07 3kd6 s LEU 4 CO -0.05 0.25 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.80 3kd6 s VAL 5 N -0.15 1.47 0.23 1.68 1.01 0.12 -0.91 120.40 123.86 3kd6 s VAL 5 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3kd6 s VAL 5 Cb -0.13 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3kd6 s VAL 5 CO 0.03 0.42 -0.05 0.27 0.00 0.00 0.00 175.10 175.77 3kd6 s ILE 6 N 0.19 1.32 -5.00 2.22 -4.36 -0.95 -1.99 121.20 112.63 3kd6 s ILE 6 Ca -0.08 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.23 3kd6 s ILE 6 Cb -0.13 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.33 3kd6 s ILE 6 CO 0.03 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.40 3kd6 n GLY 7 N -0.42 -0.07 3.85 6.27 0.00 -1.26 -1.35 105.19 112.21 3kd6 n GLY 7 Ca -0.06 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 3kd6 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kd6 s SER 8 N -4.00 6.65 -0.11 1.61 1.04 -1.18 -4.55 113.70 113.15 3kd6 s SER 8 Ca 0.00 1.37 0.01 0.00 0.48 0.00 0.00 55.95 57.82 3kd6 s SER 8 Cb 0.00 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.72 3kd6 s SER 8 CO 0.00 -0.43 -0.14 -0.76 0.98 0.00 0.00 173.24 172.89 3kd6 s LEU 9 N -3.70 1.66 0.00 2.42 2.01 -1.26 -1.04 118.68 118.76 3kd6 s LEU 9 Ca 0.56 -0.41 -0.09 0.00 0.01 0.00 0.00 54.13 54.20 3kd6 s LEU 9 Cb -0.10 -1.05 0.03 0.00 0.01 0.00 0.00 46.19 45.09 3kd6 s LEU 9 CO 0.27 -0.00 0.50 0.00 1.01 0.00 0.00 176.35 178.12 3kd6 n ALA 10 N 4.28 -1.03 -3.49 4.21 0.00 0.21 -3.86 120.51 120.84 3kd6 n ALA 10 Ca -0.19 -0.89 -0.31 0.00 0.00 0.00 0.00 53.44 52.05 3kd6 n ALA 10 Cb 0.51 0.71 -0.17 0.00 0.00 0.00 0.00 19.45 20.51 3kd6 n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kd6 s PHE 11 N -4.28 2.46 -0.04 0.00 0.08 -0.90 0.48 117.98 115.79 3kd6 s PHE 11 Ca 0.12 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 56.07 3kd6 s PHE 11 Cb -0.03 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3kd6 s PHE 11 CO 0.09 -0.50 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.09 3kd6 s ASP 12 N 0.66 4.37 -0.43 1.36 -0.00 0.21 -2.18 116.67 120.65 3kd6 s ASP 12 Ca -0.12 -0.14 -0.10 0.00 -0.00 0.00 0.00 52.55 52.19 3kd6 s ASP 12 Cb -0.16 -1.00 0.08 0.00 -0.00 0.00 0.00 42.92 41.84 3kd6 s ASP 12 CO 0.02 0.33 0.28 -1.81 -0.00 0.00 0.00 175.17 174.00 3kd6 s ASP 13 N -0.98 5.72 -0.14 0.27 -0.00 0.31 -0.72 116.67 121.14 3kd6 s ASP 13 Ca 0.13 -1.48 -0.04 0.00 -0.00 0.00 0.00 52.55 51.16 3kd6 s ASP 13 Cb -0.11 -2.02 -0.03 0.00 -0.00 0.00 0.00 42.92 40.76 3kd6 s ASP 13 CO 0.03 -0.56 0.00 -0.63 -0.00 0.00 0.00 175.17 174.01 3kd6 s ILE 14 N 1.46 4.28 -0.03 0.77 1.01 0.23 -1.38 121.20 127.54 3kd6 s ILE 14 Ca 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3kd6 s ILE 14 Cb -0.23 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3kd6 s ILE 14 CO 0.03 0.52 -0.12 -0.70 0.00 0.00 0.00 174.94 174.67 3kd6 s GLU 15 N -0.07 1.24 0.35 2.79 2.12 -0.43 -0.46 118.70 124.24 3kd6 s GLU 15 Ca 0.04 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.00 3kd6 s GLU 15 Cb -0.13 -1.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 3kd6 s GLU 15 CO 0.02 0.15 0.10 0.95 -0.54 0.00 0.00 175.26 175.94 3kd6 s THR 16 N 0.17 0.76 -0.46 -1.70 -4.23 -0.07 -0.57 115.64 109.54 3kd6 s THR 16 Ca -0.04 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.71 3kd6 s THR 16 Cb -0.10 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.45 3kd6 s THR 16 CO 0.01 0.00 1.72 -2.65 -0.54 0.00 0.00 174.62 173.16 3kd6 n PRO 17 N -0.75 0.21 -0.01 3.99 -0.02 -1.26 -3.32 135.00 133.84 3kd6 n PRO 17 Ca -0.03 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 3kd6 n PRO 17 Cb 0.66 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 32.10 3kd6 n PRO 17 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kd6 n PHE 18 N -2.27 0.00 -3.98 6.00 3.72 -1.26 -5.07 117.46 114.59 3kd6 n PHE 18 Ca 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3kd6 n PHE 18 Cb 0.24 -0.39 0.01 0.00 -0.94 0.00 0.00 39.48 38.40 3kd6 n PHE 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kd6 n GLY 19 N 1.39 0.30 3.21 1.37 0.00 -1.21 -5.18 105.19 105.07 3kd6 n GLY 19 Ca -0.03 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3kd6 n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kd6 s ARG 20 N -2.01 0.80 -0.18 1.61 1.70 -1.26 -0.89 118.95 118.72 3kd6 s ARG 20 Ca 0.20 -0.75 -0.05 0.00 -0.47 0.00 0.00 55.73 54.66 3kd6 s ARG 20 Cb -0.00 0.33 0.07 0.00 -0.57 0.00 0.00 34.95 34.78 3kd6 s ARG 20 CO -0.01 -0.25 0.10 0.45 -1.08 0.00 0.00 175.30 174.51 3kd6 s SER 21 N -2.46 2.42 0.28 -2.89 0.15 0.39 -5.00 113.70 106.60 3kd6 s SER 21 Ca -0.00 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.99 3kd6 s SER 21 Cb 0.02 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 3kd6 s SER 21 CO -0.07 -0.36 0.47 -1.81 1.20 0.00 0.00 173.24 172.67 3kd6 s ASP 22 N 2.14 6.34 -1.40 5.45 1.01 -1.26 -0.60 116.67 128.35 3kd6 s ASP 22 Ca 0.03 0.41 -0.11 0.00 0.71 0.00 0.00 52.55 53.59 3kd6 s ASP 22 Cb -0.16 -2.01 0.08 0.00 1.01 0.00 0.00 42.92 41.84 3kd6 s ASP 22 CO -0.12 -0.18 0.62 0.59 0.21 0.00 0.00 175.17 176.30 3kd6 n ASN 23 N -1.30 -4.01 -4.73 0.27 5.03 -1.04 -4.91 115.26 104.57 3kd6 n ASN 23 Ca -0.05 -0.54 -0.41 0.00 0.87 0.00 0.00 54.58 54.45 3kd6 n ASN 23 Cb 0.55 -3.28 -0.04 0.00 -1.02 0.00 0.00 39.78 35.99 3kd6 n ASN 23 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kd6 s THR 24 N -3.06 4.40 0.28 3.41 2.01 0.10 -4.72 115.64 118.07 3kd6 s THR 24 Ca 0.49 1.99 -0.30 0.00 0.31 0.00 0.00 61.69 64.18 3kd6 s THR 24 Cb -0.26 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 67.88 3kd6 s THR 24 CO 0.60 0.30 1.52 -0.22 -0.69 0.00 0.00 174.62 176.13 3kd6 s LEU 25 N -0.00 4.36 0.00 4.42 1.98 -1.26 0.66 118.68 128.84 3kd6 s LEU 25 Ca 0.48 2.83 0.00 0.00 -2.89 0.00 0.00 54.13 54.55 3kd6 s LEU 25 Cb -0.24 -3.63 0.00 0.00 0.66 0.00 0.00 46.19 42.98 3kd6 s LEU 25 CO 0.30 -0.81 0.00 0.61 -1.89 0.00 0.00 176.35 174.56 3kd6 n GLY 26 N 2.05 2.86 0.00 7.98 0.00 0.18 -4.39 105.19 113.86 3kd6 n GLY 26 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3kd6 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd6 n GLY 27 N 0.00 2.49 0.35 -0.02 0.00 -1.26 -0.62 105.19 106.13 3kd6 n GLY 27 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.40 3kd6 n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kd6 h SER 28 N 0.00 0.93 -0.70 1.61 4.64 -1.75 -2.34 113.55 115.94 3kd6 h SER 28 Ca 0.00 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3kd6 h SER 28 Cb 0.00 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 3kd6 h SER 28 CO 0.00 0.59 0.45 -1.28 -0.87 0.00 0.00 176.83 175.72 3kd6 h SER 29 N 1.06 0.77 -0.14 4.97 0.87 -1.32 -1.34 113.55 118.43 3kd6 h SER 29 Ca 0.41 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3kd6 h SER 29 Cb 0.19 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3kd6 h SER 29 CO -0.18 0.55 0.08 0.74 -0.53 0.00 0.00 176.83 177.49 3kd6 h THR 30 N 0.92 1.08 -0.47 2.23 2.02 -1.50 -0.55 112.91 116.64 3kd6 h THR 30 Ca 0.26 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3kd6 h THR 30 Cb -0.07 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3kd6 h THR 30 CO -0.07 0.07 0.06 1.88 0.37 0.00 0.00 175.52 177.83 3kd6 h TYR 31 N 0.14 0.85 -0.12 3.16 0.05 -1.31 -1.39 116.97 118.34 3kd6 h TYR 31 Ca 0.05 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3kd6 h TYR 31 Cb 0.05 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 3kd6 h TYR 31 CO -0.05 0.80 0.04 0.82 -1.05 0.00 0.00 178.16 178.72 3kd6 h ILE 32 N 0.65 1.16 -0.28 -2.88 2.04 -1.17 -2.30 117.51 114.75 3kd6 h ILE 32 Ca 0.14 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3kd6 h ILE 32 Cb 0.42 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3kd6 h ILE 32 CO 0.01 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.39 3kd6 h ALA 33 N 0.87 0.37 -0.77 1.87 0.00 -1.08 0.56 119.26 121.09 3kd6 h ALA 33 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kd6 h ALA 33 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3kd6 h ALA 33 CO -0.00 0.01 0.44 -0.07 0.00 0.00 0.00 179.25 179.62 3kd6 h LEU 34 N 0.29 0.94 -0.09 0.00 3.38 -1.28 -1.69 115.31 116.87 3kd6 h LEU 34 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kd6 h LEU 34 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kd6 h LEU 34 CO -0.00 0.75 -0.03 -1.28 0.09 0.00 0.00 178.44 177.98 3kd6 h SER 35 N 1.05 0.18 -0.08 -0.43 0.87 -1.29 -3.19 113.55 110.66 3kd6 h SER 35 Ca 0.27 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3kd6 h SER 35 Cb 0.01 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3kd6 h SER 35 CO -0.05 0.52 0.03 0.00 -0.53 0.00 0.00 176.83 176.81 3kd6 h ALA 36 N 0.66 1.83 -0.03 6.23 0.00 -0.75 -2.51 119.26 124.69 3kd6 h ALA 36 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kd6 h ALA 36 Cb 0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kd6 h ALA 36 CO 0.01 0.14 0.05 0.66 0.00 0.00 0.00 179.25 180.11 3kd6 h SER 37 N 0.17 0.00 0.68 0.00 4.64 -1.29 0.20 113.55 117.95 3kd6 h SER 37 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3kd6 h SER 37 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3kd6 h SER 37 CO -0.00 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.84 3kd6 h TYR 38 N 0.00 0.00 0.00 4.77 -1.99 -1.58 -3.30 116.97 114.88 3kd6 h TYR 38 Ca 0.01 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.56 3kd6 h TYR 38 Cb 0.11 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 3kd6 h TYR 38 CO 0.00 0.00 -1.70 1.19 -0.00 0.00 0.00 178.16 177.65 3kd6 n PHE 39 N -2.43 0.00 -2.99 4.88 3.72 0.03 -5.03 117.46 115.65 3kd6 n PHE 39 Ca 0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 3kd6 n PHE 39 Cb 0.22 -0.50 -0.05 0.00 -0.94 0.00 0.00 39.48 38.21 3kd6 n PHE 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kd6 s THR 40 N -2.25 4.74 -0.70 4.37 -4.23 -1.03 -4.68 115.64 111.87 3kd6 s THR 40 Ca -0.06 0.76 0.11 0.00 -1.18 0.00 0.00 61.69 61.32 3kd6 s THR 40 Cb 0.03 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.52 3kd6 s THR 40 CO 0.40 -0.36 1.26 -0.90 -0.54 0.00 0.00 174.62 174.48 3kd6 n ASP 41 N -0.86 3.02 -4.00 3.99 5.75 -1.26 -4.91 116.55 118.28 3kd6 n ASP 41 Ca 0.03 -2.20 -0.12 0.00 -0.01 0.00 0.00 54.79 52.48 3kd6 n ASP 41 Cb 0.54 -0.27 -0.12 0.00 -1.03 0.00 0.00 41.12 40.23 3kd6 n ASP 41 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3kd6 s GLU 42 N -1.37 0.39 0.11 0.11 -1.05 -1.26 -5.12 118.70 110.51 3kd6 s GLU 42 Ca 0.25 -0.54 -0.36 0.00 -0.15 0.00 0.00 54.97 54.17 3kd6 s GLU 42 Cb 0.15 -0.16 -0.16 0.00 -0.44 0.00 0.00 34.13 33.52 3kd6 s GLU 42 CO 0.13 0.02 1.29 -0.35 0.95 0.00 0.00 175.26 177.30 3kd6 n PRO 43 N 1.92 1.14 -2.50 -4.83 -0.04 -1.25 -4.94 135.00 124.51 3kd6 n PRO 43 Ca -0.20 0.41 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 3kd6 n PRO 43 Cb 0.56 -2.01 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 3kd6 n PRO 43 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kd6 s ILE 44 N 0.29 3.60 0.52 0.52 1.01 -1.25 -4.62 121.20 121.26 3kd6 s ILE 44 Ca 0.81 1.55 0.01 0.00 0.00 0.00 0.00 60.65 63.03 3kd6 s ILE 44 Cb -0.93 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 37.66 3kd6 s ILE 44 CO 0.48 0.34 0.71 0.54 0.00 0.00 0.00 174.94 177.02 3kd6 n ARG 45 N 1.51 0.21 -3.43 2.79 1.74 0.07 -0.29 116.66 119.26 3kd6 n ARG 45 Ca -0.00 -2.07 0.02 0.00 -0.77 0.00 0.00 57.85 55.03 3kd6 n ARG 45 Cb 0.45 -0.43 -0.05 0.00 -1.02 0.00 0.00 32.46 31.42 3kd6 n ARG 45 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kd6 s VAL 47 N -2.10 -0.08 0.00 1.55 1.01 -0.84 0.15 120.40 120.09 3kd6 s VAL 47 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3kd6 s VAL 47 Cb -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3kd6 s VAL 47 CO 0.32 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3kd6 n GLY 48 N 3.96 1.02 3.34 4.51 0.00 -0.97 -4.22 105.19 112.84 3kd6 n GLY 48 Ca -0.12 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 3kd6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd6 s VAL 49 N -2.23 0.01 0.14 1.61 0.11 -1.26 -0.71 120.40 118.07 3kd6 s VAL 49 Ca 0.00 -0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 3kd6 s VAL 49 Cb 0.00 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3kd6 s VAL 49 CO 0.00 -0.06 0.04 0.68 -3.33 0.00 0.00 175.10 172.43 3kd6 s VAL 50 N -0.23 0.27 0.76 2.04 -7.23 0.11 -4.68 120.40 111.44 3kd6 s VAL 50 Ca -0.04 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 3kd6 s VAL 50 Cb -0.03 -2.03 0.15 0.00 0.56 0.00 0.00 36.38 35.03 3kd6 s VAL 50 CO 0.02 -0.50 1.05 -0.83 -0.31 0.00 0.00 175.10 174.53 3kd6 s GLY 51 N -3.07 1.76 0.00 2.32 0.00 -1.26 -1.05 107.32 106.01 3kd6 s GLY 51 Ca 0.23 -1.77 0.12 0.00 0.00 0.00 0.00 44.72 43.30 3kd6 s GLY 51 CO 0.02 -1.14 1.39 -1.14 0.00 0.00 0.00 173.10 172.22 3kd6 n SER 52 N -2.98 0.00 -0.58 1.64 3.41 -0.56 -2.00 113.62 112.55 3kd6 n SER 52 Ca 0.16 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 3kd6 n SER 52 Cb 0.61 -0.46 0.38 0.00 -0.26 0.00 0.00 64.21 64.47 3kd6 n SER 52 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kd6 n ASP 53 N -1.46 1.75 -4.46 4.04 5.75 -1.26 -4.68 116.55 116.24 3kd6 n ASP 53 Ca 0.04 -1.70 -0.43 0.00 -0.01 0.00 0.00 54.79 52.68 3kd6 n ASP 53 Cb 0.14 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 3kd6 n ASP 53 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kd6 s PHE 54 N -1.80 2.88 1.03 2.11 5.36 -0.85 -4.99 117.98 121.71 3kd6 s PHE 54 Ca 0.33 -0.96 -0.12 0.00 -0.96 0.00 0.00 56.93 55.23 3kd6 s PHE 54 Cb 0.18 -4.30 0.21 0.00 -0.34 0.00 0.00 43.02 38.77 3kd6 s PHE 54 CO 0.27 -1.58 1.08 0.20 -1.46 0.00 0.00 175.22 173.73 3kd6 s GLY 55 N 3.73 1.60 0.39 13.12 0.00 -1.26 -4.91 107.32 119.99 3kd6 s GLY 55 Ca 0.28 0.06 0.07 0.00 0.00 0.00 0.00 44.72 45.13 3kd6 s GLY 55 CO 0.00 0.64 2.03 0.50 0.00 0.00 0.00 173.10 176.27 3kd6 h LYS 56 N -2.14 0.61 -0.67 2.90 1.57 -1.97 -2.23 116.57 114.63 3kd6 h LYS 56 Ca -0.54 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.30 3kd6 h LYS 56 Cb 1.30 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 3kd6 h LYS 56 CO 0.49 0.41 0.45 1.05 -0.57 0.00 0.00 179.45 181.28 3kd6 h GLU 57 N 0.63 0.54 0.06 3.15 4.11 -1.99 0.13 114.58 121.22 3kd6 h GLU 57 Ca 0.20 -0.03 -0.28 0.00 0.07 0.00 0.00 59.36 59.32 3kd6 h GLU 57 Cb 0.03 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.18 3kd6 h GLU 57 CO -0.05 0.36 -1.13 0.45 0.07 0.00 0.00 179.01 178.71 3kd6 h HIS 58 N 0.56 0.93 -0.35 2.06 3.86 -1.76 -2.36 115.15 118.09 3kd6 h HIS 58 Ca 0.31 -0.55 -0.10 0.00 -1.16 0.00 0.00 60.37 58.87 3kd6 h HIS 58 Cb 0.46 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3kd6 h HIS 58 CO -0.00 1.39 -0.19 0.74 0.86 0.00 0.00 177.93 180.73 3kd6 h PHE 59 N 0.30 0.72 -0.41 2.45 0.04 -1.37 -2.60 116.94 116.07 3kd6 h PHE 59 Ca -0.15 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.42 3kd6 h PHE 59 Cb 1.79 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.74 3kd6 h PHE 59 CO 0.10 0.79 0.01 -0.44 -0.60 0.00 0.00 178.31 178.17 3kd6 h ASP 60 N 0.58 0.61 -0.53 2.17 3.32 -0.71 0.55 116.42 122.42 3kd6 h ASP 60 Ca 0.09 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3kd6 h ASP 60 Cb 0.64 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3kd6 h ASP 60 CO 0.05 0.68 -0.07 0.25 -1.72 0.00 0.00 179.24 178.43 3kd6 h LEU 61 N 0.62 0.98 -0.15 1.55 5.85 -1.09 0.24 115.31 123.30 3kd6 h LEU 61 Ca 0.13 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3kd6 h LEU 61 Cb 0.38 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kd6 h LEU 61 CO 0.01 1.08 -0.09 -0.07 -0.34 0.00 0.00 178.44 179.04 3kd6 h LEU 62 N 0.85 0.34 -2.05 2.25 3.38 -1.13 -2.96 115.31 115.99 3kd6 h LEU 62 Ca 0.14 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3kd6 h LEU 62 Cb 0.62 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3kd6 h LEU 62 CO 0.04 0.69 -0.05 0.45 0.09 0.00 0.00 178.44 179.66 3kd6 h HIS 63 N -0.01 0.00 0.00 1.13 3.86 -0.80 -0.69 115.15 118.64 3kd6 h HIS 63 Ca 0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3kd6 h HIS 63 Cb 0.57 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 3kd6 h HIS 63 CO 0.07 0.05 -0.08 0.00 0.86 0.00 0.00 177.93 178.83 3kd6 h ALA 64 N 1.95 1.12 -0.57 2.45 0.00 -0.76 -1.68 119.26 121.76 3kd6 h ALA 64 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kd6 h ALA 64 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kd6 h ALA 64 CO 0.01 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.99 3kd6 n LYS 65 N -3.36 4.45 -1.65 0.00 4.76 -0.30 -4.93 118.16 117.14 3kd6 n LYS 65 Ca -0.01 -3.07 -0.16 0.00 -2.87 0.00 0.00 58.31 52.20 3kd6 n LYS 65 Cb 0.25 -2.14 -0.05 0.00 -1.84 0.00 0.00 35.03 31.25 3kd6 n LYS 65 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kd6 n ASN 66 N 0.66 -4.89 -4.72 4.39 4.13 -0.63 -4.88 115.26 109.33 3kd6 n ASN 66 Ca 0.27 0.30 -0.42 0.00 1.68 0.00 0.00 54.58 56.41 3kd6 n ASN 66 Cb 1.09 -3.84 -0.03 0.00 -1.54 0.00 0.00 39.78 35.46 3kd6 n ASN 66 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kd6 s ILE 67 N -2.64 4.70 -0.29 2.41 1.01 -1.03 -3.80 121.20 121.55 3kd6 s ILE 67 Ca 0.00 2.03 -0.25 0.00 0.00 0.00 0.00 60.65 62.43 3kd6 s ILE 67 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3kd6 s ILE 67 CO 0.00 0.21 0.86 -0.62 0.00 0.00 0.00 174.94 175.39 3kd6 s ASP 68 N 0.69 6.77 -0.10 3.58 -1.08 0.60 -4.37 116.67 122.76 3kd6 s ASP 68 Ca 0.51 0.85 0.15 0.00 -0.52 0.00 0.00 52.55 53.54 3kd6 s ASP 68 Cb -0.22 -2.44 0.50 0.00 -1.46 0.00 0.00 42.92 39.29 3kd6 s ASP 68 CO 0.29 -0.64 1.41 0.35 0.52 0.00 0.00 175.17 177.10 3kd6 n THR 69 N 5.52 1.73 0.30 1.71 -2.24 -1.26 -4.47 114.28 115.56 3kd6 n THR 69 Ca 0.06 -1.40 0.17 0.00 -2.27 0.00 0.00 64.05 60.61 3kd6 n THR 69 Cb 0.48 0.11 0.97 0.00 -2.10 0.00 0.00 70.33 69.79 3kd6 n THR 69 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3kd6 h ARG 70 N 2.43 0.00 -0.00 -0.78 3.08 -1.96 -0.68 114.38 116.47 3kd6 h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kd6 h ARG 70 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3kd6 h ARG 70 CO 0.15 0.00 -0.02 0.41 -1.07 0.00 0.00 179.97 179.43 3kd6 n GLY 71 N -1.28 -0.81 3.68 0.04 0.00 -1.26 -4.79 105.19 100.78 3kd6 n GLY 71 Ca -0.02 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3kd6 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd6 s ILE 72 N -2.16 5.14 0.16 -0.61 1.01 -0.26 -2.28 121.20 122.19 3kd6 s ILE 72 Ca 0.40 0.95 -0.08 0.00 0.00 0.00 0.00 60.65 61.92 3kd6 s ILE 72 Cb 0.21 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3kd6 s ILE 72 CO 0.39 0.23 0.45 -1.10 0.00 0.00 0.00 174.94 174.91 3kd6 s GLN 73 N 1.28 3.73 -0.22 2.79 -0.21 0.11 -4.92 119.66 122.22 3kd6 s GLN 73 Ca 0.25 0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.76 3kd6 s GLN 73 Cb -0.15 -2.81 0.04 0.00 1.00 0.00 0.00 33.01 31.08 3kd6 s GLN 73 CO 0.10 0.44 -0.15 0.08 -2.12 0.00 0.00 175.29 173.64 3kd6 s VAL 74 N -1.65 2.06 -0.43 1.09 1.01 -1.26 -0.71 120.40 120.50 3kd6 s VAL 74 Ca 0.41 -1.26 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 3kd6 s VAL 74 Cb -0.12 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3kd6 s VAL 74 CO 0.22 0.24 0.82 -0.63 0.00 0.00 0.00 175.10 175.75 3kd6 s ILE 75 N 1.22 4.63 0.42 2.22 -1.09 -0.22 -4.94 121.20 123.44 3kd6 s ILE 75 Ca -0.02 0.63 0.09 0.00 -2.23 0.00 0.00 60.65 59.12 3kd6 s ILE 75 Cb -0.16 -4.32 0.29 0.00 -1.58 0.00 0.00 42.46 36.68 3kd6 s ILE 75 CO -0.09 -0.67 2.04 -0.33 -1.23 0.00 0.00 174.94 174.65 3kd6 h GLU 76 N 8.87 0.49 -0.33 2.79 4.39 -1.92 -1.89 114.58 126.97 3kd6 h GLU 76 Ca -0.25 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 3kd6 h GLU 76 Cb 1.08 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 3kd6 h GLU 76 CO 0.96 0.32 0.01 -0.40 -1.16 0.00 0.00 179.01 178.75 3kd6 n ASP 77 N -4.48 3.57 -4.72 1.42 3.85 -1.26 -4.43 116.55 110.50 3kd6 n ASP 77 Ca 0.05 -3.25 -0.25 0.00 -0.71 0.00 0.00 54.79 50.64 3kd6 n ASP 77 Cb 0.16 -0.59 -0.07 0.00 -1.35 0.00 0.00 41.12 39.26 3kd6 n ASP 77 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3kd6 s GLY 78 N -2.03 2.27 0.03 6.12 0.00 -0.88 -4.99 107.32 107.85 3kd6 s GLY 78 Ca 0.44 -2.07 0.05 0.00 0.00 0.00 0.00 44.72 43.14 3kd6 s GLY 78 CO 0.07 -1.90 -0.11 0.54 0.00 0.00 0.00 173.10 171.70 3kd6 s LYS 79 N -3.87 2.33 0.50 2.90 1.02 -1.26 -1.49 119.74 119.87 3kd6 s LYS 79 Ca 0.40 -0.86 -0.21 0.00 0.02 0.00 0.00 55.97 55.32 3kd6 s LYS 79 Cb 0.03 -2.37 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 3kd6 s LYS 79 CO 0.22 0.56 1.16 0.99 -0.92 0.00 0.00 175.35 177.36 3kd6 s THR 80 N -1.02 3.07 0.28 2.17 2.01 -1.26 -2.44 115.64 118.45 3kd6 s THR 80 Ca 0.17 0.74 -0.28 0.00 0.31 0.00 0.00 61.69 62.63 3kd6 s THR 80 Cb -0.11 -3.34 -0.14 0.00 0.01 0.00 0.00 72.50 68.92 3kd6 s THR 80 CO 0.08 -0.07 0.97 0.33 -0.69 0.00 0.00 174.62 175.24 3kd6 n PHE 81 N -0.90 1.13 -4.25 4.92 7.35 -1.25 -4.80 117.46 119.65 3kd6 n PHE 81 Ca 0.10 0.73 -0.19 0.00 -0.76 0.00 0.00 57.45 57.33 3kd6 n PHE 81 Cb 0.49 -2.23 -0.13 0.00 0.35 0.00 0.00 39.48 37.97 3kd6 n PHE 81 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3kd6 s ARG 82 N -1.51 0.84 -0.00 -4.13 0.52 -0.46 -2.12 118.95 112.09 3kd6 s ARG 82 Ca 0.59 -0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3kd6 s ARG 82 Cb -0.72 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 33.93 3kd6 s ARG 82 CO 0.60 0.19 0.14 -0.46 0.02 0.00 0.00 175.30 175.79 3kd6 s TRP 83 N -1.02 0.02 -0.06 -0.53 -0.00 -0.93 -0.92 118.94 115.50 3kd6 s TRP 83 Ca -0.01 -0.08 0.01 0.00 -0.00 0.00 0.00 56.10 56.03 3kd6 s TRP 83 Cb -0.09 -0.04 0.02 0.00 -0.00 0.00 0.00 33.47 33.36 3kd6 s TRP 83 CO 0.01 -0.26 -0.09 0.00 -0.00 0.00 0.00 176.95 176.62 3kd6 s ALA 84 N -1.21 1.03 0.05 5.86 0.00 -0.59 -0.53 121.76 126.37 3kd6 s ALA 84 Ca -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3kd6 s ALA 84 Cb -0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3kd6 s ALA 84 CO 0.01 0.01 -0.07 0.20 0.00 0.00 0.00 175.76 175.91 3kd6 s GLY 85 N 0.88 0.52 -0.10 0.00 0.00 -0.48 -0.40 107.32 107.75 3kd6 s GLY 85 Ca -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3kd6 s GLY 85 CO 0.01 -0.89 -0.08 -1.60 0.00 0.00 0.00 173.10 170.54 3kd6 s ARG 86 N -1.87 1.46 0.37 2.90 3.52 -0.35 -1.32 118.95 123.65 3kd6 s ARG 86 Ca -0.08 -0.25 0.06 0.00 -0.13 0.00 0.00 55.73 55.33 3kd6 s ARG 86 Cb -0.08 -1.46 -0.00 0.00 -1.56 0.00 0.00 34.95 31.85 3kd6 s ARG 86 CO -0.00 -0.19 0.52 0.71 -0.81 0.00 0.00 175.30 175.52 3kd6 s TYR 87 N 1.44 3.07 0.00 5.12 2.02 0.27 -1.05 117.35 128.21 3kd6 s TYR 87 Ca -0.00 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3kd6 s TYR 87 Cb -0.13 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 3kd6 s TYR 87 CO -0.05 -0.14 0.00 0.72 -1.57 0.00 0.00 175.55 174.51 3kd6 n HIS 88 N -1.74 0.00 0.29 2.71 8.25 -1.26 -4.17 115.22 119.30 3kd6 n HIS 88 Ca 0.02 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.65 3kd6 n HIS 88 Cb 0.58 0.00 0.85 0.00 1.12 0.00 0.00 29.99 32.54 3kd6 n HIS 88 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3kd6 h TYR 89 N 0.72 0.00 0.00 4.41 0.05 -2.00 -3.42 116.97 116.72 3kd6 h TYR 89 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kd6 h TYR 89 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kd6 h TYR 89 CO 0.00 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.71 3kd6 n ASP 90 N -2.74 0.00 0.00 3.88 5.75 -1.26 -5.14 116.55 117.03 3kd6 n ASP 90 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 3kd6 n ASP 90 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3kd6 n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kd6 n ASN 92 N -0.21 0.00 -4.74 -1.12 5.15 -1.26 -5.14 115.26 107.94 3kd6 n ASN 92 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 3kd6 n ASN 92 Cb 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.37 3kd6 n ASN 92 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kd6 s THR 93 N 0.00 2.87 0.18 -0.44 -4.23 -1.26 -4.99 115.64 107.76 3kd6 s THR 93 Ca 0.00 0.28 -0.22 0.00 -1.18 0.00 0.00 61.69 60.57 3kd6 s THR 93 Cb 0.00 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 71.12 3kd6 s THR 93 CO 0.00 -0.37 0.60 0.00 -0.54 0.00 0.00 174.62 174.31 3kd6 s ARG 94 N -4.93 1.35 -0.12 3.99 1.70 -1.26 -3.99 118.95 115.69 3kd6 s ARG 94 Ca 0.63 -0.58 -0.03 0.00 -0.47 0.00 0.00 55.73 55.28 3kd6 s ARG 94 Cb -0.18 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3kd6 s ARG 94 CO 0.57 -0.59 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.67 3kd6 s ASP 95 N -2.78 5.08 -0.31 -2.89 1.01 -0.22 -4.92 116.67 111.64 3kd6 s ASP 95 Ca 0.03 0.04 -0.22 0.00 0.71 0.00 0.00 52.55 53.11 3kd6 s ASP 95 Cb -0.02 -1.59 -0.00 0.00 1.01 0.00 0.00 42.92 42.33 3kd6 s ASP 95 CO -0.10 0.29 0.70 -0.89 0.21 0.00 0.00 175.17 175.38 3kd6 s THR 96 N -0.37 4.87 -0.09 -1.27 2.01 -1.26 -1.21 115.64 118.32 3kd6 s THR 96 Ca 0.07 0.96 0.15 0.00 0.31 0.00 0.00 61.69 63.17 3kd6 s THR 96 Cb -0.12 -4.07 -0.12 0.00 0.01 0.00 0.00 72.50 68.20 3kd6 s THR 96 CO 0.02 -0.21 0.95 -0.07 -0.69 0.00 0.00 174.62 174.63 3kd6 h LEU 97 N 9.31 0.00 -7.00 4.42 3.38 -1.08 -3.48 115.31 120.85 3kd6 h LEU 97 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3kd6 h LEU 97 Cb 1.11 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 3kd6 h LEU 97 CO 0.84 0.67 0.33 -0.62 0.09 0.00 0.00 178.44 179.75 3kd6 s ASP 98 N -6.04 -0.55 -0.05 -0.43 2.15 -1.17 -4.95 116.67 105.64 3kd6 s ASP 98 Ca -0.02 0.70 -0.02 0.00 0.43 0.00 0.00 52.55 53.65 3kd6 s ASP 98 Cb 0.08 0.59 0.03 0.00 -0.30 0.00 0.00 42.92 43.33 3kd6 s ASP 98 CO 0.80 -0.43 0.08 -0.89 -0.17 0.00 0.00 175.17 174.56 3kd6 s THR 99 N -0.85 -0.13 -0.36 1.71 2.01 -1.26 -1.54 115.64 115.21 3kd6 s THR 99 Ca -0.05 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.35 3kd6 s THR 99 Cb -0.01 -0.18 0.11 0.00 0.01 0.00 0.00 72.50 72.43 3kd6 s THR 99 CO 0.04 0.16 0.11 -1.10 -0.69 0.00 0.00 174.62 173.14 3kd6 s GLN 100 N 2.01 1.28 0.38 4.92 -0.21 -0.09 -4.98 119.66 122.97 3kd6 s GLN 100 Ca 0.02 -1.73 0.07 0.00 0.02 0.00 0.00 55.36 53.74 3kd6 s GLN 100 Cb -0.12 -2.75 0.81 0.00 1.00 0.00 0.00 33.01 31.95 3kd6 s GLN 100 CO -0.04 -1.00 1.99 -0.07 -2.12 0.00 0.00 175.29 174.05 3kd6 h LEU 101 N 7.52 0.58 0.00 2.90 3.38 -1.95 -1.20 115.31 126.54 3kd6 h LEU 101 Ca -0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kd6 h LEU 101 Cb 0.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3kd6 h LEU 101 CO 0.52 0.38 0.00 0.59 0.09 0.00 0.00 178.44 180.02 3kd6 n ASN 102 N -4.47 0.00 0.24 -0.43 3.02 -1.26 -0.96 115.26 111.40 3kd6 n ASN 102 Ca 0.09 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.82 3kd6 n ASN 102 Cb 0.20 0.00 0.86 0.00 -0.61 0.00 0.00 39.78 40.24 3kd6 n ASN 102 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3kd6 h VAL 103 N 0.00 0.24 0.00 2.41 -1.51 -1.79 0.88 116.25 116.48 3kd6 h VAL 103 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kd6 h VAL 103 Cb 0.00 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 3kd6 h VAL 103 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3kd6 n PHE 104 N -3.40 0.00 0.19 5.19 3.72 -0.13 -3.48 117.46 119.54 3kd6 n PHE 104 Ca 0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 3kd6 n PHE 104 Cb 0.36 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.51 3kd6 n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kd6 h ALA 105 N 3.11 -0.95 -0.96 4.37 0.00 -0.93 -3.26 119.26 120.64 3kd6 h ALA 105 Ca 0.00 -0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.14 3kd6 h ALA 105 Cb 0.30 0.19 -0.28 0.00 0.00 0.00 0.00 17.79 18.01 3kd6 h ALA 105 CO 0.00 -0.92 0.85 0.39 0.00 0.00 0.00 179.25 179.58 3kd6 n GLU 106 N -3.57 2.63 -2.79 0.00 4.71 -1.25 -4.97 120.64 115.40 3kd6 n GLU 106 Ca -0.06 -3.17 -0.42 0.00 -0.01 0.00 0.00 57.16 53.49 3kd6 n GLU 106 Cb 0.20 -2.24 -0.03 0.00 -1.01 0.00 0.00 31.44 28.35 3kd6 n GLU 106 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3kd6 s PHE 107 N -3.69 3.18 -0.48 -0.32 5.36 -1.23 -5.00 117.98 115.80 3kd6 s PHE 107 Ca 0.62 1.00 -0.18 0.00 -0.96 0.00 0.00 56.93 57.41 3kd6 s PHE 107 Cb 0.49 -3.46 0.05 0.00 -0.34 0.00 0.00 43.02 39.76 3kd6 s PHE 107 CO -0.03 -0.67 0.54 0.34 -1.46 0.00 0.00 175.22 173.94 3kd6 s ASP 108 N 1.63 6.21 0.08 6.13 -1.08 -1.26 -5.01 116.67 123.37 3kd6 s ASP 108 Ca 0.39 -0.89 -0.31 0.00 -0.52 0.00 0.00 52.55 51.22 3kd6 s ASP 108 Cb -0.13 -2.26 -0.08 0.00 -1.46 0.00 0.00 42.92 38.99 3kd6 s ASP 108 CO 0.14 -0.77 1.51 -2.84 0.52 0.00 0.00 175.17 173.74 3kd6 s PRO 109 N 2.35 4.25 -0.15 4.34 0.02 -1.26 -4.99 135.00 139.57 3kd6 s PRO 109 Ca 0.13 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.34 3kd6 s PRO 109 Cb -0.19 -3.44 0.02 0.00 0.02 0.00 0.00 34.50 30.91 3kd6 s PRO 109 CO 0.12 -0.60 -0.16 -1.58 -0.33 0.00 0.00 177.00 174.44 3kd6 s HIS 110 N 1.98 2.32 -0.34 6.54 2.46 -1.26 -4.88 115.29 122.10 3kd6 s HIS 110 Ca 0.69 -1.27 -0.16 0.00 0.47 0.00 0.00 55.06 54.78 3kd6 s HIS 110 Cb -0.38 -1.66 -0.01 0.00 -0.13 0.00 0.00 32.58 30.41 3kd6 s HIS 110 CO 0.30 -0.66 0.43 0.08 -2.47 0.00 0.00 174.74 172.42 3kd6 s VAL 111 N 1.29 5.10 0.77 0.89 1.01 -1.26 -4.95 120.40 123.26 3kd6 s VAL 111 Ca 0.02 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 3kd6 s VAL 111 Cb -0.13 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.41 3kd6 s VAL 111 CO -0.09 -0.15 1.08 -0.81 0.00 0.00 0.00 175.10 175.14 3kd6 n PRO 112 N 5.54 0.33 -0.29 2.72 -0.04 -1.26 -4.80 135.00 137.20 3kd6 n PRO 112 Ca -0.07 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 3kd6 n PRO 112 Cb 0.49 -2.33 0.10 0.00 -0.04 0.00 0.00 33.50 31.72 3kd6 n PRO 112 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3kd6 h GLN 113 N -0.61 -0.00 0.00 0.54 5.75 -1.99 -0.35 115.11 118.44 3kd6 h GLN 113 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3kd6 h GLN 113 Cb 1.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.86 3kd6 h GLN 113 CO 0.46 -0.00 0.00 2.48 -2.65 0.00 0.00 178.83 179.12 3kd6 n TYR 114 N -5.54 0.00 0.09 3.99 0.18 -1.26 -1.80 117.16 112.82 3kd6 n TYR 114 Ca 0.12 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.93 3kd6 n TYR 114 Cb 0.42 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.34 3kd6 n TYR 114 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3kd6 n TYR 115 N -0.67 0.00 -0.31 -3.48 4.02 -0.15 -4.71 117.16 111.86 3kd6 n TYR 115 Ca 0.03 0.00 0.25 0.00 -0.01 0.00 0.00 57.90 58.17 3kd6 n TYR 115 Cb 0.02 -0.08 0.55 0.00 -0.02 0.00 0.00 39.34 39.81 3kd6 n TYR 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kd6 h ARG 116 N 0.00 0.31 -0.71 -0.72 -0.00 -1.28 -1.29 114.38 110.69 3kd6 h ARG 116 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 3kd6 h ARG 116 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.11 3kd6 h ARG 116 CO 0.00 0.20 0.00 -0.40 0.00 0.00 0.00 179.97 179.77 3kd6 n ASP 117 N -4.54 2.35 -4.74 7.04 5.75 -1.26 -1.68 116.55 119.47 3kd6 n ASP 117 Ca 0.25 -2.25 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 3kd6 n ASP 117 Cb 0.93 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.53 3kd6 n ASP 117 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3kd6 s SER 118 N -0.45 6.43 -0.11 -1.12 0.01 -0.49 -4.91 113.70 113.07 3kd6 s SER 118 Ca 0.19 2.85 -0.05 0.00 1.31 0.00 0.00 55.95 60.25 3kd6 s SER 118 Cb 0.13 -2.62 -0.26 0.00 0.21 0.00 0.00 66.02 63.48 3kd6 s SER 118 CO 0.07 -0.89 0.39 0.29 0.41 0.00 0.00 173.24 173.51 3kd6 n LYS 119 N 2.91 0.75 -3.95 12.44 4.76 -0.94 -4.20 118.16 129.94 3kd6 n LYS 119 Ca 0.11 0.26 -0.35 0.00 -2.87 0.00 0.00 58.31 55.46 3kd6 n LYS 119 Cb 0.37 -1.72 -0.13 0.00 -1.84 0.00 0.00 35.03 31.71 3kd6 n LYS 119 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kd6 s PHE 120 N -2.56 2.99 -0.13 2.13 0.08 0.73 0.14 117.98 121.37 3kd6 s PHE 120 Ca -0.21 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.14 3kd6 s PHE 120 Cb 0.07 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3kd6 s PHE 120 CO 0.77 -0.43 -0.19 0.08 -0.10 0.00 0.00 175.22 175.35 3kd6 s VAL 121 N 1.36 2.40 -0.35 -0.44 1.01 -0.49 -0.41 120.40 123.48 3kd6 s VAL 121 Ca 0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3kd6 s VAL 121 Cb -0.14 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.35 3kd6 s VAL 121 CO -0.01 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.72 3kd6 s LEU 123 N 1.14 4.12 0.86 0.00 1.43 0.16 -2.24 118.68 124.14 3kd6 s LEU 123 Ca 0.03 -2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 50.64 3kd6 s LEU 123 Cb -0.21 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 43.59 3kd6 s LEU 123 CO -0.04 -1.13 1.10 -0.83 0.23 0.00 0.00 176.35 175.69 3kd6 s GLY 124 N 4.01 1.66 -0.33 -3.19 0.00 -0.46 -2.18 107.32 106.84 3kd6 s GLY 124 Ca 0.49 0.24 -0.40 0.00 0.00 0.00 0.00 44.72 45.06 3kd6 s GLY 124 CO 0.02 0.66 1.88 -2.01 0.00 0.00 0.00 173.10 173.66 3kd6 n ASN 125 N -3.85 2.14 -3.64 1.64 5.15 -1.18 -4.34 115.26 111.18 3kd6 n ASN 125 Ca 0.09 0.89 0.02 0.00 -0.60 0.00 0.00 54.58 54.97 3kd6 n ASN 125 Cb 0.53 -1.14 -0.00 0.00 -0.53 0.00 0.00 39.78 38.64 3kd6 n ASN 125 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3kd6 s ILE 126 N 4.64 0.00 -0.26 -1.44 1.10 -1.26 -3.13 121.20 120.85 3kd6 s ILE 126 Ca 1.03 -0.23 -0.40 0.00 -0.51 0.00 0.00 60.65 60.55 3kd6 s ILE 126 Cb -1.08 -2.12 -0.15 0.00 0.15 0.00 0.00 42.46 39.26 3kd6 s ILE 126 CO 0.63 0.00 1.75 -0.67 -2.11 0.00 0.00 174.94 174.53 3kd6 n ASP 127 N -0.57 2.43 -0.25 4.50 -0.08 -1.26 -4.78 116.55 116.54 3kd6 n ASP 127 Ca -0.07 1.07 0.24 0.00 -1.51 0.00 0.00 54.79 54.52 3kd6 n ASP 127 Cb 0.62 -1.15 0.59 0.00 2.34 0.00 0.00 41.12 43.52 3kd6 n ASP 127 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kd6 h PRO 128 N 7.26 0.25 -0.76 -0.67 0.13 -1.92 0.37 132.00 136.67 3kd6 h PRO 128 Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kd6 h PRO 128 Cb 1.32 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 3kd6 h PRO 128 CO 0.96 0.17 0.47 0.93 -0.23 0.00 0.00 178.00 180.30 3kd6 h GLU 129 N 0.26 1.02 -0.25 0.86 5.08 -1.87 -0.95 114.58 118.73 3kd6 h GLU 129 Ca 0.50 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.60 3kd6 h GLU 129 Cb 1.49 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3kd6 h GLU 129 CO -0.15 0.70 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.95 3kd6 h LEU 130 N 1.04 0.91 -0.77 1.33 4.07 -0.64 -2.45 115.31 118.81 3kd6 h LEU 130 Ca 0.28 -0.55 0.03 0.00 0.08 0.00 0.00 57.88 57.71 3kd6 h LEU 130 Cb -0.07 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.36 3kd6 h LEU 130 CO -0.05 1.29 0.49 1.56 -1.08 0.00 0.00 178.44 180.65 3kd6 h GLN 131 N 0.57 0.94 -0.17 1.13 4.20 -0.72 -1.98 115.11 119.07 3kd6 h GLN 131 Ca 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3kd6 h GLN 131 Cb 1.15 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3kd6 h GLN 131 CO 0.12 0.62 -0.01 1.25 -0.67 0.00 0.00 178.83 180.14 3kd6 h LEU 132 N 0.97 0.30 -1.48 1.46 5.85 -1.18 -2.20 115.31 119.03 3kd6 h LEU 132 Ca 0.30 -0.32 0.14 0.00 0.84 0.00 0.00 57.88 58.84 3kd6 h LEU 132 Cb -0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3kd6 h LEU 132 CO -0.10 0.54 0.52 0.11 -0.34 0.00 0.00 178.44 179.17 3kd6 h LYS 133 N 0.04 0.51 0.02 1.25 1.57 -1.04 -0.29 116.57 118.64 3kd6 h LYS 133 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kd6 h LYS 133 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3kd6 h LYS 133 CO 0.01 0.34 -0.01 0.28 -0.57 0.00 0.00 179.45 179.50 3kd6 h VAL 134 N 0.53 1.44 -0.96 0.50 2.07 -1.20 -3.23 116.25 115.39 3kd6 h VAL 134 Ca 0.39 -1.52 0.13 0.00 0.82 0.00 0.00 66.70 66.52 3kd6 h VAL 134 Cb 0.75 2.45 -0.08 0.00 -1.52 0.00 0.00 31.29 32.89 3kd6 h VAL 134 CO -0.14 0.38 0.61 0.25 0.02 0.00 0.00 177.57 178.69 3kd6 h LEU 135 N -0.70 0.83 -2.08 2.57 5.85 -0.76 0.25 115.31 121.27 3kd6 h LEU 135 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kd6 h LEU 135 Cb 0.65 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kd6 h LEU 135 CO 0.00 0.43 0.00 0.44 -0.34 0.00 0.00 178.44 178.98 3kd6 h ASP 136 N 0.89 0.00 -0.02 1.25 3.32 -1.09 -1.67 116.42 119.10 3kd6 h ASP 136 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3kd6 h ASP 136 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3kd6 h ASP 136 CO -0.25 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.20 3kd6 n GLN 137 N -2.65 2.06 -3.37 3.56 6.02 0.86 -4.89 117.38 118.97 3kd6 n GLN 137 Ca -0.02 -1.64 -0.38 0.00 -0.01 0.00 0.00 57.00 54.95 3kd6 n GLN 137 Cb 0.07 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.79 3kd6 n GLN 137 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kd6 s ILE 138 N -2.08 5.19 0.05 5.09 -1.09 -0.63 -4.72 121.20 123.02 3kd6 s ILE 138 Ca 0.28 0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 59.22 3kd6 s ILE 138 Cb 0.20 -3.75 -0.13 0.00 -1.58 0.00 0.00 42.46 37.20 3kd6 s ILE 138 CO 0.35 0.27 1.39 0.44 -1.23 0.00 0.00 174.94 176.15 3kd6 h ASP 139 N 7.20 -0.90 -1.17 3.58 3.32 -1.64 -3.42 116.42 123.39 3kd6 h ASP 139 Ca -0.37 0.06 -0.35 0.00 0.02 0.00 0.00 57.03 56.39 3kd6 h ASP 139 Cb 1.16 0.27 -0.25 0.00 0.22 0.00 0.00 39.33 40.74 3kd6 h ASP 139 CO 0.73 -0.51 -0.72 -0.67 -1.72 0.00 0.00 179.24 176.35 3kd6 n ASP 140 N -4.53 -1.92 -4.77 6.45 2.03 -1.26 -5.13 116.55 107.41 3kd6 n ASP 140 Ca -0.10 -2.88 -0.39 0.00 0.52 0.00 0.00 54.79 51.94 3kd6 n ASP 140 Cb 0.34 0.81 -0.01 0.00 -0.72 0.00 0.00 41.12 41.54 3kd6 n ASP 140 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3kd6 s PRO 141 N 0.21 4.05 0.04 -0.67 0.04 -1.26 -4.82 135.00 132.59 3kd6 s PRO 141 Ca 0.32 1.97 0.12 0.00 0.04 0.00 0.00 61.00 63.46 3kd6 s PRO 141 Cb 0.12 -2.74 -0.19 0.00 0.04 0.00 0.00 34.50 31.73 3kd6 s PRO 141 CO -0.15 -0.36 0.89 -0.22 0.04 0.00 0.00 177.00 177.20 3kd6 h LYS 142 N 2.72 0.00 -2.43 4.56 3.64 -0.58 -3.47 116.57 121.01 3kd6 h LYS 142 Ca -0.49 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 3kd6 h LYS 142 Cb 1.24 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.81 3kd6 h LYS 142 CO 0.63 0.57 -0.18 -1.17 -2.27 0.00 0.00 179.45 177.02 3kd6 s LEU 143 N -6.20 -0.36 -0.19 5.20 2.96 -1.00 -5.04 118.68 114.04 3kd6 s LEU 143 Ca -0.02 1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.99 3kd6 s LEU 143 Cb 0.09 1.71 0.01 0.00 0.50 0.00 0.00 46.19 48.50 3kd6 s LEU 143 CO 0.82 -0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.80 3kd6 s VAL 144 N 1.41 2.43 0.14 1.68 1.01 -1.26 -1.40 120.40 124.42 3kd6 s VAL 144 Ca -0.09 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3kd6 s VAL 144 Cb -0.07 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3kd6 s VAL 144 CO -0.14 0.49 -0.04 -0.69 0.00 0.00 0.00 175.10 174.72 3kd6 s VAL 145 N 1.34 3.59 -0.07 2.92 1.01 0.26 -1.21 120.40 128.24 3kd6 s VAL 145 Ca 0.05 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 3kd6 s VAL 145 Cb -0.14 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.55 3kd6 s VAL 145 CO -0.10 -0.02 0.60 0.00 0.00 0.00 0.00 175.10 175.58 3kd6 s ASP 147 N -1.01 0.57 0.00 0.00 1.47 -0.93 -0.76 116.67 116.02 3kd6 s ASP 147 Ca -0.10 -1.11 0.00 0.00 1.18 0.00 0.00 52.55 52.52 3kd6 s ASP 147 Cb -0.02 0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.78 3kd6 s ASP 147 CO 0.08 -0.64 0.00 1.07 0.68 0.00 0.00 175.17 176.36 3kd6 n THR 148 N -0.04 0.00 -0.01 2.11 5.66 -1.26 -3.10 114.28 117.64 3kd6 n THR 148 Ca -0.09 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.84 3kd6 n THR 148 Cb 0.62 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.52 3kd6 n THR 148 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3kd6 h ASN 150 N 0.00 0.60 -0.65 1.09 7.08 -1.97 -3.44 115.58 118.30 3kd6 h ASN 150 Ca 0.00 -0.25 0.12 0.00 -3.08 0.00 0.00 56.30 53.09 3kd6 h ASN 150 Cb 0.00 -0.17 -0.09 0.00 -2.08 0.00 0.00 38.32 35.98 3kd6 h ASN 150 CO 0.00 0.91 0.16 0.15 -2.08 0.00 0.00 177.43 176.57 3kd6 h PHE 151 N 0.48 0.26 0.08 4.14 3.57 -2.03 0.80 116.94 124.23 3kd6 h PHE 151 Ca 0.05 0.04 -0.29 0.00 3.53 0.00 0.00 57.97 61.30 3kd6 h PHE 151 Cb 0.85 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3kd6 h PHE 151 CO 0.03 -0.03 -1.52 -1.49 -2.23 0.00 0.00 178.31 173.08 3kd6 h TRP 152 N 0.29 0.29 -0.93 0.41 4.06 -1.95 -1.17 115.95 116.95 3kd6 h TRP 152 Ca 0.35 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.08 3kd6 h TRP 152 Cb 0.53 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.63 3kd6 h TRP 152 CO -0.24 1.27 0.56 0.82 -3.56 0.00 0.00 178.44 177.29 3kd6 h ILE 153 N 0.04 1.26 0.14 1.49 2.04 -1.75 0.12 117.51 120.84 3kd6 h ILE 153 Ca -0.23 -0.56 -0.34 0.00 1.00 0.00 0.00 64.86 64.73 3kd6 h ILE 153 Cb 1.98 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3kd6 h ILE 153 CO 0.13 0.27 -1.77 -0.33 0.00 0.00 0.00 178.15 176.45 3kd6 h GLU 154 N 1.28 0.30 0.04 2.37 5.08 -0.98 -3.31 114.58 119.37 3kd6 h GLU 154 Ca 0.33 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3kd6 h GLU 154 Cb -0.05 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kd6 h GLU 154 CO -0.06 1.18 -0.02 0.78 -1.00 0.00 0.00 179.01 179.89 3kd6 h GLY 155 N 1.24 -0.06 -5.54 -3.84 0.00 -1.09 -3.40 103.07 90.37 3kd6 h GLY 155 Ca -0.34 0.02 -0.53 0.00 0.00 0.00 0.00 47.33 46.48 3kd6 h GLY 155 CO 0.14 -0.02 -0.91 0.28 0.00 0.00 0.00 176.54 176.03 3kd6 n LYS 156 N -4.81 2.17 -0.28 4.80 5.02 0.39 -4.94 118.16 120.52 3kd6 n LYS 156 Ca -0.09 -4.13 0.04 0.00 -2.02 0.00 0.00 58.31 52.12 3kd6 n LYS 156 Cb 0.31 -1.96 0.18 0.00 -0.02 0.00 0.00 35.03 33.54 3kd6 n LYS 156 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3kd6 h PRO 157 N 2.97 0.67 -0.45 1.97 0.13 -1.63 0.48 132.00 136.13 3kd6 h PRO 157 Ca 0.11 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 3kd6 h PRO 157 Cb 0.76 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3kd6 h PRO 157 CO 0.67 0.44 0.17 0.93 -0.23 0.00 0.00 178.00 179.98 3kd6 h GLU 158 N 0.69 0.68 -0.47 0.86 4.39 -1.91 0.19 114.58 119.01 3kd6 h GLU 158 Ca 0.41 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.85 3kd6 h GLU 158 Cb 0.48 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3kd6 h GLU 158 CO -0.30 0.63 -0.22 0.93 -1.16 0.00 0.00 179.01 178.89 3kd6 h GLU 159 N 0.59 0.97 -0.40 2.33 3.07 -1.83 -2.75 114.58 116.56 3kd6 h GLU 159 Ca 0.15 -0.42 -0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3kd6 h GLU 159 Cb 0.21 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3kd6 h GLU 159 CO -0.01 1.09 0.25 1.25 -1.40 0.00 0.00 179.01 180.19 3kd6 h LEU 160 N 0.84 0.47 -2.25 1.33 5.85 -0.66 -1.77 115.31 119.12 3kd6 h LEU 160 Ca 0.11 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3kd6 h LEU 160 Cb 0.79 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3kd6 h LEU 160 CO 0.07 0.37 0.05 0.11 -0.34 0.00 0.00 178.44 178.70 3kd6 h LYS 161 N 0.53 0.00 -0.39 1.25 1.57 -0.80 0.93 116.57 119.66 3kd6 h LYS 161 Ca 0.14 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 3kd6 h LYS 161 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3kd6 h LYS 161 CO -0.03 0.00 -0.37 0.87 -0.57 0.00 0.00 179.45 179.35 3kd6 h LYS 162 N 0.00 0.93 -0.24 3.15 1.57 -1.04 -2.63 116.57 118.32 3kd6 h LYS 162 Ca 0.03 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3kd6 h LYS 162 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3kd6 h LYS 162 CO -0.00 1.14 0.03 0.28 -0.57 0.00 0.00 179.45 180.33 3kd6 h VAL 163 N 0.76 1.24 -0.23 0.50 2.07 -0.56 -3.13 116.25 116.91 3kd6 h VAL 163 Ca 0.07 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kd6 h VAL 163 Cb 0.96 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3kd6 h VAL 163 CO 0.09 0.25 0.15 -0.07 0.02 0.00 0.00 177.57 178.02 3kd6 h LEU 164 N 0.20 0.17 0.00 2.57 3.38 -1.08 -0.75 115.31 119.79 3kd6 h LEU 164 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kd6 h LEU 164 Cb 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3kd6 h LEU 164 CO 0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3kd6 n ALA 165 N -2.53 1.67 -0.60 1.53 0.00 -1.00 -3.03 120.51 116.54 3kd6 n ALA 165 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.44 3kd6 n ALA 165 Cb 0.16 -1.23 0.06 0.00 0.00 0.00 0.00 19.45 18.44 3kd6 n ALA 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kd6 n ARG 166 N -1.49 1.95 -4.15 0.00 1.74 -0.30 -4.90 116.66 109.52 3kd6 n ARG 166 Ca 0.04 -1.85 -0.29 0.00 -0.77 0.00 0.00 57.85 54.98 3kd6 n ARG 166 Cb 0.17 -1.14 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3kd6 n ARG 166 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kd6 s VAL 167 N -1.64 3.93 -0.08 1.55 -7.23 -1.16 -4.94 120.40 110.83 3kd6 s VAL 167 Ca 0.13 -1.10 -0.10 0.00 -1.81 0.00 0.00 61.98 59.10 3kd6 s VAL 167 Cb 0.11 -2.90 -0.29 0.00 0.56 0.00 0.00 36.38 33.87 3kd6 s VAL 167 CO 0.01 0.07 0.56 0.44 -0.31 0.00 0.00 175.10 175.86 3kd6 h ASP 168 N 3.27 0.53 -3.32 4.85 3.32 -1.51 -3.37 116.42 120.19 3kd6 h ASP 168 Ca -0.48 -0.93 -0.50 0.00 0.02 0.00 0.00 57.03 55.14 3kd6 h ASP 168 Cb 1.17 -0.17 -0.35 0.00 0.22 0.00 0.00 39.33 40.20 3kd6 h ASP 168 CO 0.59 1.80 -0.80 -0.69 -1.72 0.00 0.00 179.24 178.42 3kd6 s VAL 169 N -2.56 0.96 -0.15 -1.35 1.01 -0.70 -2.11 120.40 115.50 3kd6 s VAL 169 Ca -0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3kd6 s VAL 169 Cb 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3kd6 s VAL 169 CO 0.82 0.33 -0.11 0.12 0.00 0.00 0.00 175.10 176.26 3kd6 s PHE 170 N 1.18 2.85 -0.20 5.22 5.36 -0.46 -1.23 117.98 130.70 3kd6 s PHE 170 Ca -0.05 -0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 55.19 3kd6 s PHE 170 Cb -0.14 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 3kd6 s PHE 170 CO -0.02 -0.28 -0.11 0.42 -1.46 0.00 0.00 175.22 173.77 3kd6 s ILE 171 N 0.59 2.83 0.11 3.12 1.01 0.06 -1.23 121.20 127.69 3kd6 s ILE 171 Ca -0.07 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3kd6 s ILE 171 Cb -0.15 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3kd6 s ILE 171 CO 0.03 0.47 -0.03 0.68 0.00 0.00 0.00 174.94 176.09 3kd6 s VAL 172 N 1.34 0.57 0.67 2.92 -7.23 -0.62 -4.24 120.40 113.81 3kd6 s VAL 172 Ca 0.04 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3kd6 s VAL 172 Cb -0.14 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.11 3kd6 s VAL 172 CO -0.06 -0.77 0.93 0.54 -0.31 0.00 0.00 175.10 175.43 3kd6 s ASN 173 N -3.05 4.64 0.44 4.85 2.20 -1.26 -0.71 114.94 122.04 3kd6 s ASN 173 Ca 0.15 -0.21 0.19 0.00 -0.94 0.00 0.00 52.86 52.05 3kd6 s ASN 173 Cb 0.06 -0.33 1.02 0.00 -2.00 0.00 0.00 41.25 40.00 3kd6 s ASN 173 CO -0.03 -1.64 1.92 -2.24 -2.94 0.00 0.00 177.10 172.17 3kd6 h ASP 174 N -0.37 0.00 -0.09 3.54 2.03 -1.84 -1.33 116.42 118.36 3kd6 h ASP 174 Ca -0.38 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.89 3kd6 h ASP 174 Cb 1.28 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3kd6 h ASP 174 CO 0.45 0.25 -0.05 0.28 -1.03 0.00 0.00 179.24 179.14 3kd6 h SER 175 N 0.00 0.20 -0.80 4.15 0.02 -1.94 -2.21 113.55 112.96 3kd6 h SER 175 Ca -0.00 -0.42 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 3kd6 h SER 175 Cb 0.53 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3kd6 h SER 175 CO 0.03 0.58 0.32 -0.33 -1.14 0.00 0.00 176.83 176.29 3kd6 h GLU 176 N -0.19 1.20 -0.13 3.45 5.08 -1.90 -1.70 114.58 120.40 3kd6 h GLU 176 Ca 0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3kd6 h GLU 176 Cb 0.51 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3kd6 h GLU 176 CO 0.01 0.97 0.08 0.00 -1.00 0.00 0.00 179.01 179.08 3kd6 h ALA 177 N 1.17 0.16 -0.55 3.43 0.00 -1.21 -0.08 119.26 122.19 3kd6 h ALA 177 Ca 0.27 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3kd6 h ALA 177 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kd6 h ALA 177 CO -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.88 3kd6 h ARG 178 N 0.17 0.93 -0.74 0.00 3.08 -1.24 -1.01 114.38 115.57 3kd6 h ARG 178 Ca 0.05 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 3kd6 h ARG 178 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3kd6 h ARG 178 CO -0.01 0.92 0.38 1.25 -1.07 0.00 0.00 179.97 181.44 3kd6 h LEU 179 N 0.86 0.95 -0.65 3.04 5.85 -1.00 0.34 115.31 124.69 3kd6 h LEU 179 Ca 0.16 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 3kd6 h LEU 179 Cb 0.50 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3kd6 h LEU 179 CO 0.02 0.80 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.58 3kd6 h LEU 180 N 1.03 0.78 0.00 2.25 3.38 -0.66 -3.32 115.31 118.78 3kd6 h LEU 180 Ca 0.26 -0.30 -0.26 0.00 0.09 0.00 0.00 57.88 57.67 3kd6 h LEU 180 Cb 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3kd6 h LEU 180 CO -0.04 1.01 -1.57 0.77 0.09 0.00 0.00 178.44 178.70 3kd6 h SER 181 N 0.65 0.00 0.00 -0.43 4.64 -0.87 -3.49 113.55 114.05 3kd6 h SER 181 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3kd6 h SER 181 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3kd6 h SER 181 CO 0.07 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 3kd6 n GLY 182 N 1.50 0.50 2.89 -0.77 0.00 0.12 -5.02 105.19 104.40 3kd6 n GLY 182 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 3kd6 n GLY 182 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kd6 s ASP 183 N -2.02 0.40 0.46 1.61 -1.08 -1.25 -5.05 116.67 109.74 3kd6 s ASP 183 Ca 0.00 -0.05 0.30 0.00 -0.52 0.00 0.00 52.55 52.28 3kd6 s ASP 183 Cb 0.00 -0.11 1.22 0.00 -1.46 0.00 0.00 42.92 42.57 3kd6 s ASP 183 CO 0.00 -0.01 1.89 1.55 0.52 0.00 0.00 175.17 179.12 3kd6 h PRO 184 N 6.49 0.00 -6.30 4.34 0.13 -1.95 -3.43 132.00 131.27 3kd6 h PRO 184 Ca -0.32 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.24 3kd6 h PRO 184 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3kd6 h PRO 184 CO 0.50 0.00 0.95 1.21 -0.23 0.00 0.00 178.00 180.42 3kd6 s ASN 185 N -5.25 6.75 0.42 1.44 3.84 -1.26 -4.91 114.94 115.97 3kd6 s ASN 185 Ca 0.02 1.31 0.14 0.00 0.21 0.00 0.00 52.86 54.54 3kd6 s ASN 185 Cb 0.09 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 39.16 3kd6 s ASN 185 CO 0.50 -1.00 1.93 -0.07 -2.79 0.00 0.00 177.10 175.68 3kd6 h LEU 186 N 10.58 0.00 -0.09 3.21 3.38 -1.98 0.97 115.31 131.38 3kd6 h LEU 186 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3kd6 h LEU 186 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3kd6 h LEU 186 CO 1.02 0.25 -0.08 0.58 0.09 0.00 0.00 178.44 180.30 3kd6 h VAL 187 N 0.00 1.36 -0.75 1.22 2.07 -1.97 -0.47 116.25 117.70 3kd6 h VAL 187 Ca -0.00 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3kd6 h VAL 187 Cb 0.45 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3kd6 h VAL 187 CO 0.03 0.34 0.25 0.50 0.02 0.00 0.00 177.57 178.71 3kd6 h LYS 188 N -0.19 1.16 -0.65 1.57 3.64 -1.92 -2.59 116.57 117.59 3kd6 h LYS 188 Ca 0.02 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3kd6 h LYS 188 Cb 0.59 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 3kd6 h LYS 188 CO 0.02 0.97 0.36 1.15 -2.27 0.00 0.00 179.45 179.69 3kd6 h THR 189 N 1.11 0.98 -0.67 1.00 2.02 -0.69 -2.18 112.91 114.48 3kd6 h THR 189 Ca 0.24 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3kd6 h THR 189 Cb 0.29 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3kd6 h THR 189 CO -0.01 0.12 0.44 0.00 0.37 0.00 0.00 175.52 176.44 3kd6 h ALA 190 N 1.33 0.85 -0.59 6.16 0.00 -0.69 -0.72 119.26 125.60 3kd6 h ALA 190 Ca 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kd6 h ALA 190 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kd6 h ALA 190 CO -0.17 0.27 0.23 -0.09 0.00 0.00 0.00 179.25 179.48 3kd6 h ARG 191 N 0.90 0.89 -0.60 0.00 2.43 -1.22 0.19 114.38 116.97 3kd6 h ARG 191 Ca 0.25 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3kd6 h ARG 191 Cb -0.09 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3kd6 h ARG 191 CO -0.06 0.77 0.22 0.82 -1.51 0.00 0.00 179.97 180.21 3kd6 h ILE 192 N 0.83 1.24 -0.31 1.20 2.04 -0.99 -1.49 117.51 120.02 3kd6 h ILE 192 Ca 0.20 -0.76 -0.15 0.00 1.00 0.00 0.00 64.86 65.15 3kd6 h ILE 192 Cb 0.22 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3kd6 h ILE 192 CO -0.01 0.29 -0.38 0.40 0.00 0.00 0.00 178.15 178.44 3kd6 h ILE 193 N 0.84 1.29 0.00 -0.67 2.04 -1.00 -2.99 117.51 117.01 3kd6 h ILE 193 Ca 0.20 -1.57 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 3kd6 h ILE 193 Cb 0.24 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3kd6 h ILE 193 CO -0.01 0.51 -0.22 0.03 0.00 0.00 0.00 178.15 178.46 3kd6 h ARG 194 N 0.58 0.00 -2.62 2.37 3.08 -0.83 -3.34 114.38 113.62 3kd6 h ARG 194 Ca 0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3kd6 h ARG 194 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3kd6 h ARG 194 CO 0.09 0.22 0.19 0.39 -1.07 0.00 0.00 179.97 179.79 3kd6 n GLU 195 N -3.87 0.64 -0.10 0.04 1.02 -0.57 -3.76 120.64 114.04 3kd6 n GLU 195 Ca -0.02 -0.31 -0.13 0.00 -0.02 0.00 0.00 57.16 56.68 3kd6 n GLU 195 Cb 0.31 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 3kd6 n GLU 195 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kd6 n GLY 197 N 2.76 -0.63 3.66 0.62 0.00 -1.25 -5.11 105.19 105.25 3kd6 n GLY 197 Ca 0.13 -0.23 -0.56 0.00 0.00 0.00 0.00 46.02 45.36 3kd6 n GLY 197 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kd6 n PRO 198 N -4.45 1.21 0.16 1.61 -0.02 -1.20 -4.87 135.00 127.44 3kd6 n PRO 198 Ca -0.22 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.72 3kd6 n PRO 198 Cb 0.55 -2.18 0.20 0.00 -0.02 0.00 0.00 33.50 32.05 3kd6 n PRO 198 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kd6 h LYS 199 N 8.12 0.00 -4.95 -0.52 1.63 -1.75 -3.41 116.57 115.69 3kd6 h LYS 199 Ca -0.43 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.77 3kd6 h LYS 199 Cb 1.32 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.61 3kd6 h LYS 199 CO 0.97 0.50 -0.85 0.99 -3.45 0.00 0.00 179.45 177.62 3kd6 s THR 200 N -3.39 1.62 -0.02 1.00 2.01 -0.90 -4.36 115.64 111.59 3kd6 s THR 200 Ca 0.01 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.30 3kd6 s THR 200 Cb 0.10 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 3kd6 s THR 200 CO 0.72 0.46 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.74 3kd6 s LEU 201 N 0.52 1.99 -0.13 4.42 2.96 -0.70 -1.36 118.68 126.37 3kd6 s LEU 201 Ca -0.16 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 3kd6 s LEU 201 Cb -0.17 -0.84 0.02 0.00 0.50 0.00 0.00 46.19 45.71 3kd6 s LEU 201 CO 0.06 0.18 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.52 3kd6 s ILE 202 N -0.24 1.39 -0.34 6.68 1.01 -0.37 -0.22 121.20 129.10 3kd6 s ILE 202 Ca 0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3kd6 s ILE 202 Cb -0.07 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3kd6 s ILE 202 CO 0.00 0.43 0.13 -0.63 0.00 0.00 0.00 174.94 174.87 3kd6 s ILE 203 N 1.53 4.09 -0.31 2.92 1.01 0.43 -1.59 121.20 129.28 3kd6 s ILE 203 Ca 0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 3kd6 s ILE 203 Cb -0.13 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 3kd6 s ILE 203 CO -0.09 -0.14 0.25 -0.75 0.00 0.00 0.00 174.94 174.20 3kd6 s LYS 204 N 1.47 3.75 -1.35 2.79 2.20 0.11 -0.50 119.74 128.21 3kd6 s LYS 204 Ca 0.00 -0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 3kd6 s LYS 204 Cb -0.19 -3.73 0.11 0.00 -1.51 0.00 0.00 37.83 32.52 3kd6 s LYS 204 CO 0.04 -0.32 2.01 1.63 -0.36 0.00 0.00 175.35 178.35 3kd6 n LYS 205 N 5.14 3.30 0.00 4.03 5.02 -0.20 -2.67 118.16 132.78 3kd6 n LYS 205 Ca -0.12 -3.15 0.00 0.00 -2.02 0.00 0.00 58.31 53.01 3kd6 n LYS 205 Cb 0.51 -3.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.44 3kd6 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kd6 n GLY 206 N 3.37 3.41 1.87 0.72 0.00 -1.26 0.05 105.19 113.35 3kd6 n GLY 206 Ca 0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 3kd6 n GLY 206 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kd6 n GLU 207 N 14.00 3.46 -1.00 1.61 -0.58 -1.26 -4.49 120.64 132.39 3kd6 n GLU 207 Ca 0.00 -3.08 -0.13 0.00 -0.42 0.00 0.00 57.16 53.53 3kd6 n GLU 207 Cb 0.00 -2.16 0.20 0.00 -0.57 0.00 0.00 31.44 28.91 3kd6 n GLU 207 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3kd6 n HIS 208 N -0.31 2.08 0.00 -0.32 8.25 0.11 -4.53 115.22 120.49 3kd6 n HIS 208 Ca 0.40 -1.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.21 3kd6 n HIS 208 Cb 1.35 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.75 3kd6 n HIS 208 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kd6 n GLY 209 N -1.03 2.04 3.13 -1.41 0.00 -1.26 -4.47 105.19 102.20 3kd6 n GLY 209 Ca 0.45 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 3kd6 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd6 s ALA 210 N -2.41 0.88 -0.09 4.61 0.00 -0.62 -1.04 121.76 123.10 3kd6 s ALA 210 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.92 3kd6 s ALA 210 Cb 0.00 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.19 3kd6 s ALA 210 CO 0.00 -0.07 -0.17 -0.51 0.00 0.00 0.00 175.76 175.00 3kd6 s LEU 211 N -2.25 1.83 -0.25 0.00 1.43 0.34 -0.80 118.68 118.98 3kd6 s LEU 211 Ca 0.01 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3kd6 s LEU 211 Cb -0.04 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 3kd6 s LEU 211 CO -0.01 0.07 0.03 -0.22 0.23 0.00 0.00 176.35 176.45 3kd6 s LEU 212 N 0.66 3.36 -0.21 1.79 2.96 0.05 -0.43 118.68 126.85 3kd6 s LEU 212 Ca -0.13 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 3kd6 s LEU 212 Cb -0.16 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3kd6 s LEU 212 CO 0.04 -0.08 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.62 3kd6 s PHE 213 N 1.52 3.02 0.18 5.38 0.08 0.69 -0.90 117.98 127.95 3kd6 s PHE 213 Ca 0.05 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.53 3kd6 s PHE 213 Cb -0.15 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 3kd6 s PHE 213 CO 0.01 -0.36 0.13 0.25 -0.10 0.00 0.00 175.22 175.15 3kd6 n THR 214 N 4.52 0.00 0.31 0.64 -2.24 -0.67 -1.72 114.28 115.12 3kd6 n THR 214 Ca -0.17 -1.26 0.16 0.00 -2.27 0.00 0.00 64.05 60.51 3kd6 n THR 214 Cb 0.51 0.58 0.66 0.00 -2.10 0.00 0.00 70.33 69.99 3kd6 n THR 214 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kd6 h ASP 215 N 1.01 0.00 0.32 3.42 3.32 -1.99 -2.76 116.42 119.73 3kd6 h ASP 215 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kd6 h ASP 215 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3kd6 h ASP 215 CO 0.20 0.00 -0.38 0.59 -1.72 0.00 0.00 179.24 177.93 3kd6 n ASN 216 N -2.85 0.85 0.00 6.45 3.02 -1.26 -5.06 115.26 116.41 3kd6 n ASN 216 Ca 0.01 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3kd6 n ASN 216 Cb 0.27 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3kd6 n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kd6 n GLY 217 N 1.41 0.84 3.44 7.41 0.00 -1.04 -5.07 105.19 112.18 3kd6 n GLY 217 Ca 0.09 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 3kd6 n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd6 s ILE 218 N -2.02 3.30 -0.12 -0.61 1.01 -1.26 -1.67 121.20 119.82 3kd6 s ILE 218 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3kd6 s ILE 218 Cb 0.00 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3kd6 s ILE 218 CO 0.00 0.54 -0.17 0.12 0.00 0.00 0.00 174.94 175.43 3kd6 s PHE 219 N -0.02 2.72 -0.22 3.97 5.36 -0.08 -4.96 117.98 124.75 3kd6 s PHE 219 Ca -0.02 -0.86 -0.06 0.00 -0.96 0.00 0.00 56.93 55.02 3kd6 s PHE 219 Cb -0.14 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 3kd6 s PHE 219 CO 0.04 -0.33 0.04 0.00 -1.46 0.00 0.00 175.22 173.50 3kd6 s ALA 220 N 0.43 3.13 -0.51 11.12 0.00 -1.26 -0.77 121.76 133.90 3kd6 s ALA 220 Ca -0.13 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 3kd6 s ALA 220 Cb -0.17 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.14 3kd6 s ALA 220 CO 0.06 -0.28 0.44 0.00 0.00 0.00 0.00 175.76 175.98 3kd6 s ALA 221 N 1.22 3.56 0.90 0.00 0.00 0.02 -4.98 121.76 122.48 3kd6 s ALA 221 Ca 0.04 -2.47 -0.12 0.00 0.00 0.00 0.00 51.96 49.41 3kd6 s ALA 221 Cb -0.15 -3.11 0.07 0.00 0.00 0.00 0.00 23.12 19.93 3kd6 s ALA 221 CO 0.02 -1.94 0.74 -2.30 0.00 0.00 0.00 175.76 172.29 3kd6 n PRO 222 N 5.15 -0.21 -2.45 0.00 -0.02 -1.26 -1.58 135.00 134.62 3kd6 n PRO 222 Ca -0.12 -0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.07 3kd6 n PRO 222 Cb 0.41 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3kd6 n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kd6 s ALA 223 N -2.38 3.32 -0.68 3.55 0.00 -1.26 -4.65 121.76 119.65 3kd6 s ALA 223 Ca 0.63 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 3kd6 s ALA 223 Cb -0.24 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.23 3kd6 s ALA 223 CO 0.61 -0.41 0.96 0.12 0.00 0.00 0.00 175.76 177.04 3kd6 s PHE 224 N -2.82 2.75 0.45 0.00 5.36 -1.26 -4.94 117.98 117.52 3kd6 s PHE 224 Ca 0.50 -0.68 0.31 0.00 -0.96 0.00 0.00 56.93 56.09 3kd6 s PHE 224 Cb -0.10 -4.27 1.41 0.00 -0.34 0.00 0.00 43.02 39.72 3kd6 s PHE 224 CO 0.46 -1.60 1.66 -1.00 -1.46 0.00 0.00 175.22 173.28 3kd6 h PRO 225 N 9.46 0.12 -0.35 10.12 0.13 -1.95 -2.92 132.00 146.61 3kd6 h PRO 225 Ca -0.24 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.64 3kd6 h PRO 225 Cb 1.07 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.00 3kd6 h PRO 225 CO 1.17 0.08 -0.44 1.47 -0.23 0.00 0.00 178.00 180.05 3kd6 n LEU 226 N -4.55 3.93 -4.77 1.56 -0.00 -1.26 -5.05 117.00 106.85 3kd6 n LEU 226 Ca 0.35 -4.15 -0.38 0.00 -0.00 0.00 0.00 56.01 51.83 3kd6 n LEU 226 Cb 1.37 -0.52 -0.04 0.00 -0.00 0.00 0.00 43.42 44.24 3kd6 n LEU 226 CO 0.26 1.59 0.76 -1.83 -0.00 0.00 0.00 177.39 178.17 3kd6 s GLU 227 N -3.38 4.31 -0.62 1.47 -1.05 -1.10 -4.97 118.70 113.36 3kd6 s GLU 227 Ca 0.45 1.62 -0.24 0.00 -0.15 0.00 0.00 54.97 56.65 3kd6 s GLU 227 Cb 0.40 -2.75 0.05 0.00 -0.44 0.00 0.00 34.13 31.39 3kd6 s GLU 227 CO -0.02 -0.04 0.99 0.45 0.95 0.00 0.00 175.26 177.59 3kd6 s SER 228 N -1.33 6.25 -0.27 0.83 0.15 -1.26 -5.02 113.70 113.06 3kd6 s SER 228 Ca 0.54 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 56.41 3kd6 s SER 228 Cb -0.26 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 3kd6 s SER 228 CO 0.32 -1.39 0.42 -0.63 1.20 0.00 0.00 173.24 173.17 3kd6 s ILE 229 N 4.21 5.14 0.00 6.45 1.01 -1.26 -3.80 121.20 132.95 3kd6 s ILE 229 Ca 0.28 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3kd6 s ILE 229 Cb -0.14 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3kd6 s ILE 229 CO 0.15 0.12 0.00 0.00 0.00 0.00 0.00 174.94 175.21 3kd6 n TYR 230 N 5.41 0.00 -3.22 3.97 9.36 0.94 -5.00 117.16 128.62 3kd6 n TYR 230 Ca -0.07 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.14 3kd6 n TYR 230 Cb 0.50 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.18 3kd6 n TYR 230 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kd6 s ASP 231 N -2.84 -0.78 0.08 2.98 2.15 -0.21 -4.87 116.67 113.18 3kd6 s ASP 231 Ca 0.00 0.45 0.18 0.00 0.43 0.00 0.00 52.55 53.61 3kd6 s ASP 231 Cb 0.00 1.74 0.77 0.00 -0.30 0.00 0.00 42.92 45.13 3kd6 s ASP 231 CO 0.00 -0.29 1.58 -2.65 -0.17 0.00 0.00 175.17 173.64 3kd6 n PRO 232 N 5.40 0.06 -1.66 4.34 -0.02 -1.26 -4.01 135.00 137.85 3kd6 n PRO 232 Ca -0.01 0.28 -0.48 0.00 -2.02 0.00 0.00 63.50 61.28 3kd6 n PRO 232 Cb 0.51 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 3kd6 n PRO 232 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3kd6 n THR 233 N -1.74 0.18 0.00 3.45 -1.04 -1.26 -1.64 114.28 112.23 3kd6 n THR 233 Ca 0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kd6 n THR 233 Cb 0.21 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3kd6 n THR 233 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kd6 n GLY 234 N 3.61 2.30 0.40 3.41 0.00 -1.26 -4.79 105.19 108.87 3kd6 n GLY 234 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3kd6 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd6 h ALA 235 N 0.00 -0.51 -0.58 4.61 0.00 -1.64 0.29 119.26 121.43 3kd6 h ALA 235 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kd6 h ALA 235 Cb 0.00 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3kd6 h ALA 235 CO 0.00 -0.90 0.35 0.78 0.00 0.00 0.00 179.25 179.48 3kd6 h GLY 236 N -0.38 0.83 1.67 0.00 0.00 -1.93 0.18 103.07 103.45 3kd6 h GLY 236 Ca 0.11 -0.33 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 3kd6 h GLY 236 CO -0.53 0.32 -0.89 -0.55 0.00 0.00 0.00 176.54 174.89 3kd6 h ASP 237 N 0.79 0.38 0.64 0.19 3.32 -1.72 -1.03 116.42 118.99 3kd6 h ASP 237 Ca 0.21 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3kd6 h ASP 237 Cb -0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3kd6 h ASP 237 CO -0.04 1.10 -0.37 0.71 -1.72 0.00 0.00 179.24 178.91 3kd6 h THR 238 N 0.17 1.00 0.03 0.35 1.35 0.12 -0.26 112.91 115.67 3kd6 h THR 238 Ca -0.06 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3kd6 h THR 238 Cb 1.52 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 3kd6 h THR 238 CO 0.14 0.37 -0.01 0.15 -0.25 0.00 0.00 175.52 175.92 3kd6 h PHE 239 N 0.00 -0.04 -0.90 4.73 3.57 -0.67 -0.60 116.94 123.04 3kd6 h PHE 239 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3kd6 h PHE 239 Cb 0.79 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 3kd6 h PHE 239 CO 0.00 0.22 0.59 0.00 -2.23 0.00 0.00 178.31 176.88 3kd6 h ALA 240 N 0.67 1.50 -0.20 2.41 0.00 -0.78 -0.57 119.26 122.29 3kd6 h ALA 240 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kd6 h ALA 240 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kd6 h ALA 240 CO 0.01 0.37 0.06 0.78 0.00 0.00 0.00 179.25 180.47 3kd6 h GLY 241 N 1.04 0.33 1.07 0.00 0.00 -0.69 -0.84 103.07 103.98 3kd6 h GLY 241 Ca 0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 3kd6 h GLY 241 CO -0.14 0.18 0.30 -1.33 0.00 0.00 0.00 176.54 175.55 3kd6 h GLY 242 N 0.15 1.26 0.80 4.60 0.00 -0.66 0.38 103.07 109.60 3kd6 h GLY 242 Ca 0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3kd6 h GLY 242 CO -0.00 0.66 -0.45 -2.75 0.00 0.00 0.00 176.54 174.00 3kd6 h PHE 243 N 1.14 -1.18 0.00 5.60 3.57 -0.89 -1.97 116.94 123.21 3kd6 h PHE 243 Ca 0.26 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3kd6 h PHE 243 Cb 0.23 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3kd6 h PHE 243 CO 0.02 -0.69 -0.17 0.97 -2.23 0.00 0.00 178.31 176.22 3kd6 h ILE 244 N -1.15 0.40 -0.21 1.41 2.10 -1.15 -3.02 117.51 115.89 3kd6 h ILE 244 Ca -0.11 -1.01 -0.06 0.00 1.08 0.00 0.00 64.86 64.76 3kd6 h ILE 244 Cb 0.91 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 38.37 3kd6 h ILE 244 CO 0.14 0.17 -0.12 1.23 -1.08 0.00 0.00 178.15 178.49 3kd6 h GLY 245 N 2.23 0.50 0.97 8.18 0.00 -0.83 -0.42 103.07 113.70 3kd6 h GLY 245 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3kd6 h GLY 245 CO 0.02 0.41 0.22 0.84 0.00 0.00 0.00 176.54 178.04 3kd6 h HIS 246 N 0.16 0.70 -0.60 5.60 -0.00 -1.30 -1.67 115.15 118.04 3kd6 h HIS 246 Ca 0.05 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3kd6 h HIS 246 Cb 0.62 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 3kd6 h HIS 246 CO 0.07 0.56 0.18 -0.07 -0.00 0.00 0.00 177.93 178.66 3kd6 h LEU 247 N 0.63 0.88 -0.68 0.26 3.38 -1.50 -1.64 115.31 116.64 3kd6 h LEU 247 Ca 0.16 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kd6 h LEU 247 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kd6 h LEU 247 CO -0.02 0.86 0.44 0.00 0.09 0.00 0.00 178.44 179.81 3kd6 h ALA 248 N 1.05 0.86 -0.38 1.53 0.00 -0.84 0.51 119.26 122.00 3kd6 h ALA 248 Ca 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3kd6 h ALA 248 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kd6 h ALA 248 CO -0.00 0.26 -0.03 -0.09 0.00 0.00 0.00 179.25 179.39 3kd6 h ARG 249 N 0.90 0.68 0.00 0.00 9.65 -1.07 -3.09 114.38 121.45 3kd6 h ARG 249 Ca 0.25 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3kd6 h ARG 249 Cb -0.08 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 3kd6 h ARG 249 CO -0.07 0.80 -0.26 0.00 2.80 0.00 0.00 179.97 183.24 3kd6 n GLY 251 N 1.14 1.12 3.78 0.00 0.00 0.18 -4.99 105.19 106.42 3kd6 n GLY 251 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3kd6 n GLY 251 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kd6 s ASN 252 N -2.88 5.99 -0.22 1.61 3.04 -1.24 -5.01 114.94 116.23 3kd6 s ASN 252 Ca 0.00 0.31 0.12 0.00 0.04 0.00 0.00 52.86 53.33 3kd6 s ASN 252 Cb 0.00 -1.92 0.43 0.00 -1.54 0.00 0.00 41.25 38.23 3kd6 s ASN 252 CO 0.00 0.34 1.29 0.35 -3.04 0.00 0.00 177.10 176.04 3kd6 n THR 253 N 2.41 2.27 -1.17 -5.21 -2.24 -1.26 -4.79 114.28 104.28 3kd6 n THR 253 Ca -0.19 -2.91 -0.29 0.00 -2.27 0.00 0.00 64.05 58.38 3kd6 n THR 253 Cb 0.54 -0.26 0.15 0.00 -2.10 0.00 0.00 70.33 68.66 3kd6 n THR 253 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kd6 s SER 254 N -2.94 3.22 0.21 3.42 1.04 -1.26 -4.93 113.70 112.45 3kd6 s SER 254 Ca 0.39 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 58.17 3kd6 s SER 254 Cb 0.37 -2.12 0.26 0.00 0.10 0.00 0.00 66.02 64.63 3kd6 s SER 254 CO -0.03 -2.79 1.78 -0.08 0.98 0.00 0.00 173.24 173.09 3kd6 h GLU 255 N -1.66 0.52 -0.42 4.02 4.57 -2.06 -2.63 114.58 116.93 3kd6 h GLU 255 Ca -0.51 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.67 3kd6 h GLU 255 Cb 1.29 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3kd6 h GLU 255 CO 0.55 0.35 0.23 0.00 -1.18 0.00 0.00 179.01 178.95 3kd6 h ALA 256 N 1.37 0.53 0.00 2.92 0.00 -2.00 -1.96 119.26 120.12 3kd6 h ALA 256 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kd6 h ALA 256 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kd6 h ALA 256 CO -0.24 -0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.29 3kd6 n GLU 257 N -4.88 0.51 0.00 0.00 -0.58 -0.99 -2.54 120.64 112.15 3kd6 n GLU 257 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3kd6 n GLU 257 Cb 0.09 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3kd6 n GLU 257 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kd6 n ARG 259 N 1.36 0.00 -0.16 3.49 1.74 -0.74 -0.07 116.66 122.28 3kd6 n ARG 259 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3kd6 n ARG 259 Cb 0.25 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.69 3kd6 n ARG 259 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kd6 h LYS 260 N 0.00 0.94 -0.16 5.56 1.57 -1.77 -2.57 116.57 120.13 3kd6 h LYS 260 Ca 0.00 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 3kd6 h LYS 260 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kd6 h LYS 260 CO 0.00 1.05 0.02 0.00 -0.57 0.00 0.00 179.45 179.95 3kd6 h ALA 261 N 0.86 1.75 -0.55 3.86 0.00 -0.77 -0.55 119.26 123.86 3kd6 h ALA 261 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3kd6 h ALA 261 Cb 0.74 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kd6 h ALA 261 CO 0.06 0.20 -0.07 0.28 0.00 0.00 0.00 179.25 179.71 3kd6 h VAL 262 N 0.23 1.27 -0.50 0.00 2.07 -1.74 -0.78 116.25 116.80 3kd6 h VAL 262 Ca 0.06 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 3kd6 h VAL 262 Cb 0.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3kd6 h VAL 262 CO -0.00 0.44 -0.03 -0.07 0.02 0.00 0.00 177.57 177.93 3kd6 h LEU 263 N 0.91 0.83 -0.51 2.57 3.38 -0.77 -0.77 115.31 120.95 3kd6 h LEU 263 Ca 0.15 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3kd6 h LEU 263 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kd6 h LEU 263 CO 0.04 0.91 -0.35 1.88 0.09 0.00 0.00 178.44 181.01 3kd6 h TYR 264 N 0.79 0.98 -0.56 1.13 0.05 -1.00 -1.82 116.97 116.54 3kd6 h TYR 264 Ca 0.15 -0.28 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 3kd6 h TYR 264 Cb 0.51 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 3kd6 h TYR 264 CO 0.03 1.06 0.21 0.78 -1.05 0.00 0.00 178.16 179.19 3kd6 h GLY 265 N 0.88 0.91 1.02 3.88 0.00 -0.87 -2.59 103.07 106.30 3kd6 h GLY 265 Ca 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3kd6 h GLY 265 CO 0.08 0.48 0.55 1.76 0.00 0.00 0.00 176.54 179.42 3kd6 h SER 266 N 0.77 1.12 0.00 0.19 0.02 -0.97 -0.89 113.55 113.79 3kd6 h SER 266 Ca 0.18 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3kd6 h SER 266 Cb 0.23 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kd6 h SER 266 CO -0.01 0.87 0.00 0.00 -1.14 0.00 0.00 176.83 176.55 3kd6 n ALA 267 N -2.39 1.08 0.00 3.77 0.00 -0.70 -1.43 120.51 120.84 3kd6 n ALA 267 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kd6 n ALA 267 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3kd6 n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd6 n ALA 269 N 0.52 0.00 0.31 0.00 0.00 -0.34 -2.96 120.51 118.04 3kd6 n ALA 269 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 3kd6 n ALA 269 Cb 0.01 0.00 0.96 0.00 0.00 0.00 0.00 19.45 20.42 3kd6 n ALA 269 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kd6 h SER 270 N 0.00 0.00 0.17 0.00 4.64 -1.50 -2.39 113.55 114.47 3kd6 h SER 270 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3kd6 h SER 270 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3kd6 h SER 270 CO 0.00 0.00 -2.02 0.49 -0.87 0.00 0.00 176.83 174.43 3kd6 n PHE 271 N -3.07 1.03 -0.36 4.77 3.72 -1.16 -4.29 117.46 118.11 3kd6 n PHE 271 Ca -0.01 0.24 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 3kd6 n PHE 271 Cb 0.18 -1.14 0.23 0.00 -0.94 0.00 0.00 39.48 37.80 3kd6 n PHE 271 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kd6 n VAL 273 N -4.61 0.76 0.37 0.00 0.24 -1.08 -3.61 118.33 110.40 3kd6 n VAL 273 Ca 0.18 0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.81 3kd6 n VAL 273 Cb 0.33 -0.88 0.54 0.00 -1.47 0.00 0.00 33.84 32.36 3kd6 n VAL 273 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kd6 h GLU 274 N 0.00 0.00 -3.72 7.34 5.08 -1.47 0.31 114.58 122.12 3kd6 h GLU 274 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3kd6 h GLU 274 Cb 0.31 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 3kd6 h GLU 274 CO 0.00 0.00 -0.23 -0.65 -1.00 0.00 0.00 179.01 177.13 3kd6 s GLN 275 N -3.41 1.19 0.40 2.33 -0.21 -1.24 -4.56 119.66 114.17 3kd6 s GLN 275 Ca 0.04 -1.07 -0.26 0.00 0.02 0.00 0.00 55.36 54.08 3kd6 s GLN 275 Cb 0.09 0.41 -0.09 0.00 1.00 0.00 0.00 33.01 34.43 3kd6 s GLN 275 CO 0.45 -0.46 1.26 -0.06 -2.12 0.00 0.00 175.29 174.36 3kd6 s PHE 276 N -3.93 2.92 0.00 0.91 0.08 -1.26 -4.43 117.98 112.27 3kd6 s PHE 276 Ca 0.14 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.65 3kd6 s PHE 276 Cb 0.02 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 3kd6 s PHE 276 CO -0.02 -1.82 0.00 0.41 -0.10 0.00 0.00 175.22 173.70 3kd6 n GLY 277 N 0.68 0.26 1.54 4.36 0.00 -1.26 -3.57 105.19 107.20 3kd6 n GLY 277 Ca 0.04 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.16 3kd6 n GLY 277 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kd6 n PRO 278 N -0.11 3.86 0.06 1.61 -0.04 -1.26 -4.61 135.00 134.51 3kd6 n PRO 278 Ca 0.00 -2.47 0.09 0.00 -0.04 0.00 0.00 63.50 61.08 3kd6 n PRO 278 Cb 0.00 -2.01 0.39 0.00 -0.04 0.00 0.00 33.50 31.84 3kd6 n PRO 278 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kd6 n TYR 279 N 0.62 0.38 0.27 0.54 4.01 -1.23 -2.23 117.16 119.52 3kd6 n TYR 279 Ca 0.22 0.15 0.14 0.00 -0.16 0.00 0.00 57.90 58.25 3kd6 n TYR 279 Cb 0.93 -0.74 0.78 0.00 -0.31 0.00 0.00 39.34 40.00 3kd6 n TYR 279 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kd6 h ARG 280 N 0.00 0.00 0.00 -0.72 9.65 -1.83 -1.70 114.38 119.78 3kd6 h ARG 280 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kd6 h ARG 280 Cb 0.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3kd6 h ARG 280 CO 0.00 0.09 0.00 0.66 2.80 0.00 0.00 179.97 183.52 3kd6 n TYR 281 N -3.61 0.00 -0.10 2.20 4.01 -0.95 -2.80 117.16 115.92 3kd6 n TYR 281 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 3kd6 n TYR 281 Cb 0.21 -0.09 0.08 0.00 -0.31 0.00 0.00 39.34 39.23 3kd6 n TYR 281 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3kd6 h ASN 282 N 0.00 0.83 0.00 7.72 2.35 -1.51 -3.33 115.58 121.64 3kd6 h ASN 282 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3kd6 h ASN 282 Cb 0.07 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3kd6 h ASN 282 CO 0.00 1.01 -0.30 0.47 -1.65 0.00 0.00 177.43 176.97 3kd6 n ASP 283 N -4.12 0.37 -4.68 5.81 8.00 -1.21 -5.02 116.55 115.69 3kd6 n ASP 283 Ca 0.00 -0.61 -0.43 0.00 0.71 0.00 0.00 54.79 54.46 3kd6 n ASP 283 Cb 0.43 1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 42.50 3kd6 n ASP 283 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3kd6 n LEU 284 N -1.15 3.93 -4.72 0.64 7.94 -1.12 -4.99 117.00 117.52 3kd6 n LEU 284 Ca 0.01 0.98 -0.23 0.00 -1.11 0.00 0.00 56.01 55.66 3kd6 n LEU 284 Cb 0.09 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.46 3kd6 n LEU 284 CO 0.11 0.12 -0.26 1.51 -1.11 0.00 0.00 177.39 177.77 3kd6 s ASP 285 N 2.95 4.99 0.42 1.96 1.47 -1.26 -4.98 116.67 122.23 3kd6 s ASP 285 Ca 0.84 -0.45 0.18 0.00 1.18 0.00 0.00 52.55 54.30 3kd6 s ASP 285 Cb -0.51 -1.11 1.09 0.00 -0.34 0.00 0.00 42.92 42.05 3kd6 s ASP 285 CO 0.39 -0.01 1.86 -0.07 0.68 0.00 0.00 175.17 178.03 3kd6 h LEU 286 N 1.80 0.40 -0.75 2.11 3.38 -1.96 -1.72 115.31 118.57 3kd6 h LEU 286 Ca -0.46 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 3kd6 h LEU 286 Cb 1.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3kd6 h LEU 286 CO 0.60 0.16 -0.54 -0.07 0.09 0.00 0.00 178.44 178.68 3kd6 h LEU 287 N 0.40 0.25 -0.51 1.67 3.38 -1.99 -0.57 115.31 117.95 3kd6 h LEU 287 Ca 0.46 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 3kd6 h LEU 287 Cb 1.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3kd6 h LEU 287 CO -0.17 0.75 0.04 -0.33 0.09 0.00 0.00 178.44 178.82 3kd6 h GLU 288 N 0.17 0.87 -0.50 1.13 5.08 -1.73 -0.91 114.58 118.69 3kd6 h GLU 288 Ca 0.00 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3kd6 h GLU 288 Cb 1.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3kd6 h GLU 288 CO 0.08 0.88 0.24 0.28 -1.00 0.00 0.00 179.01 179.50 3kd6 h VAL 289 N 0.74 1.19 -0.54 3.13 2.07 -1.27 -0.80 116.25 120.78 3kd6 h VAL 289 Ca 0.15 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3kd6 h VAL 289 Cb 0.46 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3kd6 h VAL 289 CO 0.02 0.22 0.26 -0.78 0.02 0.00 0.00 177.57 177.31 3kd6 h ASP 290 N 0.67 0.71 -0.78 0.57 3.58 -0.92 -0.03 116.42 120.22 3kd6 h ASP 290 Ca 0.17 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 3kd6 h ASP 290 Cb 0.12 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3kd6 h ASP 290 CO -0.02 0.64 0.29 0.44 -2.88 0.00 0.00 179.24 177.71 3kd6 h ASP 291 N 0.73 1.10 -0.41 2.28 3.32 -0.92 -0.38 116.42 122.15 3kd6 h ASP 291 Ca 0.19 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3kd6 h ASP 291 Cb 0.12 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3kd6 h ASP 291 CO -0.02 0.99 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.31 3kd6 h ARG 292 N 1.15 0.86 -0.39 3.56 9.65 -0.77 -2.47 114.38 125.96 3kd6 h ARG 292 Ca 0.26 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3kd6 h ARG 292 Cb 0.26 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 3kd6 h ARG 292 CO -0.02 0.92 0.18 -0.92 2.80 0.00 0.00 179.97 182.93 3kd6 h TYR 293 N 0.78 0.58 -0.95 2.20 3.20 -0.58 -2.45 116.97 119.75 3kd6 h TYR 293 Ca 0.13 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3kd6 h TYR 293 Cb 0.60 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 3kd6 h TYR 293 CO 0.03 0.49 0.62 1.96 -1.64 0.00 0.00 178.16 179.63 3kd6 h GLN 294 N 0.49 1.12 -0.27 1.82 1.08 -0.76 0.52 115.11 119.11 3kd6 h GLN 294 Ca 0.13 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3kd6 h GLN 294 Cb 0.14 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3kd6 h GLN 294 CO -0.02 0.74 0.13 0.77 -0.95 0.00 0.00 178.83 179.51 3kd6 h SER 295 N 1.16 0.36 -0.41 1.46 0.02 -1.14 -0.98 113.55 114.02 3kd6 h SER 295 Ca 0.39 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3kd6 h SER 295 Cb 0.08 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3kd6 h SER 295 CO -0.13 0.39 0.13 -0.26 -1.14 0.00 0.00 176.83 175.82 3kd6 h PHE 296 N 0.30 0.72 0.11 3.45 0.04 -0.96 -1.30 116.94 119.30 3kd6 h PHE 296 Ca 0.09 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3kd6 h PHE 296 Cb 0.13 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3kd6 h PHE 296 CO -0.02 0.60 -0.05 1.25 -0.60 0.00 0.00 178.31 179.50 3kd6 h LEU 297 N 0.69 -0.12 -0.93 1.54 5.85 -0.44 -3.05 115.31 118.85 3kd6 h LEU 297 Ca 0.16 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kd6 h LEU 297 Cb 0.24 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3kd6 h LEU 297 CO -0.01 0.04 0.59 -0.33 -0.34 0.00 0.00 178.44 178.39 3kd6 h GLU 298 N -0.28 1.24 0.00 1.25 5.08 -0.94 -3.52 114.58 117.41 3kd6 h GLU 298 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3kd6 h GLU 298 Cb 0.23 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kd6 h GLU 298 CO 0.02 0.84 0.00 1.28 -1.00 0.00 0.00 179.01 180.15