#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knz n LEU -4 N 0.00 0.00 0.04 1.20 -0.00 -1.26 -2.54 117.00 114.44 3knz n LEU -4 Ca 0.00 0.27 -0.05 0.00 -0.00 0.00 0.00 56.01 56.22 3knz n LEU -4 Cb 0.00 -0.27 0.14 0.00 -0.00 0.00 0.00 43.42 43.30 3knz n LEU -4 CO 0.00 -0.16 0.58 0.22 -0.00 0.00 0.00 177.39 178.03 3knz h TYR -3 N 0.00 0.48 -0.48 1.47 5.03 -2.00 -2.88 116.97 118.58 3knz h TYR -3 Ca 0.00 -0.15 -0.13 0.00 2.58 0.00 0.00 58.73 61.04 3knz h TYR -3 Cb 0.11 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 3knz h TYR -3 CO 0.00 0.79 -0.21 0.74 -1.32 0.00 0.00 178.16 178.16 3knz h PHE -2 N 0.32 1.10 0.00 -3.82 0.04 -1.91 -2.09 116.94 110.58 3knz h PHE -2 Ca 0.02 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.53 3knz h PHE -2 Cb 0.93 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3knz h PHE -2 CO 0.03 1.08 0.29 1.96 -0.60 0.00 0.00 178.31 181.06 3knz h GLN -1 N 0.84 0.00 -0.72 1.51 7.50 -1.66 0.19 115.11 122.76 3knz h GLN -1 Ca 0.11 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.14 3knz h GLN -1 Cb 0.78 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.24 3knz h GLN -1 CO 0.06 0.00 0.15 0.41 -1.50 0.00 0.00 178.83 177.95 3knz n GLY 0 N -1.22 3.19 0.32 3.46 0.00 -0.79 -4.13 105.19 106.02 3knz n GLY 0 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3knz n GLY 0 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knz n ASN 2 N 0.17 0.00 -0.11 1.61 3.02 0.65 -2.69 115.26 117.91 3knz n ASN 2 Ca 0.32 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 3knz n ASN 2 Cb 1.22 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 40.49 3knz n ASN 2 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3knz n GLU 3 N 0.00 0.30 -0.08 3.52 1.02 -1.26 -4.44 120.64 119.71 3knz n GLU 3 Ca 0.00 -0.22 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 3knz n GLU 3 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 3knz n GLU 3 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3knz h THR 4 N 0.53 1.06 -0.38 2.62 2.02 -1.85 -2.55 112.91 114.36 3knz h THR 4 Ca 0.00 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.11 3knz h THR 4 Cb 0.54 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3knz h THR 4 CO 0.00 0.07 0.07 -0.65 0.37 0.00 0.00 175.52 175.38 3knz h PRO 5 N 0.36 0.19 -0.60 6.66 0.11 -1.88 -1.35 132.00 135.49 3knz h PRO 5 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3knz h PRO 5 Cb -0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 3knz h PRO 5 CO -0.03 0.13 0.37 1.25 -0.21 0.00 0.00 178.00 179.51 3knz h LEU 6 N 0.20 0.70 -0.45 2.35 5.85 -1.80 0.05 115.31 122.21 3knz h LEU 6 Ca 0.18 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 3knz h LEU 6 Cb 0.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3knz h LEU 6 CO -0.24 0.53 -0.29 0.03 -0.34 0.00 0.00 178.44 178.13 3knz h ARG 7 N 0.82 0.97 -0.46 1.25 2.47 -0.96 -1.35 114.38 117.13 3knz h ARG 7 Ca 0.22 -0.46 -0.11 0.00 -1.26 0.00 0.00 59.98 58.37 3knz h ARG 7 Cb -0.05 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3knz h ARG 7 CO -0.04 1.12 -0.13 -0.07 0.56 0.00 0.00 179.97 181.41 3knz h LEU 8 N 0.82 0.91 -0.72 3.04 3.38 -0.69 -3.01 115.31 119.05 3knz h LEU 8 Ca 0.09 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3knz h LEU 8 Cb 0.88 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3knz h LEU 8 CO 0.08 1.07 0.41 -0.07 0.09 0.00 0.00 178.44 180.03 3knz h LEU 9 N 0.74 0.88 -3.08 1.67 3.38 -0.87 -2.98 115.31 115.05 3knz h LEU 9 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3knz h LEU 9 Cb 0.68 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3knz h LEU 9 CO 0.05 0.70 0.00 -0.62 0.09 0.00 0.00 178.44 178.66 3knz n GLU 10 N -4.50 0.00 0.00 1.13 1.02 -0.52 -3.39 120.64 114.38 3knz n GLU 10 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3knz n GLU 10 Cb 0.07 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3knz n GLU 10 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3knz n LEU 12 N 1.50 0.00 -1.74 -4.62 4.77 -1.13 -3.32 117.00 112.46 3knz n LEU 12 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3knz n LEU 12 Cb 0.00 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.47 3knz n LEU 12 CO 0.00 0.00 0.84 0.35 -1.33 0.00 0.00 177.39 177.25 3knz n THR 13 N 0.00 2.33 -3.86 -5.08 -2.24 -1.22 -4.94 114.28 99.27 3knz n THR 13 Ca 0.00 -1.27 -0.37 0.00 -2.27 0.00 0.00 64.05 60.14 3knz n THR 13 Cb 0.00 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 3knz n THR 13 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3knz s GLN 14 N -2.37 3.47 -0.49 -0.78 -0.21 -1.21 -5.04 119.66 113.04 3knz s GLN 14 Ca 0.52 -0.12 -0.28 0.00 0.02 0.00 0.00 55.36 55.50 3knz s GLN 14 Cb 0.37 -3.18 0.03 0.00 1.00 0.00 0.00 33.01 31.23 3knz s GLN 14 CO 0.19 0.76 1.09 0.95 -2.12 0.00 0.00 175.29 176.16 3knz s THR 15 N -1.07 4.25 -1.15 -0.19 -4.23 -1.26 -4.93 115.64 107.06 3knz s THR 15 Ca 0.17 1.06 -0.09 0.00 -1.18 0.00 0.00 61.69 61.65 3knz s THR 15 Cb -0.12 -4.58 0.25 0.00 1.34 0.00 0.00 72.50 69.39 3knz s THR 15 CO 0.06 -1.01 1.35 0.54 -0.54 0.00 0.00 174.62 175.02 3knz n ARG 16 N 7.75 3.73 -0.00 3.99 5.12 -1.26 -4.79 116.66 131.20 3knz n ARG 16 Ca 0.10 -4.25 0.01 0.00 -1.93 0.00 0.00 57.85 51.77 3knz n ARG 16 Cb 0.49 -2.69 0.32 0.00 -1.16 0.00 0.00 32.46 29.42 3knz n ARG 16 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3knz h GLU 17 N 6.38 0.54 -0.61 5.56 5.08 -2.00 -2.38 114.58 127.15 3knz h GLU 17 Ca 0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3knz h GLU 17 Cb 0.79 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3knz h GLU 17 CO 1.20 0.52 0.40 0.38 -1.00 0.00 0.00 179.01 180.52 3knz h ASP 18 N 0.52 0.71 -0.50 1.42 2.03 -1.90 -0.73 116.42 117.98 3knz h ASP 18 Ca 0.12 -0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.33 3knz h ASP 18 Cb 0.26 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.56 3knz h ASP 18 CO 0.00 0.53 0.09 -0.07 -1.03 0.00 0.00 179.24 178.76 3knz h LEU 19 N 0.83 0.83 -0.42 0.15 3.38 -1.77 -2.39 115.31 115.92 3knz h LEU 19 Ca 0.22 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3knz h LEU 19 Cb -0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3knz h LEU 19 CO -0.05 0.84 -0.64 -0.50 0.09 0.00 0.00 178.44 178.19 3knz h TRP 20 N 0.84 0.73 -0.80 1.13 4.06 -1.10 -0.75 115.95 120.06 3knz h TRP 20 Ca 0.17 -0.29 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 3knz h TRP 20 Cb 0.37 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 3knz h TRP 20 CO 0.02 1.05 0.43 0.00 -3.56 0.00 0.00 178.44 176.38 3knz h ARG 21 N 0.41 1.11 -0.18 0.49 3.08 -1.03 -0.96 114.38 117.30 3knz h ARG 21 Ca -0.01 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3knz h ARG 21 Cb 1.21 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3knz h ARG 21 CO 0.12 0.81 -0.03 0.00 -1.07 0.00 0.00 179.97 179.81 3knz h ALA 22 N 1.36 0.24 -0.47 0.04 0.00 -1.21 -2.17 119.26 117.05 3knz h ALA 22 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3knz h ALA 22 Cb 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3knz h ALA 22 CO -0.04 -0.01 0.21 0.00 0.00 0.00 0.00 179.25 179.40 3knz h ALA 23 N 0.74 1.48 -0.25 0.00 0.00 -0.88 -1.69 119.26 118.67 3knz h ALA 23 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3knz h ALA 23 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3knz h ALA 23 CO 0.01 0.40 -0.08 0.37 0.00 0.00 0.00 179.25 179.96 3knz h GLN 24 N 0.66 0.50 -0.17 0.00 4.15 -1.10 -2.66 115.11 116.48 3knz h GLN 24 Ca 0.16 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3knz h GLN 24 Cb 0.10 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3knz h GLN 24 CO -0.02 0.73 0.11 0.00 -1.93 0.00 0.00 178.83 177.72 3knz h ALA 25 N 0.75 0.22 -0.54 3.38 0.00 -1.01 -0.83 119.26 121.23 3knz h ALA 25 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3knz h ALA 25 Cb 0.56 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3knz h ALA 25 CO 0.03 -0.28 -0.14 1.25 0.00 0.00 0.00 179.25 180.11 3knz h LEU 26 N 0.21 -0.51 -0.40 0.00 6.46 -1.30 0.45 115.31 120.21 3knz h LEU 26 Ca 0.06 0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.90 3knz h LEU 26 Cb 0.01 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 3knz h LEU 26 CO -0.01 -0.18 -0.06 0.74 -0.62 0.00 0.00 178.44 178.31 3knz h THR 27 N -0.00 1.27 0.00 1.05 2.02 -1.16 -2.71 112.91 113.38 3knz h THR 27 Ca 0.26 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 3knz h THR 27 Cb 0.40 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3knz h THR 27 CO -0.55 0.38 -0.74 -0.33 0.37 0.00 0.00 175.52 174.64 3knz h GLU 28 N 0.57 0.00 -0.63 6.66 5.08 -0.46 -3.34 114.58 122.46 3knz h GLU 28 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3knz h GLU 28 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3knz h GLU 28 CO 0.03 0.36 0.00 0.54 -1.00 0.00 0.00 179.01 178.95 3knz n ARG 29 N -3.08 4.15 -3.29 2.33 1.74 0.15 -4.97 116.66 113.69 3knz n ARG 29 Ca -0.01 -2.88 -0.19 0.00 -0.77 0.00 0.00 57.85 53.99 3knz n ARG 29 Cb 0.73 -2.05 0.06 0.00 -1.02 0.00 0.00 32.46 30.18 3knz n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knz n GLY 30 N 0.89 -0.28 3.74 -0.13 0.00 -1.23 -4.98 105.19 103.20 3knz n GLY 30 Ca 0.26 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 3knz n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knz s VAL 31 N -3.22 3.03 -0.12 1.61 1.01 -1.02 -4.71 120.40 116.98 3knz s VAL 31 Ca 0.43 0.88 0.15 0.00 0.00 0.00 0.00 61.98 63.44 3knz s VAL 31 Cb -0.19 -3.56 -0.23 0.00 0.00 0.00 0.00 36.38 32.40 3knz s VAL 31 CO 0.53 0.15 0.38 0.35 0.00 0.00 0.00 175.10 176.51 3knz n THR 32 N 2.24 0.00 -3.93 3.92 -2.24 0.72 -4.96 114.28 110.03 3knz n THR 32 Ca 0.05 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 3knz n THR 32 Cb 0.42 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 3knz n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knz s ARG 33 N -2.99 1.78 -0.10 -0.78 1.70 -1.16 -4.34 118.95 113.06 3knz s ARG 33 Ca -0.04 -1.23 0.03 0.00 -0.47 0.00 0.00 55.73 54.02 3knz s ARG 33 Cb 0.10 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 3knz s ARG 33 CO 0.64 -0.78 -0.21 0.42 -1.08 0.00 0.00 175.30 174.29 3knz s ILE 34 N -3.63 1.86 -0.31 4.99 1.09 -0.32 -1.82 121.20 123.07 3knz s ILE 34 Ca 0.18 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.82 3knz s ILE 34 Cb -0.03 -1.63 0.06 0.00 -1.06 0.00 0.00 42.46 39.79 3knz s ILE 34 CO 0.10 0.52 0.01 -0.63 -0.10 0.00 0.00 174.94 174.83 3knz s ILE 35 N 0.53 2.88 -0.17 2.92 1.01 -0.32 -0.61 121.20 127.44 3knz s ILE 35 Ca -0.15 -1.53 -0.20 0.00 0.00 0.00 0.00 60.65 58.76 3knz s ILE 35 Cb -0.17 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3knz s ILE 35 CO 0.05 -0.18 0.59 -0.76 0.00 0.00 0.00 174.94 174.64 3knz s LEU 36 N 1.21 4.19 -0.01 2.97 1.43 0.17 -1.11 118.68 127.52 3knz s LEU 36 Ca -0.03 0.84 0.07 0.00 -1.03 0.00 0.00 54.13 53.98 3knz s LEU 36 Cb -0.20 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 3knz s LEU 36 CO -0.02 -0.18 -0.24 0.28 0.23 0.00 0.00 176.35 176.42 3knz s THR 37 N 1.46 2.25 -1.33 5.49 -1.32 -0.40 -1.27 115.64 120.52 3knz s THR 37 Ca 0.28 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 3knz s THR 37 Cb -0.16 -1.81 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 3knz s THR 37 CO 0.11 0.54 0.00 0.61 -2.21 0.00 0.00 174.62 173.68 3knz n GLY 38 N 2.29 -1.53 3.14 6.08 0.00 -0.56 -1.39 105.19 113.24 3knz n GLY 38 Ca -0.16 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 3knz n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3knz s SER 39 N -0.74 0.99 0.74 1.61 0.01 -1.26 -3.99 113.70 111.05 3knz s SER 39 Ca 0.00 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.29 3knz s SER 39 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.34 3knz s SER 39 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 3knz n GLY 40 N 0.11 2.95 0.34 3.44 0.00 -1.26 -1.65 105.19 109.13 3knz n GLY 40 Ca -0.13 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 3knz n GLY 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3knz h THR 41 N 0.00 1.13 -0.52 2.61 2.02 -1.98 0.12 112.91 116.30 3knz h THR 41 Ca 0.00 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3knz h THR 41 Cb 0.00 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 3knz h THR 41 CO 0.00 0.20 0.25 0.28 0.37 0.00 0.00 175.52 176.63 3knz h SER 42 N 1.12 0.67 -0.40 4.18 0.02 -1.66 0.23 113.55 117.72 3knz h SER 42 Ca 0.37 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3knz h SER 42 Cb 0.05 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3knz h SER 42 CO -0.13 0.61 0.13 0.22 -1.14 0.00 0.00 176.83 176.51 3knz h TYR 43 N 0.69 0.63 -0.50 3.45 3.20 -1.02 -1.89 116.97 121.53 3knz h TYR 43 Ca 0.18 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3knz h TYR 43 Cb 0.11 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3knz h TYR 43 CO -0.01 0.59 0.13 0.45 -1.64 0.00 0.00 178.16 177.68 3knz h HIS 44 N 0.50 0.84 -1.01 -3.82 3.86 -0.47 -1.34 115.15 113.71 3knz h HIS 44 Ca 0.13 -0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.36 3knz h HIS 44 Cb 0.25 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 28.40 3knz h HIS 44 CO 0.01 0.74 0.64 0.78 0.86 0.00 0.00 177.93 180.96 3knz h GLY 45 N 0.69 1.64 0.87 2.45 0.00 -0.42 -0.98 103.07 107.32 3knz h GLY 45 Ca 0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3knz h GLY 45 CO 0.00 0.19 0.02 0.00 0.00 0.00 0.00 176.54 176.75 3knz h ALA 46 N 1.53 0.37 -0.79 3.60 0.00 -0.66 -1.95 119.26 121.36 3knz h ALA 46 Ca 0.49 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3knz h ALA 46 Cb 0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3knz h ALA 46 CO -0.25 0.09 0.47 -0.07 0.00 0.00 0.00 179.25 179.48 3knz h LEU 47 N 0.27 0.72 -0.92 0.00 3.38 -0.65 -0.46 115.31 117.65 3knz h LEU 47 Ca 0.08 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3knz h LEU 47 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3knz h LEU 47 CO 0.01 0.46 -0.08 0.74 0.09 0.00 0.00 178.44 179.66 3knz h THR 48 N 0.86 1.25 0.00 0.22 2.02 -1.01 -3.08 112.91 113.16 3knz h THR 48 Ca 0.35 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3knz h THR 48 Cb 0.19 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3knz h THR 48 CO -0.18 0.37 -0.57 0.00 0.37 0.00 0.00 175.52 175.51 3knz n ALA 49 N -2.48 3.13 -0.15 6.16 0.00 -0.75 -4.53 120.51 121.89 3knz n ALA 49 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 3knz n ALA 49 Cb 0.33 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3knz n ALA 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knz h ARG 50 N 0.00 -0.31 -0.26 0.00 2.43 -1.00 -2.40 114.38 112.84 3knz h ARG 50 Ca 0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3knz h ARG 50 Cb 0.65 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 3knz h ARG 50 CO 0.00 -0.21 0.04 1.15 -1.51 0.00 0.00 179.97 179.44 3knz h THR 51 N -0.32 0.86 0.00 0.20 2.02 -1.79 -0.25 112.91 113.63 3knz h THR 51 Ca 0.13 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3knz h THR 51 Cb 0.58 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3knz h THR 51 CO -0.60 0.02 0.00 0.33 0.37 0.00 0.00 175.52 175.64 3knz n PHE 52 N -5.11 0.00 0.00 3.16 7.35 -0.90 -1.79 117.46 120.17 3knz n PHE 52 Ca -0.01 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3knz n PHE 52 Cb 0.12 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.91 3knz n PHE 52 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3knz n GLN 54 N 0.67 0.00 0.18 -4.13 6.02 -0.11 -1.97 117.38 118.04 3knz n GLN 54 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3knz n GLN 54 Cb 0.01 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.19 3knz n GLN 54 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3knz h ARG 55 N 0.00 -0.44 0.00 -1.09 2.43 -1.60 -2.01 114.38 111.67 3knz h ARG 55 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3knz h ARG 55 Cb 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3knz h ARG 55 CO 0.00 -0.13 -0.18 -1.49 -1.51 0.00 0.00 179.97 176.66 3knz h TRP 56 N -0.77 0.00 0.00 2.20 4.06 -1.67 -3.16 115.95 116.61 3knz h TRP 56 Ca -0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3knz h TRP 56 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 3knz h TRP 56 CO 0.02 0.00 -1.09 0.00 -3.56 0.00 0.00 178.44 173.81 3knz n ALA 58 N -2.16 -1.40 -2.81 0.00 0.00 -0.76 -4.94 120.51 108.44 3knz n ALA 58 Ca -0.00 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3knz n ALA 58 Cb 0.54 -4.49 -0.08 0.00 0.00 0.00 0.00 19.45 15.42 3knz n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3knz s LEU 59 N -7.20 1.34 0.40 0.00 1.43 -1.23 -5.09 118.68 108.33 3knz s LEU 59 Ca 0.55 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.97 3knz s LEU 59 Cb -0.26 1.00 -0.09 0.00 0.03 0.00 0.00 46.19 46.87 3knz s LEU 59 CO 0.79 -0.59 1.32 -2.84 0.23 0.00 0.00 176.35 175.26 3knz s PRO 60 N -2.81 3.99 -0.16 1.29 0.02 -1.26 -4.46 135.00 131.61 3knz s PRO 60 Ca -0.03 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 3knz s PRO 60 Cb 0.00 -2.79 0.04 0.00 0.02 0.00 0.00 34.50 31.77 3knz s PRO 60 CO -0.05 -0.49 -0.03 0.08 -0.33 0.00 0.00 177.00 176.18 3knz s VAL 61 N -1.24 0.95 0.12 3.83 1.01 -1.26 -1.18 120.40 122.64 3knz s VAL 61 Ca 0.56 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3knz s VAL 61 Cb -0.39 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3knz s VAL 61 CO 0.51 0.08 0.07 -1.81 0.00 0.00 0.00 175.10 173.95 3knz s ASP 62 N 1.70 5.34 -0.05 3.32 1.01 0.22 -4.98 116.67 123.22 3knz s ASP 62 Ca 0.01 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.18 3knz s ASP 62 Cb -0.15 -1.36 -0.00 0.00 1.01 0.00 0.00 42.92 42.42 3knz s ASP 62 CO -0.07 0.13 -0.18 -0.69 0.21 0.00 0.00 175.17 174.57 3knz s VAL 63 N -1.54 1.50 0.13 -1.27 1.01 -1.26 0.45 120.40 119.42 3knz s VAL 63 Ca 0.29 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3knz s VAL 63 Cb -0.11 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 35.05 3knz s VAL 63 CO 0.21 0.43 0.82 0.00 0.00 0.00 0.00 175.10 176.57 3knz s TRP 65 N -3.44 3.10 0.26 0.00 0.51 -1.26 -1.49 118.94 116.62 3knz s TRP 65 Ca 0.07 1.60 -0.02 0.00 -2.12 0.00 0.00 56.10 55.63 3knz s TRP 65 Cb -0.02 -3.05 0.46 0.00 -0.81 0.00 0.00 33.47 30.05 3knz s TRP 65 CO -0.04 -0.69 1.81 -1.35 -0.51 0.00 0.00 176.95 176.17 3knz h PRO 66 N 1.82 0.78 -3.16 4.98 0.11 -1.90 -3.35 132.00 131.28 3knz h PRO 66 Ca -0.49 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 3knz h PRO 66 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3knz h PRO 66 CO 0.60 0.51 0.69 1.97 -0.21 0.00 0.00 178.00 181.56 3knz n PHE 67 N -4.74 0.11 -2.58 0.65 1.16 -1.26 -4.62 117.46 106.17 3knz n PHE 67 Ca 0.15 -0.42 0.00 0.00 -1.87 0.00 0.00 57.45 55.32 3knz n PHE 67 Cb 0.32 -0.66 0.00 0.00 -1.61 0.00 0.00 39.48 37.53 3knz n PHE 67 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3knz n LEU 69 N 3.49 0.00 0.00 5.98 4.77 -1.26 -5.02 117.00 124.96 3knz n LEU 69 Ca 0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 3knz n LEU 69 Cb 0.10 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.41 3knz n LEU 69 CO 0.33 0.00 0.70 -0.90 -1.33 0.00 0.00 177.39 176.18 3knz n ASP 70 N 0.58 -1.04 0.05 -1.43 3.85 -1.26 -4.77 116.55 112.53 3knz n ASP 70 Ca 0.00 -1.28 -0.03 0.00 -0.71 0.00 0.00 54.79 52.77 3knz n ASP 70 Cb 0.00 -0.96 0.21 0.00 -1.35 0.00 0.00 41.12 39.03 3knz n ASP 70 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3knz h ASP 71 N -2.18 0.39 -0.49 -1.12 3.32 -1.97 -2.10 116.42 112.28 3knz h ASP 71 Ca -0.40 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 3knz h ASP 71 Cb 1.16 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3knz h ASP 71 CO 0.27 0.69 0.11 -0.33 -1.72 0.00 0.00 179.24 178.26 3knz h GLU 72 N 0.33 0.79 -0.20 3.56 5.08 -1.99 -1.79 114.58 120.36 3knz h GLU 72 Ca 0.04 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3knz h GLU 72 Cb 0.72 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3knz h GLU 72 CO 0.06 0.77 -0.12 1.15 -1.00 0.00 0.00 179.01 179.87 3knz h THR 73 N 0.67 1.31 0.00 1.13 2.02 -1.89 -2.82 112.91 113.34 3knz h THR 73 Ca 0.15 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 3knz h THR 73 Cb 0.34 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3knz h THR 73 CO 0.00 0.36 -0.11 -0.07 0.37 0.00 0.00 175.52 176.08 3knz h LEU 74 N 0.12 0.00 0.07 2.58 3.38 -1.36 -2.73 115.31 117.37 3knz h LEU 74 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 3knz h LEU 74 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3knz h LEU 74 CO 0.03 0.11 -1.24 0.00 0.09 0.00 0.00 178.44 177.43 3knz h ALA 75 N 1.89 0.27 -0.09 1.53 0.00 -1.23 -3.31 119.26 118.31 3knz h ALA 75 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3knz h ALA 75 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3knz h ALA 75 CO 0.01 1.15 0.00 0.54 0.00 0.00 0.00 179.25 180.95 3knz n ARG 76 N -3.42 1.88 -3.68 0.00 1.74 -1.07 -4.92 116.66 107.20 3knz n ARG 76 Ca -0.08 -1.30 -0.33 0.00 -0.77 0.00 0.00 57.85 55.38 3knz n ARG 76 Cb 1.00 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.93 3knz n ARG 76 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3knz s SER 77 N -1.84 6.53 0.82 0.55 0.15 -1.04 -5.08 113.70 113.78 3knz s SER 77 Ca 0.35 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.51 3knz s SER 77 Cb 0.20 -2.11 0.09 0.00 -1.71 0.00 0.00 66.02 62.49 3knz s SER 77 CO 0.31 0.13 1.10 -0.83 1.20 0.00 0.00 173.24 175.15 3knz s GLY 78 N -2.09 1.66 0.24 9.45 0.00 -1.26 -4.90 107.32 110.43 3knz s GLY 78 Ca 0.36 0.22 -0.30 0.00 0.00 0.00 0.00 44.72 45.00 3knz s GLY 78 CO 0.21 0.61 1.02 1.17 0.00 0.00 0.00 173.10 176.11 3knz n LYS 79 N -3.70 1.18 -4.13 2.90 4.81 -1.26 -4.79 118.16 113.17 3knz n LYS 79 Ca 0.09 0.42 -0.09 0.00 -0.87 0.00 0.00 58.31 57.86 3knz n LYS 79 Cb 0.53 -1.79 -0.10 0.00 0.02 0.00 0.00 35.03 33.69 3knz n LYS 79 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knz s ALA 80 N -0.77 0.73 -0.40 3.14 0.00 -1.26 -0.20 121.76 123.00 3knz s ALA 80 Ca 0.64 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 3knz s ALA 80 Cb -0.77 0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.86 3knz s ALA 80 CO 0.57 -0.39 0.25 -1.17 0.00 0.00 0.00 175.76 175.02 3knz s LEU 81 N -2.99 4.94 -0.32 0.00 2.96 -0.75 -1.02 118.68 121.50 3knz s LEU 81 Ca 0.14 -1.12 -0.16 0.00 -0.22 0.00 0.00 54.13 52.78 3knz s LEU 81 Cb 0.07 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3knz s LEU 81 CO -0.05 -0.45 0.40 -0.69 -1.32 0.00 0.00 176.35 174.24 3knz s VAL 82 N 1.55 5.14 -0.32 1.68 1.01 0.64 -1.18 120.40 128.93 3knz s VAL 82 Ca 0.03 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3knz s VAL 82 Cb -0.20 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3knz s VAL 82 CO 0.06 -0.03 0.11 -0.69 0.00 0.00 0.00 175.10 174.55 3knz s VAL 83 N 2.11 4.04 -0.37 2.92 1.01 -0.27 -0.97 120.40 128.87 3knz s VAL 83 Ca 0.14 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 3knz s VAL 83 Cb -0.16 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3knz s VAL 83 CO 0.11 -0.03 0.88 -0.83 0.00 0.00 0.00 175.10 175.23 3knz s GLY 84 N 1.49 1.60 -0.18 4.51 0.00 -0.35 -1.28 107.32 113.11 3knz s GLY 84 Ca 0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 3knz s GLY 84 CO 0.03 1.94 0.07 -0.42 0.00 0.00 0.00 173.10 174.72 3knz s ILE 85 N 3.36 4.87 -0.06 0.90 1.01 -0.48 -4.38 121.20 126.41 3knz s ILE 85 Ca 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 3knz s ILE 85 Cb -0.12 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.18 3knz s ILE 85 CO 0.18 0.48 0.23 -0.55 0.00 0.00 0.00 174.94 175.28 3knz s SER 86 N 0.22 -0.19 0.16 3.58 0.15 -1.26 -4.52 113.70 111.84 3knz s SER 86 Ca 0.05 0.29 0.07 0.00 0.70 0.00 0.00 55.95 57.06 3knz s SER 86 Cb -0.12 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3knz s SER 86 CO 0.00 -0.19 1.37 1.56 1.20 0.00 0.00 173.24 177.19 3knz h GLN 87 N 5.21 0.02 0.00 5.44 1.08 -1.93 -1.92 115.11 123.00 3knz h GLN 87 Ca -0.27 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3knz h GLN 87 Cb 1.19 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3knz h GLN 87 CO 0.37 0.90 0.00 0.41 -0.95 0.00 0.00 178.83 179.56 3knz n GLY 88 N 1.02 1.01 0.81 3.46 0.00 -1.26 -3.15 105.19 107.08 3knz n GLY 88 Ca -0.01 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.52 3knz n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knz n GLY 89 N 5.00 0.68 0.00 -0.02 0.00 -1.26 -0.46 105.19 109.13 3knz n GLY 89 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3knz n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knz n GLY 90 N 1.32 2.03 3.93 -0.02 0.00 -1.26 -1.04 105.19 110.15 3knz n GLY 90 Ca 0.14 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 3knz n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3knz s SER 91 N 0.00 5.05 0.48 1.61 1.04 -1.26 -4.66 113.70 115.96 3knz s SER 91 Ca 0.00 0.46 0.24 0.00 0.48 0.00 0.00 55.95 57.12 3knz s SER 91 Cb 0.00 -1.22 1.22 0.00 0.10 0.00 0.00 66.02 66.12 3knz s SER 91 CO 0.00 -1.42 1.98 -0.07 0.98 0.00 0.00 173.24 174.72 3knz h LEU 92 N -0.42 0.00 -0.19 2.42 3.38 -1.98 -1.40 115.31 117.12 3knz h LEU 92 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3knz h LEU 92 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3knz h LEU 92 CO 0.59 0.18 -0.15 0.28 0.09 0.00 0.00 178.44 179.43 3knz h SER 93 N 0.00 0.47 -0.34 -0.43 0.02 -1.99 -0.84 113.55 110.45 3knz h SER 93 Ca -0.00 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 3knz h SER 93 Cb 0.46 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3knz h SER 93 CO 0.02 0.83 0.04 0.74 -1.14 0.00 0.00 176.83 177.32 3knz h THR 94 N 0.12 1.24 -0.31 -2.27 2.02 -1.86 -0.31 112.91 111.54 3knz h THR 94 Ca 0.04 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.39 3knz h THR 94 Cb 0.68 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3knz h THR 94 CO 0.04 0.29 0.07 0.25 0.37 0.00 0.00 175.52 176.54 3knz h LEU 95 N 0.40 0.04 -0.76 2.58 5.85 -1.26 -2.52 115.31 119.64 3knz h LEU 95 Ca 0.10 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3knz h LEU 95 Cb 0.38 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3knz h LEU 95 CO 0.01 0.06 0.23 0.00 -0.34 0.00 0.00 178.44 178.40 3knz h ALA 96 N 1.22 0.99 0.00 1.25 0.00 -0.95 -1.28 119.26 120.49 3knz h ALA 96 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3knz h ALA 96 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3knz h ALA 96 CO -0.18 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3knz n ALA 97 N -2.45 1.18 0.00 0.00 0.00 -0.14 -0.40 120.51 118.69 3knz n ALA 97 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3knz n ALA 97 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3knz n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knz n GLU 99 N 0.57 0.00 -0.23 0.00 1.02 -0.48 -1.00 120.64 120.52 3knz n GLU 99 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3knz n GLU 99 Cb 0.02 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.48 3knz n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knz h ARG 100 N 0.00 0.87 -0.09 3.49 3.08 -1.00 -1.18 114.38 119.54 3knz h ARG 100 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3knz h ARG 100 Cb 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3knz h ARG 100 CO 0.00 0.61 -0.05 0.00 -1.07 0.00 0.00 179.97 179.46 3knz h ALA 101 N 1.21 0.03 -0.67 0.04 0.00 -1.31 -3.00 119.26 115.57 3knz h ALA 101 Ca 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3knz h ALA 101 Cb -0.05 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3knz h ALA 101 CO -0.05 -0.51 0.36 -0.09 0.00 0.00 0.00 179.25 178.96 3knz h ARG 102 N -0.04 0.93 0.00 0.00 2.43 -1.67 -1.87 114.38 114.15 3knz h ARG 102 Ca 0.05 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3knz h ARG 102 Cb 0.12 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3knz h ARG 102 CO -0.12 0.70 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.10 3knz h ASN 103 N 0.91 0.00 0.12 -3.80 2.35 -1.10 -2.16 115.58 111.90 3knz h ASN 103 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3knz h ASN 103 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3knz h ASN 103 CO -0.04 0.04 -0.63 0.52 -1.65 0.00 0.00 177.43 175.68 3knz n VAL 104 N -3.36 0.00 0.00 2.81 0.31 -1.01 -4.97 118.33 112.11 3knz n VAL 104 Ca -0.02 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3knz n VAL 104 Cb 0.17 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 33.96 3knz n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3knz n GLY 105 N 1.45 0.95 3.78 2.92 0.00 -0.81 -5.08 105.19 108.39 3knz n GLY 105 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3knz n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3knz s HIS 106 N -2.00 2.70 0.04 1.61 3.76 -0.74 -4.89 115.29 115.77 3knz s HIS 106 Ca 0.00 1.32 -0.08 0.00 -0.15 0.00 0.00 55.06 56.14 3knz s HIS 106 Cb 0.00 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 3knz s HIS 106 CO 0.00 -1.83 0.33 0.42 -0.85 0.00 0.00 174.74 172.81 3knz s ILE 107 N -3.02 5.20 0.17 0.60 1.09 -0.19 -4.29 121.20 120.76 3knz s ILE 107 Ca 0.61 0.31 0.10 0.00 -1.10 0.00 0.00 60.65 60.57 3knz s ILE 107 Cb -0.16 -3.60 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 3knz s ILE 107 CO 0.55 0.34 -0.21 0.42 -0.10 0.00 0.00 174.94 175.95 3knz s THR 108 N -1.33 2.02 0.02 2.92 -4.23 -1.26 -0.26 115.64 113.52 3knz s THR 108 Ca 0.30 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.82 3knz s THR 108 Cb -0.14 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.79 3knz s THR 108 CO 0.17 -0.20 0.16 0.00 -0.54 0.00 0.00 174.62 174.21 3knz s ALA 109 N -1.76 -0.32 0.00 3.99 0.00 -0.14 -1.76 121.76 121.77 3knz s ALA 109 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3knz s ALA 109 Cb -0.07 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3knz s ALA 109 CO 0.07 -0.29 0.00 -1.13 0.00 0.00 0.00 175.76 174.41 3knz n SER 110 N 1.00 1.41 0.00 0.00 3.41 -0.64 -1.22 113.62 117.58 3knz n SER 110 Ca -0.20 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3knz n SER 110 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3knz n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knz n ALA 112 N -3.00 0.00 1.09 7.33 0.00 -1.26 -0.29 120.51 124.39 3knz n ALA 112 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3knz n ALA 112 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 3knz n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knz n GLY 113 N -0.75 -0.57 3.31 0.00 0.00 0.39 -1.58 105.19 105.99 3knz n GLY 113 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3knz n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knz s VAL 114 N -2.65 1.24 -0.09 1.61 -7.23 -1.21 -4.39 120.40 107.68 3knz s VAL 114 Ca 0.18 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 3knz s VAL 114 Cb 0.18 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 35.07 3knz s VAL 114 CO 0.62 -0.54 0.17 0.00 -0.31 0.00 0.00 175.10 175.05 3knz s ALA 115 N -3.29 -0.26 0.44 1.32 0.00 -1.26 -3.83 121.76 114.88 3knz s ALA 115 Ca 0.23 0.67 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 3knz s ALA 115 Cb 0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 23.12 22.33 3knz s ALA 115 CO 0.05 -0.43 0.99 -1.25 0.00 0.00 0.00 175.76 175.12 3knz s PRO 116 N 1.91 4.10 0.21 0.00 0.04 -1.26 -5.08 135.00 134.92 3knz s PRO 116 Ca -0.02 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.38 3knz s PRO 116 Cb -0.12 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3knz s PRO 116 CO -0.06 -0.16 -0.04 0.00 0.04 0.00 0.00 177.00 176.78 3knz s ALA 117 N -2.01 3.09 0.20 8.56 0.00 -1.25 -5.02 121.76 125.34 3knz s ALA 117 Ca 0.63 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 3knz s ALA 117 Cb -0.14 -0.81 0.26 0.00 0.00 0.00 0.00 23.12 22.43 3knz s ALA 117 CO 0.18 0.39 1.73 1.15 0.00 0.00 0.00 175.76 179.21 3knz h THR 118 N 2.35 0.74 0.00 0.00 2.02 -1.38 -1.20 112.91 115.45 3knz h THR 118 Ca -0.46 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3knz h THR 118 Cb 1.22 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3knz h THR 118 CO 0.58 0.06 0.00 2.30 0.37 0.00 0.00 175.52 178.83 3knz n ILE 119 N -5.03 0.97 0.23 3.11 -5.35 -0.87 -2.50 119.36 109.91 3knz n ILE 119 Ca 0.08 0.24 0.09 0.00 -0.27 0.00 0.00 62.75 62.89 3knz n ILE 119 Cb 0.27 -1.03 0.56 0.00 -1.74 0.00 0.00 39.64 37.71 3knz n ILE 119 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3knz h ASP 120 N 0.00 0.00 0.32 7.28 3.32 -1.50 -2.72 116.42 123.12 3knz h ASP 120 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3knz h ASP 120 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3knz h ASP 120 CO 0.00 0.21 0.00 0.03 -1.72 0.00 0.00 179.24 177.76 3knz h ARG 121 N 0.00 0.00 -0.03 3.56 3.08 -1.64 -2.53 114.38 116.82 3knz h ARG 121 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knz h ARG 121 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3knz h ARG 121 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 3knz n ALA 122 N -2.05 2.32 -2.95 0.04 0.00 -1.03 -5.03 120.51 111.82 3knz n ALA 122 Ca -0.02 -2.52 -0.34 0.00 0.00 0.00 0.00 53.44 50.56 3knz n ALA 122 Cb 0.14 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 3knz n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knz s ALA 123 N -2.79 3.10 0.03 0.00 0.00 -0.95 -4.70 121.76 116.45 3knz s ALA 123 Ca 0.32 -0.84 0.15 0.00 0.00 0.00 0.00 51.96 51.59 3knz s ALA 123 Cb 0.27 -1.68 0.30 0.00 0.00 0.00 0.00 23.12 22.01 3knz s ALA 123 CO 0.03 0.13 1.55 -0.44 0.00 0.00 0.00 175.76 177.04 3knz h ASP 124 N 6.86 0.00 -3.03 0.00 3.32 -1.67 -3.43 116.42 118.47 3knz h ASP 124 Ca -0.33 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.38 3knz h ASP 124 Cb 1.18 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.36 3knz h ASP 124 CO 0.64 0.52 -0.67 -0.31 -1.72 0.00 0.00 179.24 177.70 3knz s TYR 125 N -3.22 -0.10 -0.40 4.55 2.02 -1.07 -5.02 117.35 114.10 3knz s TYR 125 Ca 0.02 0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 56.80 3knz s TYR 125 Cb 0.09 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.30 3knz s TYR 125 CO 0.73 -0.35 1.02 0.42 -1.57 0.00 0.00 175.55 175.80 3knz s ILE 126 N 2.26 4.44 -0.49 2.71 1.09 -1.26 -1.63 121.20 128.32 3knz s ILE 126 Ca 0.04 1.26 0.04 0.00 -1.10 0.00 0.00 60.65 60.88 3knz s ILE 126 Cb -0.13 -4.45 0.42 0.00 -1.06 0.00 0.00 42.46 37.24 3knz s ILE 126 CO -0.07 -0.71 1.31 0.18 -0.10 0.00 0.00 174.94 175.55 3knz n LEU 127 N 7.16 5.32 -4.58 2.97 4.77 0.61 -4.86 117.00 128.40 3knz n LEU 127 Ca 0.09 -5.04 -0.48 0.00 -0.03 0.00 0.00 56.01 50.56 3knz n LEU 127 Cb 0.48 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3knz n LEU 127 CO 0.63 2.11 0.65 0.41 -1.33 0.00 0.00 177.39 179.87 3knz n THR 128 N -0.55 1.23 -2.32 -5.08 -1.04 -1.24 -4.70 114.28 100.59 3knz n THR 128 Ca 0.43 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 3knz n THR 128 Cb 0.64 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 68.27 3knz n THR 128 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3knz s VAL 129 N -0.45 4.07 -0.70 12.58 1.01 -0.62 -4.94 120.40 131.36 3knz s VAL 129 Ca 0.69 1.27 -0.26 0.00 0.00 0.00 0.00 61.98 63.68 3knz s VAL 129 Cb -0.81 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 31.64 3knz s VAL 129 CO 0.54 -0.21 1.85 -2.16 0.00 0.00 0.00 175.10 175.13 3knz s PRO 130 N 3.86 2.65 0.07 2.72 0.04 -1.26 -4.67 135.00 138.40 3knz s PRO 130 Ca 0.60 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3knz s PRO 130 Cb -0.23 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.74 3knz s PRO 130 CO 0.20 -2.87 0.00 0.00 0.04 0.00 0.00 177.00 174.37 3knz n GLY 132 N 2.94 0.10 0.00 0.00 0.00 -1.26 -5.17 105.19 101.80 3knz n GLY 132 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3knz n GLY 132 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3knz n GLU 133 N -1.35 0.00 0.00 1.61 -0.00 -1.26 -5.17 120.64 114.47 3knz n GLU 133 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3knz n GLU 133 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 3knz n GLU 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3knz n THR 140 N 0.00 0.00 0.24 3.84 -1.04 -1.26 -5.07 114.28 110.98 3knz n THR 140 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3knz n THR 140 Cb 0.00 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.08 3knz n THR 140 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3knz h LYS 141 N 0.00 0.00 -0.56 -2.82 2.10 -1.99 -3.36 116.57 109.94 3knz h LYS 141 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 3knz h LYS 141 Cb 0.00 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 3knz h LYS 141 CO 0.00 0.20 -0.32 0.41 -2.00 0.00 0.00 179.45 177.74 3knz n GLY 142 N -0.29 -1.44 0.33 0.07 0.00 -1.26 -0.49 105.19 102.12 3knz n GLY 142 Ca -0.01 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 3knz n GLY 142 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3knz h TYR 143 N 0.00 -0.81 -0.09 1.61 3.20 -1.92 -0.17 116.97 118.80 3knz h TYR 143 Ca 0.09 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3knz h TYR 143 Cb 0.23 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3knz h TYR 143 CO -0.57 -0.44 -0.35 0.45 -1.64 0.00 0.00 178.16 175.61 3knz h HIS 144 N -0.65 -0.97 -0.88 -3.82 3.86 -1.04 0.14 115.15 111.79 3knz h HIS 144 Ca -0.02 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 3knz h HIS 144 Cb 0.59 0.44 -0.06 0.00 1.06 0.00 0.00 27.41 29.44 3knz h HIS 144 CO -0.18 -0.43 0.57 0.00 0.86 0.00 0.00 177.93 178.76 3knz h THR 146 N 0.96 1.29 -0.18 0.00 2.02 -0.26 0.21 112.91 116.96 3knz h THR 146 Ca 0.39 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3knz h THR 146 Cb 0.26 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3knz h THR 146 CO -0.15 0.30 0.02 0.58 0.37 0.00 0.00 175.52 176.64 3knz h VAL 147 N 0.02 0.89 -0.61 3.16 2.07 -0.41 -1.18 116.25 120.18 3knz h VAL 147 Ca 0.04 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3knz h VAL 147 Cb 0.49 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3knz h VAL 147 CO 0.02 0.01 0.32 0.25 0.02 0.00 0.00 177.57 178.19 3knz h LEU 148 N 0.08 0.78 -0.24 2.57 5.85 -0.91 -2.67 115.31 120.77 3knz h LEU 148 Ca 0.08 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3knz h LEU 148 Cb 0.09 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3knz h LEU 148 CO -0.13 0.67 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.50 3knz h ASN 149 N 0.84 -0.13 0.00 1.25 -1.24 -0.28 0.11 115.58 116.12 3knz h ASN 149 Ca 0.21 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.28 3knz h ASN 149 Cb 0.08 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3knz h ASN 149 CO -0.03 -0.04 0.00 0.18 -1.29 0.00 0.00 177.43 176.25 3knz n LEU 150 N -5.17 0.00 0.00 0.34 4.77 -0.47 -1.71 117.00 114.76 3knz n LEU 150 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3knz n LEU 150 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3knz n LEU 150 CO 0.24 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.48 3knz n LEU 152 N 0.75 0.00 -0.19 2.23 4.77 0.02 -2.25 117.00 122.33 3knz n LEU 152 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3knz n LEU 152 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3knz n LEU 152 CO 0.00 0.00 0.96 0.25 -1.33 0.00 0.00 177.39 177.27 3knz h LEU 153 N 0.00 0.91 -0.26 2.23 5.85 -1.58 -1.11 115.31 121.36 3knz h LEU 153 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3knz h LEU 153 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3knz h LEU 153 CO 0.00 0.89 0.13 0.00 -0.34 0.00 0.00 178.44 179.11 3knz h ALA 154 N 1.23 0.33 -0.81 1.25 0.00 -1.73 -1.97 119.26 117.54 3knz h ALA 154 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3knz h ALA 154 Cb 0.34 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3knz h ALA 154 CO 0.00 -0.12 0.53 -0.07 0.00 0.00 0.00 179.25 179.60 3knz h LEU 155 N 0.28 0.85 -0.58 0.00 4.07 -1.79 -1.39 115.31 116.76 3knz h LEU 155 Ca 0.09 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 3knz h LEU 155 Cb 0.11 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 3knz h LEU 155 CO -0.01 0.57 0.09 0.00 -1.08 0.00 0.00 178.44 178.01 3knz h ALA 156 N 1.53 0.77 -0.35 1.53 0.00 -0.79 0.20 119.26 122.15 3knz h ALA 156 Ca 0.33 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3knz h ALA 156 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3knz h ALA 156 CO -0.10 0.53 -0.01 0.28 0.00 0.00 0.00 179.25 179.95 3knz h VAL 157 N 0.86 1.26 -0.41 0.00 2.07 -0.98 -0.44 116.25 118.61 3knz h VAL 157 Ca 0.18 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3knz h VAL 157 Cb 0.43 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3knz h VAL 157 CO 0.01 0.33 0.23 0.00 0.02 0.00 0.00 177.57 178.16 3knz h ALA 158 N 0.85 1.64 0.29 1.67 0.00 -1.11 -1.24 119.26 121.36 3knz h ALA 158 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3knz h ALA 158 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3knz h ALA 158 CO 0.02 0.31 -0.14 0.78 0.00 0.00 0.00 179.25 180.22 3knz h GLY 159 N 0.62 -0.40 0.96 0.00 0.00 -0.52 0.74 103.07 104.47 3knz h GLY 159 Ca 0.15 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.70 3knz h GLY 159 CO -0.03 -0.15 0.50 1.46 0.00 0.00 0.00 176.54 178.32 3knz h GLN 160 N -0.81 0.74 -0.29 4.80 1.08 -0.89 -0.20 115.11 119.53 3knz h GLN 160 Ca -0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3knz h GLN 160 Cb 0.51 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3knz h GLN 160 CO 0.06 0.49 0.00 1.04 -0.95 0.00 0.00 178.83 179.47 3knz n GLN 161 N -4.49 1.59 -3.40 1.46 6.02 -0.49 -4.90 117.38 113.17 3knz n GLN 161 Ca 0.12 -0.82 -0.25 0.00 -0.01 0.00 0.00 57.00 56.04 3knz n GLN 161 Cb 0.26 -1.23 0.02 0.00 1.02 0.00 0.00 30.24 30.31 3knz n GLN 161 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3knz n GLN 162 N 0.16 -4.82 -0.40 -1.09 6.02 -0.09 -4.87 117.38 112.30 3knz n GLN 162 Ca 0.08 0.68 0.08 0.00 -0.01 0.00 0.00 57.00 57.82 3knz n GLN 162 Cb 0.23 -5.52 0.24 0.00 1.02 0.00 0.00 30.24 26.21 3knz n GLN 162 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3knz n ARG 163 N -4.18 3.12 -3.28 -1.09 1.74 0.23 -4.86 116.66 108.34 3knz n ARG 163 Ca -0.03 -2.59 -0.05 0.00 -0.77 0.00 0.00 57.85 54.41 3knz n ARG 163 Cb 0.57 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3knz n ARG 163 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3knz s LEU 164 N -2.06 -0.93 0.00 0.55 2.96 -1.05 -4.91 118.68 113.24 3knz s LEU 164 Ca 0.38 0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3knz s LEU 164 Cb 0.27 1.45 0.13 0.00 0.50 0.00 0.00 46.19 48.54 3knz s LEU 164 CO 0.14 -0.30 0.89 -0.90 -1.32 0.00 0.00 176.35 174.86 3knz n ASP 165 N 5.38 0.96 -0.06 3.68 5.75 -1.26 -4.56 116.55 126.44 3knz n ASP 165 Ca -0.01 -1.86 -0.07 0.00 -0.01 0.00 0.00 54.79 52.83 3knz n ASP 165 Cb 0.50 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 3knz n ASP 165 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3knz h GLY 166 N -0.67 0.07 -0.09 6.12 0.00 -2.02 0.35 103.07 106.82 3knz h GLY 166 Ca -0.29 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3knz h GLY 166 CO 0.29 -0.15 -0.53 0.83 0.00 0.00 0.00 176.54 176.98 3knz h GLU 167 N -0.11 -0.58 -0.14 4.80 4.39 -1.99 0.29 114.58 121.25 3knz h GLU 167 Ca 0.14 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.90 3knz h GLU 167 Cb 0.31 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3knz h GLU 167 CO -0.32 -0.39 -0.00 1.96 -1.16 0.00 0.00 179.01 179.10 3knz h GLN 168 N -0.60 0.04 0.02 2.33 4.20 -1.90 0.84 115.11 120.04 3knz h GLN 168 Ca 0.02 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3knz h GLN 168 Cb 0.68 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 3knz h GLN 168 CO -0.40 0.03 -0.53 -0.09 -0.67 0.00 0.00 178.83 177.16 3knz h ARG 169 N 0.04 -0.66 -0.96 1.46 9.65 -0.59 -0.64 114.38 122.69 3knz h ARG 169 Ca 0.06 0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3knz h ARG 169 Cb 0.08 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 3knz h ARG 169 CO -0.11 -0.44 0.59 -0.09 2.80 0.00 0.00 179.97 182.73 3knz h ARG 170 N -0.68 1.30 -0.64 0.20 2.43 -0.25 -1.31 114.38 115.43 3knz h ARG 170 Ca 0.01 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3knz h ARG 170 Cb 0.72 -0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 3knz h ARG 170 CO -0.35 0.89 0.33 1.03 -1.51 0.00 0.00 179.97 180.37 3knz h SER 171 N 1.32 0.46 -0.31 -3.80 0.87 -0.34 0.48 113.55 112.22 3knz h SER 171 Ca 0.35 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.84 3knz h SER 171 Cb -0.08 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3knz h SER 171 CO -0.07 0.29 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.26 3knz h LEU 172 N 0.60 0.79 -0.55 2.23 3.38 -0.42 -1.91 115.31 119.42 3knz h LEU 172 Ca 0.30 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3knz h LEU 172 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3knz h LEU 172 CO -0.21 0.97 -0.58 -0.07 0.09 0.00 0.00 178.44 178.64 3knz h LEU 173 N 0.69 0.51 -1.05 1.67 3.38 -0.32 -2.82 115.31 117.37 3knz h LEU 173 Ca 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3knz h LEU 173 Cb 0.69 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3knz h LEU 173 CO 0.05 0.98 0.44 -0.07 0.09 0.00 0.00 178.44 179.93 3knz h LEU 174 N 0.34 0.99 -1.28 1.67 3.38 0.12 -0.82 115.31 119.70 3knz h LEU 174 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3knz h LEU 174 Cb 1.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3knz h LEU 174 CO 0.10 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.96 3knz n ARG 175 N -4.35 0.33 0.00 1.13 1.74 -0.73 -1.52 116.66 113.25 3knz n ARG 175 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3knz n ARG 175 Cb 0.10 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3knz n ARG 175 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3knz n GLU 177 N 0.48 0.00 -0.17 5.56 2.13 -0.32 -2.43 120.64 125.90 3knz n GLU 177 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 3knz n GLU 177 Cb 0.10 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.86 3knz n GLU 177 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3knz h LYS 178 N 0.00 0.55 -0.48 5.31 3.64 -1.53 0.16 116.57 124.22 3knz h LYS 178 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3knz h LYS 178 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3knz h LYS 178 CO 0.00 0.36 0.28 1.15 -2.27 0.00 0.00 179.45 178.97 3knz h THR 179 N 0.56 1.05 -0.63 1.00 2.02 -1.75 -2.31 112.91 112.86 3knz h THR 179 Ca 0.21 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3knz h THR 179 Cb 0.06 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3knz h THR 179 CO -0.12 0.10 0.24 -0.26 0.37 0.00 0.00 175.52 175.86 3knz h PHE 180 N 0.57 0.96 0.00 3.16 0.04 -1.62 -1.98 116.94 118.06 3knz h PHE 180 Ca 0.19 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3knz h PHE 180 Cb 0.02 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.88 3knz h PHE 180 CO -0.07 0.76 -0.03 -0.91 -0.60 0.00 0.00 178.31 177.46 3knz h ASN 181 N 0.88 0.00 -0.17 2.17 2.35 -0.70 -2.32 115.58 117.78 3knz h ASN 181 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3knz h ASN 181 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3knz h ASN 181 CO -0.02 0.03 0.00 1.41 -1.65 0.00 0.00 177.43 177.20 3knz n HIS 182 N -3.35 0.21 0.09 1.19 8.25 -0.77 -4.35 115.22 116.49 3knz n HIS 182 Ca -0.02 -0.10 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 3knz n HIS 182 Cb 0.15 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.15 3knz n HIS 182 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3knz h LEU 183 N 3.73 0.71 -1.54 2.41 3.38 -1.17 -3.12 115.31 119.71 3knz h LEU 183 Ca 0.00 -0.67 0.06 0.00 0.09 0.00 0.00 57.88 57.36 3knz h LEU 183 Cb 0.81 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3knz h LEU 183 CO 0.00 1.49 0.39 -0.65 0.09 0.00 0.00 178.44 179.76 3knz h PRO 184 N 0.22 0.55 -0.17 1.13 0.11 -1.76 0.20 132.00 132.27 3knz h PRO 184 Ca -0.16 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.74 3knz h PRO 184 Cb 1.88 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.87 3knz h PRO 184 CO 0.22 0.36 -0.61 0.00 -0.21 0.00 0.00 178.00 177.76 3knz h ALA 185 N 1.68 0.61 -0.08 -0.75 0.00 -1.84 -2.82 119.26 116.07 3knz h ALA 185 Ca 0.25 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3knz h ALA 185 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3knz h ALA 185 CO -0.07 0.70 -0.37 1.25 0.00 0.00 0.00 179.25 180.76 3knz h LEU 186 N 0.43 0.17 -0.05 0.00 5.85 -1.03 -1.28 115.31 119.40 3knz h LEU 186 Ca -0.01 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3knz h LEU 186 Cb 1.18 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3knz h LEU 186 CO 0.12 0.53 0.01 0.58 -0.34 0.00 0.00 178.44 179.34 3knz h VAL 187 N 0.14 1.21 -0.16 1.05 2.07 -0.56 0.99 116.25 120.99 3knz h VAL 187 Ca 0.02 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3knz h VAL 187 Cb 0.72 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3knz h VAL 187 CO 0.05 0.17 0.04 0.74 0.02 0.00 0.00 177.57 178.60 3knz h THR 188 N -0.16 0.95 -0.66 2.57 2.02 -1.33 0.13 112.91 116.43 3knz h THR 188 Ca 0.02 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3knz h THR 188 Cb 0.26 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3knz h THR 188 CO 0.00 0.02 0.36 0.00 0.37 0.00 0.00 175.52 176.28 3knz h ALA 189 N 1.10 0.84 -0.67 6.16 0.00 -1.22 -2.49 119.26 122.99 3knz h ALA 189 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3knz h ALA 189 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3knz h ALA 189 CO -0.08 0.36 0.37 0.77 0.00 0.00 0.00 179.25 180.67 3knz h SER 190 N 0.90 0.84 0.18 0.00 0.02 -0.28 -1.64 113.55 113.57 3knz h SER 190 Ca 0.23 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3knz h SER 190 Cb 0.04 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3knz h SER 190 CO -0.04 0.69 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.64 3knz h GLN 191 N 0.92 -0.23 -0.26 3.45 4.15 -0.51 0.42 115.11 123.04 3knz h GLN 191 Ca 0.24 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.71 3knz h GLN 191 Cb 0.04 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3knz h GLN 191 CO -0.04 -0.13 0.02 0.00 -1.93 0.00 0.00 178.83 176.75 3knz h ALA 192 N 0.55 0.25 -0.76 3.38 0.00 -1.38 0.15 119.26 121.45 3knz h ALA 192 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3knz h ALA 192 Cb 0.21 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3knz h ALA 192 CO 0.04 -0.40 0.49 2.35 0.00 0.00 0.00 179.25 181.74 3knz h TRP 193 N 0.11 0.93 -0.32 0.00 7.01 -1.11 0.14 115.95 122.72 3knz h TRP 193 Ca 0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3knz h TRP 193 Cb 0.15 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 3knz h TRP 193 CO -0.19 0.57 0.19 0.00 -2.79 0.00 0.00 178.44 176.22 3knz h ALA 194 N 1.29 0.40 -0.07 2.65 0.00 0.70 -2.39 119.26 121.85 3knz h ALA 194 Ca 0.29 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3knz h ALA 194 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3knz h ALA 194 CO -0.08 -0.10 -0.65 1.96 0.00 0.00 0.00 179.25 180.39 3knz h GLN 195 N 0.41 0.26 -0.58 0.00 4.20 -0.21 -0.48 115.11 118.71 3knz h GLN 195 Ca 0.11 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 3knz h GLN 195 Cb 0.01 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3knz h GLN 195 CO -0.02 0.82 0.16 1.15 -0.67 0.00 0.00 178.83 180.26 3knz h THR 196 N 0.19 1.23 -0.59 -0.54 2.02 -0.65 -2.96 112.91 111.61 3knz h THR 196 Ca -0.01 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.35 3knz h THR 196 Cb 1.18 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3knz h THR 196 CO 0.10 0.31 0.00 0.59 0.37 0.00 0.00 175.52 176.89 3knz n ASN 197 N -4.27 4.12 0.24 4.18 3.02 -0.91 -4.69 115.26 116.95 3knz n ASN 197 Ca 0.04 -2.27 -0.16 0.00 -0.03 0.00 0.00 54.58 52.16 3knz n ASN 197 Cb 0.22 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 3knz n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knz h ALA 198 N 3.60 -0.85 -0.37 5.41 0.00 -0.91 -2.85 119.26 123.29 3knz h ALA 198 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3knz h ALA 198 Cb 1.18 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 3knz h ALA 198 CO 0.12 -1.01 0.06 -0.07 0.00 0.00 0.00 179.25 178.34 3knz h LEU 199 N -0.80 -0.03 -0.51 0.00 3.38 -1.83 -2.25 115.31 113.27 3knz h LEU 199 Ca -0.03 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3knz h LEU 199 Cb 0.72 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3knz h LEU 199 CO -0.07 0.02 0.25 0.00 0.09 0.00 0.00 178.44 178.73 3knz h ALA 200 N 1.29 0.65 -0.26 1.53 0.00 -1.89 -2.21 119.26 118.37 3knz h ALA 200 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3knz h ALA 200 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3knz h ALA 200 CO -0.25 -0.10 -0.25 -0.07 0.00 0.00 0.00 179.25 178.58 3knz h LEU 201 N 0.49 0.50 -0.70 0.00 3.38 -1.24 -2.80 115.31 114.94 3knz h LEU 201 Ca 0.22 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3knz h LEU 201 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3knz h LEU 201 CO -0.16 0.74 -0.49 0.03 0.09 0.00 0.00 178.44 178.65 3knz h ARG 202 N 0.44 0.39 -0.07 1.13 3.08 -1.16 -3.03 114.38 115.16 3knz h ARG 202 Ca 0.06 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3knz h ARG 202 Cb 0.67 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3knz h ARG 202 CO 0.05 0.80 0.00 -0.25 -1.07 0.00 0.00 179.97 179.50 3knz n ASP 203 N -3.97 0.09 -4.87 7.04 8.00 -0.85 -4.79 116.55 117.20 3knz n ASP 203 Ca -0.02 -2.00 -0.35 0.00 0.71 0.00 0.00 54.79 53.13 3knz n ASP 203 Cb 0.55 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 3knz n ASP 203 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3knz s SER 204 N -0.93 6.59 0.10 -2.24 1.04 -1.15 -5.00 113.70 112.11 3knz s SER 204 Ca 0.00 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 56.99 3knz s SER 204 Cb 0.00 -2.15 -0.07 0.00 0.10 0.00 0.00 66.02 63.90 3knz s SER 204 CO 0.00 0.20 1.46 0.00 0.98 0.00 0.00 173.24 175.88 3knz h ALA 205 N 3.79 0.43 -2.77 5.32 0.00 -1.42 -3.47 119.26 121.14 3knz h ALA 205 Ca -0.49 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 53.87 3knz h ALA 205 Cb 1.19 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3knz h ALA 205 CO 0.66 0.34 -0.35 0.16 0.00 0.00 0.00 179.25 180.07 3knz s ASP 206 N -6.36 0.37 -0.04 0.00 1.47 -1.25 -4.48 116.67 106.38 3knz s ASP 206 Ca -0.13 -1.29 0.02 0.00 1.18 0.00 0.00 52.55 52.33 3knz s ASP 206 Cb 0.09 0.53 0.01 0.00 -0.34 0.00 0.00 42.92 43.20 3knz s ASP 206 CO 0.80 -1.06 -0.09 -0.63 0.68 0.00 0.00 175.17 174.88 3knz s ILE 207 N -3.81 0.80 -0.17 2.11 1.01 -0.56 -1.01 121.20 119.58 3knz s ILE 207 Ca 0.32 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3knz s ILE 207 Cb 0.02 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.78 3knz s ILE 207 CO 0.14 0.26 -0.19 -0.13 0.00 0.00 0.00 174.94 175.02 3knz s ARG 208 N 0.39 3.07 -0.11 2.79 1.81 0.80 -1.84 118.95 125.85 3knz s ARG 208 Ca -0.06 -0.81 -0.06 0.00 -1.72 0.00 0.00 55.73 53.08 3knz s ARG 208 Cb -0.11 -2.57 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 3knz s ARG 208 CO 0.01 -0.11 0.12 -0.51 -0.68 0.00 0.00 175.30 174.13 3knz s LEU 209 N 1.07 4.26 0.08 2.53 1.43 0.13 -1.16 118.68 127.01 3knz s LEU 209 Ca -0.01 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3knz s LEU 209 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3knz s LEU 209 CO -0.06 0.39 0.13 0.28 0.23 0.00 0.00 176.35 177.32 3knz s THR 210 N -1.03 0.16 0.08 5.49 -1.32 -0.39 -0.22 115.64 118.42 3knz s THR 210 Ca 0.16 -1.33 -0.26 0.00 -1.21 0.00 0.00 61.69 59.05 3knz s THR 210 Cb -0.12 -1.36 0.09 0.00 -1.51 0.00 0.00 72.50 69.60 3knz s THR 210 CO 0.05 -0.73 1.15 -0.83 -2.21 0.00 0.00 174.62 172.05 3knz s GLY 211 N -2.83 -0.09 0.65 6.08 0.00 -1.09 -0.95 107.32 109.08 3knz s GLY 211 Ca 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 3knz s GLY 211 CO -0.10 2.78 1.09 2.56 0.00 0.00 0.00 173.10 179.43 3knz s PRO 212 N -2.28 2.93 0.46 2.90 0.04 -1.26 -0.26 135.00 137.52 3knz s PRO 212 Ca 0.22 1.32 0.25 0.00 0.04 0.00 0.00 61.00 62.83 3knz s PRO 212 Cb -0.00 -1.97 1.28 0.00 0.04 0.00 0.00 34.50 33.84 3knz s PRO 212 CO 0.01 -1.14 1.81 0.00 0.04 0.00 0.00 177.00 177.73 3knz h ALA 213 N 0.09 2.55 0.00 8.56 0.00 -1.95 0.20 119.26 128.71 3knz h ALA 213 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3knz h ALA 213 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3knz h ALA 213 CO 0.55 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3knz h THR 214 N 0.23 0.00 0.00 0.00 1.03 -2.02 -2.10 112.91 110.05 3knz h THR 214 Ca 0.54 -0.01 -0.05 0.00 -0.01 0.00 0.00 66.41 66.89 3knz h THR 214 Cb 1.68 0.62 -0.10 0.00 -1.07 0.00 0.00 68.15 69.28 3knz h THR 214 CO -0.16 0.00 -0.60 0.18 -0.01 0.00 0.00 175.52 174.93 3knz n LEU 215 N -2.46 2.15 -0.27 0.00 4.77 0.70 -4.84 117.00 117.06 3knz n LEU 215 Ca -0.02 -3.25 -0.00 0.00 -0.03 0.00 0.00 56.01 52.71 3knz n LEU 215 Cb 0.05 -0.37 0.20 0.00 -2.33 0.00 0.00 43.42 40.97 3knz n LEU 215 CO 0.12 1.08 1.25 0.15 -1.33 0.00 0.00 177.39 178.66 3knz h PHE 216 N 0.88 1.05 -0.19 -1.77 3.57 -1.36 -1.78 116.94 117.34 3knz h PHE 216 Ca -0.06 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3knz h PHE 216 Cb 1.24 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3knz h PHE 216 CO 0.52 0.67 -0.18 0.78 -2.23 0.00 0.00 178.31 177.88 3knz h GLY 217 N 1.13 0.34 0.80 2.40 0.00 -1.85 -1.44 103.07 104.45 3knz h GLY 217 Ca 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3knz h GLY 217 CO -0.06 0.22 0.02 -0.84 0.00 0.00 0.00 176.54 175.87 3knz h THR 218 N 0.29 1.23 -0.25 4.70 2.02 -1.67 -0.97 112.91 118.26 3knz h THR 218 Ca 0.05 -0.76 -0.13 0.00 0.77 0.00 0.00 66.41 66.35 3knz h THR 218 Cb 0.49 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3knz h THR 218 CO 0.03 0.22 -0.39 -0.37 0.37 0.00 0.00 175.52 175.39 3knz h VAL 219 N 0.02 1.29 -0.12 3.16 -1.51 -1.28 0.19 116.25 117.99 3knz h VAL 219 Ca 0.04 -1.54 -0.02 0.00 -1.23 0.00 0.00 66.70 63.95 3knz h VAL 219 Cb 0.33 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 3knz h VAL 219 CO 0.00 0.49 -0.00 1.56 -1.23 0.00 0.00 177.57 178.39 3knz h GLN 220 N 0.49 0.22 -0.31 5.19 1.08 -1.22 0.44 115.11 121.00 3knz h GLN 220 Ca 0.05 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3knz h GLN 220 Cb 0.89 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3knz h GLN 220 CO 0.08 0.47 0.11 1.49 -0.95 0.00 0.00 178.83 180.03 3knz h GLU 221 N -0.05 0.47 -0.94 1.46 4.57 -1.09 -1.00 114.58 118.00 3knz h GLU 221 Ca 0.03 -0.09 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3knz h GLU 221 Cb 0.37 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 3knz h GLU 221 CO 0.01 0.50 0.61 0.78 -1.18 0.00 0.00 179.01 179.72 3knz h GLY 222 N 0.35 1.42 1.55 1.92 0.00 -0.56 -1.51 103.07 106.24 3knz h GLY 222 Ca 0.10 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 3knz h GLY 222 CO -0.01 0.21 -0.62 0.00 0.00 0.00 0.00 176.54 176.12 3knz h ALA 223 N 1.53 0.68 0.07 3.60 0.00 -0.44 -3.26 119.26 121.44 3knz h ALA 223 Ca 0.44 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3knz h ALA 223 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3knz h ALA 223 CO -0.20 0.72 -0.03 1.25 0.00 0.00 0.00 179.25 180.98 3knz h LEU 224 N 0.33 -0.08 -1.63 0.00 5.85 -0.48 -0.97 115.31 118.34 3knz h LEU 224 Ca -0.01 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3knz h LEU 224 Cb 1.17 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3knz h LEU 224 CO 0.11 0.22 0.00 0.29 -0.34 0.00 0.00 178.44 178.72 3knz n LYS 225 N -5.00 0.22 0.00 1.25 4.76 -0.64 -1.07 118.16 117.69 3knz n LYS 225 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3knz n LYS 225 Cb 0.18 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3knz n LYS 225 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3knz n LEU 227 N 0.70 0.00 0.24 -0.35 7.94 -0.37 -1.04 117.00 124.13 3knz n LEU 227 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3knz n LEU 227 Cb 0.09 0.00 0.57 0.00 0.53 0.00 0.00 43.42 44.61 3knz n LEU 227 CO 0.00 0.00 0.87 -0.08 -1.11 0.00 0.00 177.39 177.07 3knz h GLU 228 N 0.00 0.00 0.00 1.96 4.81 -1.34 -3.19 114.58 116.82 3knz h GLU 228 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3knz h GLU 228 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3knz h GLU 228 CO 0.00 0.19 -1.55 2.41 -0.73 0.00 0.00 179.01 179.33 3knz n THR 229 N -3.48 0.55 1.67 0.32 -1.04 -0.20 -4.66 114.28 107.45 3knz n THR 229 Ca -0.01 -0.21 0.15 0.00 -2.04 0.00 0.00 64.05 61.95 3knz n THR 229 Cb 0.36 -0.86 0.78 0.00 -1.82 0.00 0.00 70.33 68.79 3knz n THR 229 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3knz n LEU 230 N -2.80 0.26 -3.24 -4.42 4.77 -1.26 -4.89 117.00 105.42 3knz n LEU 230 Ca -0.17 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 3knz n LEU 230 Cb 0.68 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3knz n LEU 230 CO 0.09 0.05 -0.04 -2.11 -1.33 0.00 0.00 177.39 174.05 3knz n ARG 231 N -0.94 -3.60 -3.73 3.23 -4.01 -1.20 -4.95 116.66 101.46 3knz n ARG 231 Ca 0.19 0.56 -0.10 0.00 -1.04 0.00 0.00 57.85 57.46 3knz n ARG 231 Cb 0.21 -5.29 -0.05 0.00 -3.04 0.00 0.00 32.46 24.28 3knz n ARG 231 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3knz n PRO 233 N -0.18 2.73 -4.09 0.00 -0.02 -1.26 -4.50 135.00 127.68 3knz n PRO 233 Ca -0.15 0.99 -0.15 0.00 -2.02 0.00 0.00 63.50 62.18 3knz n PRO 233 Cb 0.63 -2.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 3knz n PRO 233 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3knz s VAL 234 N 2.38 0.33 -0.10 -1.45 1.01 -1.26 -1.49 120.40 119.81 3knz s VAL 234 Ca 0.81 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 3knz s VAL 234 Cb -0.51 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 35.62 3knz s VAL 234 CO 0.37 0.05 0.26 -0.44 0.00 0.00 0.00 175.10 175.34 3knz s SER 235 N -0.21 -0.28 -0.00 3.32 0.01 -0.77 -4.85 113.70 110.92 3knz s SER 235 Ca 0.01 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.81 3knz s SER 235 Cb -0.02 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 3knz s SER 235 CO -0.00 -0.13 0.05 -0.83 0.41 0.00 0.00 173.24 172.74 3knz s GLY 236 N 0.68 1.96 0.04 3.44 0.00 -1.26 0.20 107.32 112.38 3knz s GLY 236 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 3knz s GLY 236 CO -0.04 -0.77 0.03 -0.19 0.00 0.00 0.00 173.10 172.13 3knz s TYR 237 N -1.15 0.30 0.32 1.90 1.51 0.70 -4.88 117.35 116.06 3knz s TYR 237 Ca 0.21 -0.67 -0.27 0.00 -1.01 0.00 0.00 57.07 55.34 3knz s TYR 237 Cb -0.12 -0.22 -0.09 0.00 -0.11 0.00 0.00 41.96 41.42 3knz s TYR 237 CO 0.12 -0.33 1.00 -2.00 -1.11 0.00 0.00 175.55 173.23 3knz s GLU 238 N -2.72 4.54 0.15 -0.62 -6.30 -1.26 -2.69 118.70 109.80 3knz s GLU 238 Ca -0.04 1.49 -0.28 0.00 -2.50 0.00 0.00 54.97 53.64 3knz s GLU 238 Cb -0.01 -2.90 -0.02 0.00 0.00 0.00 0.00 34.13 31.20 3knz s GLU 238 CO -0.05 0.21 1.57 0.35 0.02 0.00 0.00 175.26 177.36 3knz h PHE 239 N 3.30 -1.27 -0.35 5.30 3.57 -0.95 -1.37 116.94 125.18 3knz h PHE 239 Ca -0.47 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3knz h PHE 239 Cb 1.20 0.60 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 3knz h PHE 239 CO 0.60 -0.45 0.09 0.93 -2.23 0.00 0.00 178.31 177.25 3knz h GLU 240 N -0.38 0.50 -0.60 1.11 4.39 -1.94 -1.67 114.58 115.99 3knz h GLU 240 Ca 0.12 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3knz h GLU 240 Cb 0.60 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 3knz h GLU 240 CO -0.53 0.46 0.10 1.49 -1.16 0.00 0.00 179.01 179.37 3knz h GLU 241 N 0.49 0.97 -0.46 2.33 4.57 -1.82 -1.15 114.58 119.51 3knz h GLU 241 Ca 0.12 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3knz h GLU 241 Cb 0.18 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3knz h GLU 241 CO -0.01 0.90 0.22 0.35 -1.18 0.00 0.00 179.01 179.29 3knz h PHE 242 N 0.92 0.66 0.29 0.92 3.57 -0.40 -2.41 116.94 120.49 3knz h PHE 242 Ca 0.19 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3knz h PHE 242 Cb 0.40 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3knz h PHE 242 CO 0.03 0.54 -0.14 0.82 -2.23 0.00 0.00 178.31 177.32 3knz h ILE 243 N 0.59 0.73 -0.96 1.41 1.08 -1.04 -1.33 117.51 117.99 3knz h ILE 243 Ca 0.16 -0.09 0.18 0.00 -0.39 0.00 0.00 64.86 64.72 3knz h ILE 243 Cb 0.13 0.78 -0.09 0.00 -3.07 0.00 0.00 36.82 34.57 3knz h ILE 243 CO -0.02 0.02 0.61 -0.74 -0.69 0.00 0.00 178.15 177.33 3knz h HIS 244 N -0.43 0.88 -0.44 1.37 2.76 -1.13 -2.24 115.15 115.91 3knz h HIS 244 Ca -0.04 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.92 3knz h HIS 244 Cb 0.33 -0.27 -0.14 0.00 1.55 0.00 0.00 27.41 28.88 3knz h HIS 244 CO -0.04 0.24 -0.01 0.41 -1.30 0.00 0.00 177.93 177.23 3knz n GLY 245 N -1.41 4.92 0.38 5.26 0.00 -0.92 -4.79 105.19 108.63 3knz n GLY 245 Ca 0.21 -1.26 0.20 0.00 0.00 0.00 0.00 46.02 45.16 3knz n GLY 245 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3knz h ILE 246 N 1.02 0.57 0.00 -0.61 6.09 -0.60 -1.46 117.51 122.52 3knz h ILE 246 Ca 0.28 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 63.65 3knz h ILE 246 Cb 1.78 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 39.78 3knz h ILE 246 CO 0.50 0.00 -0.79 1.88 -3.07 0.00 0.00 178.15 176.67 3knz h TYR 247 N 0.00 0.00 0.10 2.19 0.05 -1.86 -2.99 116.97 114.46 3knz h TYR 247 Ca 0.21 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.68 3knz h TYR 247 Cb 0.95 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.68 3knz h TYR 247 CO 0.00 0.52 -1.66 -0.91 -1.05 0.00 0.00 178.16 175.06 3knz h ASN 248 N 0.00 0.32 -0.26 3.88 2.35 -1.83 -3.39 115.58 116.64 3knz h ASN 248 Ca -0.05 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 3knz h ASN 248 Cb 1.44 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.71 3knz h ASN 248 CO 0.06 1.71 0.00 0.00 -1.65 0.00 0.00 177.43 177.55 3knz n ALA 249 N -3.09 2.67 -3.57 -0.83 0.00 -0.60 -4.90 120.51 110.19 3knz n ALA 249 Ca -0.30 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 3knz n ALA 249 Cb 0.92 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 3knz n ALA 249 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3knz s PHE 250 N -1.64 -0.59 0.00 0.00 2.19 -1.13 -4.94 117.98 111.87 3knz s PHE 250 Ca 0.20 1.20 0.00 0.00 0.33 0.00 0.00 56.93 58.65 3knz s PHE 250 Cb 0.12 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.21 3knz s PHE 250 CO 0.10 -0.44 0.00 0.27 1.83 0.00 0.00 175.22 176.98 3knz n ASN 251 N 1.45 0.00 0.26 6.13 0.23 -1.26 -4.69 115.26 117.38 3knz n ASN 251 Ca -0.15 -0.99 0.16 0.00 -0.53 0.00 0.00 54.58 53.06 3knz n ASN 251 Cb 0.57 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.85 3knz n ASN 251 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3knz h ALA 252 N 1.33 1.00 -0.26 -2.53 0.00 -2.01 -3.09 119.26 113.69 3knz h ALA 252 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3knz h ALA 252 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3knz h ALA 252 CO 0.00 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.33 3knz n GLN 253 N -3.13 2.81 -2.75 0.00 6.02 -1.26 -5.00 117.38 114.07 3knz n GLN 253 Ca 0.01 -2.54 -0.28 0.00 -0.01 0.00 0.00 57.00 54.18 3knz n GLN 253 Cb 0.35 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 3knz n GLN 253 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3knz s SER 254 N -1.68 6.35 -0.13 1.08 0.01 -1.17 -1.10 113.70 117.06 3knz s SER 254 Ca 0.34 0.98 0.01 0.00 1.31 0.00 0.00 55.95 58.59 3knz s SER 254 Cb 0.26 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 64.22 3knz s SER 254 CO 0.10 -0.50 -0.18 0.00 0.41 0.00 0.00 173.24 173.08 3knz s ALA 255 N -2.59 2.41 -0.21 1.44 0.00 -0.18 -4.78 121.76 117.85 3knz s ALA 255 Ca 0.48 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 3knz s ALA 255 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 3knz s ALA 255 CO 0.40 0.10 0.06 -1.17 0.00 0.00 0.00 175.76 175.15 3knz s LEU 256 N 0.61 3.64 0.41 0.00 2.96 -0.26 -0.14 118.68 125.89 3knz s LEU 256 Ca -0.10 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3knz s LEU 256 Cb -0.16 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 3knz s LEU 256 CO 0.03 0.08 0.16 -0.63 -1.32 0.00 0.00 176.35 174.68 3knz s ILE 257 N 0.91 2.34 -0.14 6.68 1.01 -0.31 -0.15 121.20 131.54 3knz s ILE 257 Ca 0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 60.65 58.91 3knz s ILE 257 Cb -0.14 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.41 3knz s ILE 257 CO 0.03 -0.02 0.28 -0.76 0.00 0.00 0.00 174.94 174.47 3knz s LEU 259 N -3.88 -0.32 -0.62 2.97 1.43 -0.13 -1.27 118.68 116.86 3knz s LEU 259 Ca 0.40 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 3knz s LEU 259 Cb 0.04 0.78 0.24 0.00 0.03 0.00 0.00 46.19 47.28 3knz s LEU 259 CO 0.22 -0.24 0.70 0.47 0.23 0.00 0.00 176.35 177.74 3knz n ASP 260 N 5.32 3.30 0.28 2.29 9.92 0.82 -4.36 116.55 134.13 3knz n ASP 260 Ca -0.07 -3.34 0.12 0.00 -0.53 0.00 0.00 54.79 50.97 3knz n ASP 260 Cb 0.50 -0.67 0.79 0.00 -0.64 0.00 0.00 41.12 41.10 3knz n ASP 260 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3knz h PRO 261 N 4.27 0.00 -3.79 -0.24 0.13 -1.97 -3.37 132.00 127.03 3knz h PRO 261 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 3knz h PRO 261 Cb 0.69 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.69 3knz h PRO 261 CO 0.79 0.00 -0.35 1.14 -0.23 0.00 0.00 178.00 179.35 3knz s GLN 262 N -4.83 0.88 0.17 0.86 -2.07 -1.26 -4.58 119.66 108.83 3knz s GLN 262 Ca -0.05 -0.96 -0.32 0.00 -1.82 0.00 0.00 55.36 52.22 3knz s GLN 262 Cb 0.16 0.35 -0.11 0.00 -1.09 0.00 0.00 33.01 32.32 3knz s GLN 262 CO 0.60 -0.29 1.74 -2.14 -1.32 0.00 0.00 175.29 173.88 3knz s PRO 263 N -3.86 4.14 -0.08 9.60 0.02 -1.26 -4.99 135.00 138.57 3knz s PRO 263 Ca 0.06 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 3knz s PRO 263 Cb 0.05 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.30 3knz s PRO 263 CO -0.10 -0.77 -0.02 0.34 -0.33 0.00 0.00 177.00 176.12 3knz s ASP 264 N 1.77 1.65 0.15 2.53 -1.08 -1.26 -5.05 116.67 115.39 3knz s ASP 264 Ca 0.76 -0.14 -0.17 0.00 -0.52 0.00 0.00 52.55 52.48 3knz s ASP 264 Cb -0.47 -0.53 -0.01 0.00 -1.46 0.00 0.00 42.92 40.45 3knz s ASP 264 CO 0.33 -0.16 1.80 0.00 0.52 0.00 0.00 175.17 177.67 3knz h ALA 265 N 8.16 0.44 -0.58 3.66 0.00 -1.99 -0.80 119.26 128.15 3knz h ALA 265 Ca -0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3knz h ALA 265 Cb 1.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3knz h ALA 265 CO 0.32 -0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.70 3knz h ARG 266 N 0.47 0.87 -0.64 0.00 3.08 -1.98 -0.30 114.38 115.89 3knz h ARG 266 Ca 0.13 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3knz h ARG 266 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3knz h ARG 266 CO -0.03 0.75 0.10 1.96 -1.07 0.00 0.00 179.97 181.68 3knz h GLN 267 N 0.80 1.05 -0.46 0.04 4.20 -1.93 -1.61 115.11 117.21 3knz h GLN 267 Ca 0.19 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3knz h GLN 267 Cb 0.21 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3knz h GLN 267 CO -0.02 0.98 0.27 -0.44 -0.67 0.00 0.00 178.83 178.95 3knz h ASP 268 N 0.97 0.56 -0.45 1.46 3.32 -0.94 -1.69 116.42 119.65 3knz h ASP 268 Ca 0.19 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3knz h ASP 268 Cb 0.44 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3knz h ASP 268 CO 0.01 0.46 0.30 -0.09 -1.72 0.00 0.00 179.24 178.20 3knz h ARG 269 N 0.60 0.54 -0.02 3.56 9.65 -0.65 -0.30 114.38 127.77 3knz h ARG 269 Ca 0.16 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 3knz h ARG 269 Cb 0.01 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 3knz h ARG 269 CO -0.03 0.36 -0.04 1.25 2.80 0.00 0.00 179.97 184.31 3knz h LEU 270 N 0.56 0.07 -1.70 3.80 5.85 -0.86 -2.51 115.31 120.52 3knz h LEU 270 Ca 0.17 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3knz h LEU 270 Cb 0.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3knz h LEU 270 CO -0.04 0.63 0.28 0.00 -0.34 0.00 0.00 178.44 178.97 3knz h ALA 271 N 0.44 1.91 0.06 1.25 0.00 -0.85 0.35 119.26 122.42 3knz h ALA 271 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3knz h ALA 271 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3knz h ALA 271 CO 0.01 0.03 -0.03 0.37 0.00 0.00 0.00 179.25 179.62 3knz h GLN 272 N 0.38 -0.08 -0.16 0.00 4.15 -1.07 -2.08 115.11 116.24 3knz h GLN 272 Ca 0.18 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 3knz h GLN 272 Cb 0.22 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3knz h GLN 272 CO -0.04 0.40 -0.38 0.82 -1.93 0.00 0.00 178.83 177.71 3knz h ILE 273 N -0.62 1.35 0.00 2.39 2.04 -1.12 -2.86 117.51 118.69 3knz h ILE 273 Ca -0.01 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.21 3knz h ILE 273 Cb 0.53 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3knz h ILE 273 CO 0.01 0.50 0.00 0.25 0.00 0.00 0.00 178.15 178.91 3knz h LEU 274 N 0.17 0.00 -0.66 1.44 5.85 -0.42 -1.59 115.31 120.10 3knz h LEU 274 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3knz h LEU 274 Cb 0.98 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3knz h LEU 274 CO 0.08 0.00 -0.26 1.23 -0.34 0.00 0.00 178.44 179.16 3knz h GLY 275 N 1.42 0.00 1.68 3.75 0.00 -1.13 -1.61 103.07 107.18 3knz h GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knz h GLY 275 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3knz n GLU 276 N -3.28 0.31 -0.03 4.80 1.02 -0.60 -3.76 120.64 119.10 3knz n GLU 276 Ca 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 3knz n GLU 276 Cb 0.52 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 3knz n GLU 276 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3knz n TRP 277 N -1.34 0.00 -3.80 -0.32 7.02 -1.08 -5.06 117.44 112.86 3knz n TRP 277 Ca 0.12 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.48 3knz n TRP 277 Cb 0.26 -0.28 -0.10 0.00 -2.42 0.00 0.00 31.31 28.77 3knz n TRP 277 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3knz s THR 278 N -2.14 0.05 -2.08 -0.99 -1.32 -0.63 -5.03 115.64 103.50 3knz s THR 278 Ca -0.03 -0.42 0.26 0.00 -1.21 0.00 0.00 61.69 60.28 3knz s THR 278 Cb 0.02 -0.50 0.25 0.00 -1.51 0.00 0.00 72.50 70.76 3knz s THR 278 CO 0.23 -0.23 1.45 -0.81 -2.21 0.00 0.00 174.62 173.05 3knz n PRO 279 N 1.75 1.23 -1.28 7.08 -0.04 -1.26 -4.16 135.00 138.32 3knz n PRO 279 Ca -0.20 -0.84 -0.22 0.00 -0.04 0.00 0.00 63.50 62.20 3knz n PRO 279 Cb 0.56 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 3knz n PRO 279 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3knz n SER 280 N -0.15 6.30 -4.34 3.54 7.64 -1.26 -4.86 113.62 120.49 3knz n SER 280 Ca 0.13 -2.78 -0.33 0.00 1.01 0.00 0.00 58.87 56.90 3knz n SER 280 Cb 0.40 -1.37 -0.15 0.00 -1.01 0.00 0.00 64.21 62.08 3knz n SER 280 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3knz s ILE 281 N -0.06 2.96 -0.19 0.44 1.01 -1.26 -1.11 121.20 123.00 3knz s ILE 281 Ca 0.64 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 3knz s ILE 281 Cb 0.31 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.58 3knz s ILE 281 CO -0.09 0.51 -0.04 -0.31 0.00 0.00 0.00 174.94 175.02 3knz s TYR 282 N 0.55 1.79 0.03 3.97 1.51 0.79 -4.74 117.35 121.25 3knz s TYR 282 Ca -0.08 -1.23 0.01 0.00 -1.01 0.00 0.00 57.07 54.75 3knz s TYR 282 Cb -0.16 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3knz s TYR 282 CO 0.04 -0.66 0.08 1.03 -1.11 0.00 0.00 175.55 174.93 3knz s ARG 283 N 1.60 3.01 -0.12 -0.62 0.52 -1.26 -4.10 118.95 117.98 3knz s ARG 283 Ca -0.01 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 3knz s ARG 283 Cb -0.17 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.51 3knz s ARG 283 CO -0.07 0.62 -0.15 0.42 0.02 0.00 0.00 175.30 176.14 3knz s ILE 284 N -1.26 1.53 0.00 1.52 1.01 -1.26 0.52 121.20 123.25 3knz s ILE 284 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3knz s ILE 284 Cb -0.12 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3knz s ILE 284 CO 0.17 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3knz n GLY 285 N 4.40 1.03 0.19 6.18 0.00 -0.78 -0.12 105.19 116.08 3knz n GLY 285 Ca -0.18 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 44.93 3knz n GLY 285 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3knz h PRO 286 N 0.00 0.00 0.00 1.61 0.13 -1.71 -2.77 132.00 129.26 3knz h PRO 286 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3knz h PRO 286 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3knz h PRO 286 CO 0.00 0.36 -0.08 1.04 -0.23 0.00 0.00 178.00 179.08 3knz n GLN 287 N -3.55 1.31 -1.66 0.86 6.02 -1.26 -4.49 117.38 114.61 3knz n GLN 287 Ca -0.00 -2.04 -0.32 0.00 -0.01 0.00 0.00 57.00 54.62 3knz n GLN 287 Cb 0.49 -1.21 0.05 0.00 1.02 0.00 0.00 30.24 30.59 3knz n GLN 287 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3knz s VAL 288 N -1.96 3.58 0.23 5.09 -7.23 -1.25 -4.94 120.40 113.92 3knz s VAL 288 Ca 0.20 0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 60.69 3knz s VAL 288 Cb 0.17 -3.19 -0.15 0.00 0.56 0.00 0.00 36.38 33.77 3knz s VAL 288 CO 0.02 -0.56 1.08 1.21 -0.31 0.00 0.00 175.10 176.54 3knz n GLU 289 N -2.76 1.23 -1.00 4.82 4.07 -1.26 -4.79 120.64 120.96 3knz n GLU 289 Ca 0.09 0.44 -0.16 0.00 -0.06 0.00 0.00 57.16 57.47 3knz n GLU 289 Cb 0.53 -1.86 -0.03 0.00 -0.06 0.00 0.00 31.44 30.02 3knz n GLU 289 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3knz n ASN 290 N 1.66 6.09 -3.87 4.31 5.15 -1.26 -4.62 115.26 122.73 3knz n ASN 290 Ca 0.13 -2.90 -0.30 0.00 -0.60 0.00 0.00 54.58 50.90 3knz n ASN 290 Cb 0.28 -1.17 0.22 0.00 -0.53 0.00 0.00 39.78 38.58 3knz n ASN 290 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3knz s ASN 291 N 0.81 2.16 0.23 1.20 2.20 -1.26 -4.97 114.94 115.32 3knz s ASN 291 Ca 0.39 0.27 -0.00 0.00 -0.94 0.00 0.00 52.86 52.57 3knz s ASN 291 Cb 0.25 -0.28 0.23 0.00 -2.00 0.00 0.00 41.25 39.46 3knz s ASN 291 CO -0.06 -3.32 1.59 1.23 -2.94 0.00 0.00 177.10 173.60 3knz h GLY 292 N -2.05 0.54 1.75 0.45 0.00 -2.02 -3.28 103.07 98.47 3knz h GLY 292 Ca -0.44 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.23 3knz h GLY 292 CO 0.31 0.50 -0.39 1.41 0.00 0.00 0.00 176.54 178.38 3knz h LEU 293 N 0.40 0.30-10.32 3.11 3.38 -1.93 -3.45 115.31 106.80 3knz h LEU 293 Ca 0.03 -0.12 -0.50 0.00 0.09 0.00 0.00 57.88 57.38 3knz h LEU 293 Cb 0.93 -0.08 0.04 0.00 0.09 0.00 0.00 40.66 41.64 3knz h LEU 293 CO 0.08 0.67 0.22 0.20 0.09 0.00 0.00 178.44 179.69 3knz s ASN 294 N -6.87 6.26 -0.77 -0.43 0.01 -1.24 -4.29 114.94 107.61 3knz s ASN 294 Ca -0.05 1.10 -0.06 0.00 -0.71 0.00 0.00 52.86 53.14 3knz s ASN 294 Cb 0.13 -2.33 0.20 0.00 0.41 0.00 0.00 41.25 39.66 3knz s ASN 294 CO 0.78 -0.68 0.64 -0.22 -1.51 0.00 0.00 177.10 176.11 3knz s LEU 295 N -4.88 5.83 -0.25 0.60 2.96 0.19 -4.83 118.68 118.30 3knz s LEU 295 Ca 0.50 -3.01 -0.24 0.00 -0.22 0.00 0.00 54.13 51.15 3knz s LEU 295 Cb -0.11 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 3knz s LEU 295 CO 0.48 -0.39 0.83 0.21 -1.32 0.00 0.00 176.35 176.15 3knz s ASN 296 N 1.02 6.82 -0.16 3.68 3.84 -1.26 -1.87 114.94 127.01 3knz s ASN 296 Ca 0.20 1.01 -0.17 0.00 0.21 0.00 0.00 52.86 54.11 3knz s ASN 296 Cb -0.14 -2.43 0.04 0.00 -0.55 0.00 0.00 41.25 38.17 3knz s ASN 296 CO -0.07 -0.52 0.46 0.12 -2.79 0.00 0.00 177.10 174.30 3knz s PHE 297 N 2.85 -0.49 -1.22 0.43 5.36 -1.05 -5.01 117.98 118.86 3knz s PHE 297 Ca 0.35 1.17 -0.15 0.00 -0.96 0.00 0.00 56.93 57.34 3knz s PHE 297 Cb -0.15 0.18 -0.05 0.00 -0.34 0.00 0.00 43.02 42.66 3knz s PHE 297 CO 0.08 -0.27 2.25 -0.35 -1.46 0.00 0.00 175.22 175.46 3knz n PRO 298 N 2.64 2.50 -1.65 10.12 -0.04 -1.26 -3.20 135.00 144.12 3knz n PRO 298 Ca -0.14 -2.17 -0.41 0.00 -0.04 0.00 0.00 63.50 60.74 3knz n PRO 298 Cb 0.57 -3.00 0.02 0.00 -0.04 0.00 0.00 33.50 31.05 3knz n PRO 298 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3knz n PHE 299 N 5.85 1.52 0.14 0.54 3.72 -1.26 -4.86 117.46 123.11 3knz n PHE 299 Ca 0.55 0.53 0.05 0.00 -0.05 0.00 0.00 57.45 58.52 3knz n PHE 299 Cb 0.34 -2.28 0.50 0.00 -0.94 0.00 0.00 39.48 37.09 3knz n PHE 299 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3knz h VAL 300 N 1.65 1.09 -6.03 -4.37 2.07 -1.94 -3.46 116.25 105.26 3knz h VAL 300 Ca -0.46 -0.30 -0.45 0.00 0.82 0.00 0.00 66.70 66.30 3knz h VAL 300 Cb 1.32 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3knz h VAL 300 CO 0.57 0.11 -0.72 0.59 0.02 0.00 0.00 177.57 178.14 3knz n ASN 301 N -4.44 -5.04 -4.70 0.57 4.13 -1.26 -4.92 115.26 99.61 3knz n ASN 301 Ca -0.00 -0.67 -0.42 0.00 1.68 0.00 0.00 54.58 55.16 3knz n ASN 301 Cb 0.13 -4.02 -0.03 0.00 -1.54 0.00 0.00 39.78 34.32 3knz n ASN 301 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3knz s ASP 302 N -3.20 6.67 0.50 6.41 -1.08 -1.26 -4.86 116.67 119.86 3knz s ASP 302 Ca 0.61 2.42 0.33 0.00 -0.52 0.00 0.00 52.55 55.39 3knz s ASP 302 Cb -0.30 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.04 3knz s ASP 302 CO 0.75 -0.81 1.77 1.05 0.52 0.00 0.00 175.17 178.45 3knz h GLU 303 N 7.72 0.10 0.00 4.34 9.09 -2.01 -0.06 114.58 133.75 3knz h GLU 303 Ca -0.42 -0.01 -0.34 0.00 0.05 0.00 0.00 59.36 58.65 3knz h GLU 303 Cb 1.20 -0.02 -0.06 0.00 -1.65 0.00 0.00 28.75 28.22 3knz h GLU 303 CO 0.91 0.06 -2.29 -0.25 0.05 0.00 0.00 179.01 177.49 3knz n ASP 304 N -4.31 2.16 -1.19 3.06 8.00 -1.26 -4.68 116.55 118.32 3knz n ASP 304 Ca 0.27 -0.12 0.10 0.00 0.71 0.00 0.00 54.79 55.76 3knz n ASP 304 Cb 1.22 -0.30 0.28 0.00 -0.02 0.00 0.00 41.12 42.30 3knz n ASP 304 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3knz n PHE 305 N -3.14 0.91 0.32 1.24 3.72 -1.03 -4.21 117.46 115.27 3knz n PHE 305 Ca -0.40 -0.52 0.13 0.00 -0.05 0.00 0.00 57.45 56.62 3knz n PHE 305 Cb 0.94 -0.04 0.61 0.00 -0.94 0.00 0.00 39.48 40.04 3knz n PHE 305 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3knz h ALA 306 N 3.65 1.00 0.00 4.37 0.00 -1.29 -2.73 119.26 124.27 3knz h ALA 306 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3knz h ALA 306 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3knz h ALA 306 CO 0.03 0.00 -0.08 -0.39 0.00 0.00 0.00 179.25 178.81 3knz h VAL 307 N 0.00 0.93 0.00 0.00 -1.51 -1.83 0.17 116.25 114.01 3knz h VAL 307 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3knz h VAL 307 Cb 0.27 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 3knz h VAL 307 CO 0.00 0.08 0.00 -0.26 -1.23 0.00 0.00 177.57 176.16 3knz h PHE 308 N 0.00 0.00 0.00 5.19 0.04 -1.82 -3.34 116.94 117.01 3knz h PHE 308 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3knz h PHE 308 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3knz h PHE 308 CO 0.00 0.00 -0.65 0.39 -0.60 0.00 0.00 178.31 177.45 3knz n GLU 309 N -2.31 0.47 0.06 1.51 1.02 -0.01 -4.51 120.64 116.87 3knz n GLU 309 Ca 0.04 0.47 0.04 0.00 -0.02 0.00 0.00 57.16 57.69 3knz n GLU 309 Cb 0.37 -1.64 0.21 0.00 -0.02 0.00 0.00 31.44 30.36 3knz n GLU 309 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3knz n TYR 310 N -4.58 0.26 0.05 -0.32 4.01 -0.82 -1.10 117.16 114.66 3knz n TYR 310 Ca -0.10 0.14 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 3knz n TYR 310 Cb 0.34 -0.69 -0.10 0.00 -0.31 0.00 0.00 39.34 38.57 3knz n TYR 310 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 3knz h ILE 311 N 0.00 1.31 -0.71 -0.72 6.09 -1.79 -3.38 117.51 118.31 3knz h ILE 311 Ca 0.00 -2.99 0.03 0.00 -1.37 0.00 0.00 64.86 60.53 3knz h ILE 311 Cb 0.07 2.63 -0.05 0.00 0.47 0.00 0.00 36.82 39.95 3knz h ILE 311 CO 0.00 0.75 0.44 0.40 -3.07 0.00 0.00 178.15 176.67 3knz h ILE 312 N 0.00 1.08 -0.17 2.19 2.04 -1.35 -1.27 117.51 120.04 3knz h ILE 312 Ca -0.08 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3knz h ILE 312 Cb 1.76 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3knz h ILE 312 CO 0.10 0.15 -0.00 -0.65 0.00 0.00 0.00 178.15 177.76 3knz h PRO 313 N 0.85 0.24 -0.08 2.37 0.11 -1.74 -2.80 132.00 130.95 3knz h PRO 313 Ca 0.29 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 66.15 3knz h PRO 313 Cb 0.04 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3knz h PRO 313 CO -0.12 0.27 -0.78 -0.07 -0.21 0.00 0.00 178.00 177.10 3knz h LEU 314 N 0.24 0.82 -2.92 2.35 3.38 -1.54 -2.95 115.31 114.68 3knz h LEU 314 Ca 0.06 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3knz h LEU 314 Cb 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3knz h LEU 314 CO 0.00 1.38 0.00 0.00 0.09 0.00 0.00 178.44 179.91 3knz n GLN 315 N -4.01 0.25 0.00 1.13 6.02 -0.56 -3.21 117.38 117.00 3knz n GLN 315 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3knz n GLN 315 Cb 0.75 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.63 3knz n GLN 315 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3knz n LEU 317 N 1.40 0.00 0.02 1.08 4.77 -1.12 -2.66 117.00 120.50 3knz n LEU 317 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3knz n LEU 317 Cb 0.13 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.42 3knz n LEU 317 CO 0.00 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 176.79 3knz h ALA 319 N 1.32 0.35 0.00 0.00 0.00 -1.84 -3.41 119.26 115.68 3knz h ALA 319 Ca 0.06 -0.96 -0.21 0.00 0.00 0.00 0.00 54.91 53.80 3knz h ALA 319 Cb 0.68 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3knz h ALA 319 CO 0.05 1.24 -1.84 0.44 0.00 0.00 0.00 179.25 179.14 3knz n ILE 320 N -3.35 0.79 -0.19 0.00 -6.64 -1.22 -4.65 119.36 104.10 3knz n ILE 320 Ca -0.03 -0.51 -0.00 0.00 -1.77 0.00 0.00 62.75 60.44 3knz n ILE 320 Cb 0.96 -0.60 0.24 0.00 -1.44 0.00 0.00 39.64 38.80 3knz n ILE 320 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 3knz h LEU 321 N 0.00 0.83 0.00 7.28 3.38 -1.58 -3.50 115.31 121.72 3knz h LEU 321 Ca -0.31 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3knz h LEU 321 Cb 1.68 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3knz h LEU 321 CO 0.02 0.64 0.00 -2.65 0.09 0.00 0.00 178.44 176.54