#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knz h PHE -2 N 0.00 0.13 -0.19 2.98 0.04 -2.03 -2.72 116.94 115.16 3knz h PHE -2 Ca 0.00 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.76 3knz h PHE -2 Cb 0.00 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3knz h PHE -2 CO 0.00 0.78 0.22 1.96 -0.60 0.00 0.00 178.31 180.67 3knz h GLN -1 N 0.06 0.00 -0.67 1.51 7.50 -2.06 -0.03 115.11 121.42 3knz h GLN -1 Ca -0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3knz h GLN -1 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.81 3knz h GLN -1 CO 0.10 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.84 3knz n GLY 0 N -1.40 0.91 0.92 3.46 0.00 -1.03 -3.49 105.19 104.58 3knz n GLY 0 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.04 0.00 0.01 1.61 3.02 -0.02 -2.53 115.26 117.29 3knz n ASN 2 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 3knz n ASN 2 Cb 0.26 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.04 -0.03 3.52 1.02 -1.23 -4.43 120.64 119.53 3knz n GLU 3 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 3knz n GLU 3 Cb 0.00 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.00 0.98 -0.70 2.62 2.02 -1.80 -2.67 112.91 113.36 3knz h THR 4 Ca 0.00 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3knz h THR 4 Cb 0.53 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 3knz h THR 4 CO 0.00 0.03 0.40 -0.65 0.37 0.00 0.00 175.52 175.67 3knz h PRO 5 N 0.16 0.70 -0.80 6.66 0.11 -1.89 -1.19 132.00 135.76 3knz h PRO 5 Ca 0.07 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.14 3knz h PRO 5 Cb 0.02 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 3knz h PRO 5 CO -0.06 0.47 0.53 1.25 -0.21 0.00 0.00 178.00 179.98 3knz h LEU 6 N 0.72 0.92 -0.79 2.35 5.85 -1.79 -0.92 115.31 121.66 3knz h LEU 6 Ca 0.32 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 3knz h LEU 6 Cb 0.20 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3knz h LEU 6 CO -0.19 0.67 -0.15 0.03 -0.34 0.00 0.00 178.44 178.46 3knz h ARG 7 N 1.08 0.76 -0.50 1.25 2.47 -1.05 -1.09 114.38 117.30 3knz h ARG 7 Ca 0.29 -0.27 -0.13 0.00 -1.26 0.00 0.00 59.98 58.62 3knz h ARG 7 Cb -0.12 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 3knz h ARG 7 CO -0.06 0.87 -0.18 -0.07 0.56 0.00 0.00 179.97 181.09 3knz h LEU 8 N 0.68 1.02 -0.08 3.04 3.38 -0.85 -3.06 115.31 119.44 3knz h LEU 8 Ca 0.11 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3knz h LEU 8 Cb 0.63 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3knz h LEU 8 CO 0.04 1.17 0.05 -0.07 0.09 0.00 0.00 178.44 179.72 3knz h LEU 9 N 0.87 0.10 -3.45 1.67 3.38 -0.83 -3.08 115.31 113.97 3knz h LEU 9 Ca 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3knz h LEU 9 Cb 0.75 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3knz h LEU 9 CO 0.06 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 3knz n GLU 10 N -5.01 0.00 0.00 1.13 1.02 -0.44 -3.35 120.64 113.99 3knz n GLU 10 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3knz n GLU 10 Cb 0.05 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.37 0.00 -0.31 -4.62 4.77 -1.17 -2.74 117.00 114.30 3knz n LEU 12 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3knz n LEU 12 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 3knz n LEU 12 CO 0.00 0.00 0.38 0.35 -1.33 0.00 0.00 177.39 176.79 3knz n THR 13 N 0.00 0.00 -2.46 -5.08 -2.24 -1.21 -4.95 114.28 98.34 3knz n THR 13 Ca 0.00 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 3knz n THR 13 Cb 0.00 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.60 4.18 0.07 -0.78 -0.21 -1.11 -4.98 119.66 114.23 3knz s GLN 14 Ca 0.18 1.65 -0.21 0.00 0.02 0.00 0.00 55.36 57.00 3knz s GLN 14 Cb 0.18 -2.66 -0.12 0.00 1.00 0.00 0.00 33.01 31.41 3knz s GLN 14 CO 0.61 -0.16 1.54 1.79 -2.12 0.00 0.00 175.29 176.95 3knz h THR 15 N 2.33 1.21 -5.77 -0.19 1.35 -1.94 -3.48 112.91 106.43 3knz h THR 15 Ca -0.48 -0.68 -0.34 0.00 -0.55 0.00 0.00 66.41 64.36 3knz h THR 15 Cb 1.22 1.40 0.14 0.00 -1.73 0.00 0.00 68.15 69.18 3knz h THR 15 CO 0.63 0.20 -0.84 0.54 -0.25 0.00 0.00 175.52 175.80 3knz n ARG 16 N -4.82 -4.07 0.23 4.72 5.12 -1.26 -4.91 116.66 111.68 3knz n ARG 16 Ca -0.05 0.75 0.08 0.00 -1.93 0.00 0.00 57.85 56.69 3knz n ARG 16 Cb 0.17 -5.46 0.57 0.00 -1.16 0.00 0.00 32.46 26.58 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 -1.62 0.00 -0.50 5.56 5.08 -2.00 -2.55 114.58 118.55 3knz h GLU 17 Ca -0.61 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.82 3knz h GLU 17 Cb 1.34 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 3knz h GLU 17 CO 0.49 0.18 0.16 0.38 -1.00 0.00 0.00 179.01 179.22 3knz h ASP 18 N 0.00 0.13 -0.47 1.42 2.03 -1.91 0.72 116.42 118.35 3knz h ASP 18 Ca -0.00 0.07 -0.09 0.00 -0.73 0.00 0.00 57.03 56.28 3knz h ASP 18 Cb 0.35 0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 3knz h ASP 18 CO 0.02 0.10 -0.04 -0.07 -1.03 0.00 0.00 179.24 178.22 3knz h LEU 19 N 0.32 0.89 -0.59 0.15 3.38 -1.78 -2.58 115.31 115.10 3knz h LEU 19 Ca 0.25 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3knz h LEU 19 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3knz h LEU 19 CO -0.27 0.98 -0.48 -0.50 0.09 0.00 0.00 178.44 178.25 3knz h TRP 20 N 0.83 0.68 -0.60 1.13 4.06 -1.29 -0.24 115.95 120.52 3knz h TRP 20 Ca 0.15 -0.22 -0.05 0.00 2.06 0.00 0.00 58.89 60.83 3knz h TRP 20 Cb 0.55 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 3knz h TRP 20 CO 0.03 0.93 0.19 0.00 -3.56 0.00 0.00 178.44 176.04 3knz h ARG 21 N 0.44 0.94 0.16 0.49 3.08 -0.79 0.22 114.38 118.91 3knz h ARG 21 Ca 0.02 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3knz h ARG 21 Cb 1.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3knz h ARG 21 CO 0.09 0.83 -0.08 0.00 -1.07 0.00 0.00 179.97 179.75 3knz h ALA 22 N 1.06 -0.21 -0.92 0.04 0.00 -1.28 0.84 119.26 118.80 3knz h ALA 22 Ca 0.20 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3knz h ALA 22 Cb 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3knz h ALA 22 CO -0.01 -0.59 0.60 0.00 0.00 0.00 0.00 179.25 179.26 3knz h ALA 23 N 0.56 1.40 -0.26 0.00 0.00 -0.90 0.28 119.26 120.35 3knz h ALA 23 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3knz h ALA 23 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3knz h ALA 23 CO 0.04 0.52 0.15 0.37 0.00 0.00 0.00 179.25 180.33 3knz h GLN 24 N 1.17 0.36 -0.12 0.00 4.15 -0.23 -2.28 115.11 118.16 3knz h GLN 24 Ca 0.36 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.75 3knz h GLN 24 Cb -0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3knz h GLN 24 CO -0.10 0.30 0.06 0.00 -1.93 0.00 0.00 178.83 177.16 3knz h ALA 25 N 1.04 0.14 -0.78 3.38 0.00 0.19 -1.12 119.26 122.11 3knz h ALA 25 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.14 3knz h ALA 25 Cb 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3knz h ALA 25 CO -0.02 -0.39 0.35 1.25 0.00 0.00 0.00 179.25 180.44 3knz h LEU 26 N 0.13 0.38 -0.12 0.00 6.46 -0.35 0.12 115.31 121.92 3knz h LEU 26 Ca 0.05 0.10 -0.17 0.00 -0.12 0.00 0.00 57.88 57.74 3knz h LEU 26 Cb 0.01 0.05 0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3knz h LEU 26 CO -0.04 0.16 -0.57 0.74 -0.62 0.00 0.00 178.44 178.11 3knz h THR 27 N 0.52 1.34 0.00 1.05 2.02 -1.09 -2.85 112.91 113.90 3knz h THR 27 Ca 0.42 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.67 3knz h THR 27 Cb 0.60 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3knz h THR 27 CO -0.37 0.57 -0.70 -0.33 0.37 0.00 0.00 175.52 175.05 3knz h GLU 28 N 0.25 0.00 -0.62 6.66 5.08 -0.83 -3.34 114.58 121.78 3knz h GLU 28 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3knz h GLU 28 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3knz h GLU 28 CO 0.12 0.22 0.00 0.54 -1.00 0.00 0.00 179.01 178.89 3knz n ARG 29 N -3.00 4.38 -3.49 2.33 1.74 0.39 -4.97 116.66 114.05 3knz n ARG 29 Ca -0.01 -2.97 -0.19 0.00 -0.77 0.00 0.00 57.85 53.92 3knz n ARG 29 Cb 0.67 -2.11 0.08 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.81 -0.37 3.70 -0.13 0.00 -1.25 -4.96 105.19 102.99 3knz n GLY 30 Ca 0.26 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.40 4.34 -0.43 1.61 1.01 -1.07 -4.70 120.40 117.76 3knz s VAL 31 Ca 0.07 1.67 0.22 0.00 0.00 0.00 0.00 61.98 63.94 3knz s VAL 31 Cb -0.03 -4.07 -0.27 0.00 0.00 0.00 0.00 36.38 32.00 3knz s VAL 31 CO 0.74 0.08 0.69 0.35 0.00 0.00 0.00 175.10 176.96 3knz n THR 32 N 4.19 0.03 -3.50 3.92 -2.24 0.72 -4.95 114.28 112.44 3knz n THR 32 Ca 0.09 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3knz n THR 32 Cb 0.47 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 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 -3.31 1.00 -0.16 -0.78 1.70 -1.16 -4.29 118.95 111.95 3knz s ARG 33 Ca -0.01 -0.07 -0.06 0.00 -0.47 0.00 0.00 55.73 55.11 3knz s ARG 33 Cb 0.15 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 3knz s ARG 33 CO 0.88 -0.38 0.05 0.42 -1.08 0.00 0.00 175.30 175.20 3knz s ILE 34 N -2.27 4.68 -0.25 4.99 1.09 0.95 -1.87 121.20 128.52 3knz s ILE 34 Ca -0.03 -0.08 -0.02 0.00 -1.10 0.00 0.00 60.65 59.42 3knz s ILE 34 Cb -0.01 -3.08 0.02 0.00 -1.06 0.00 0.00 42.46 38.33 3knz s ILE 34 CO -0.02 0.50 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.64 3knz s ILE 35 N 0.08 2.98 -0.24 2.92 1.01 -0.53 -0.36 121.20 127.06 3knz s ILE 35 Ca 0.05 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 3knz s ILE 35 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3knz s ILE 35 CO 0.01 0.23 0.27 -0.76 0.00 0.00 0.00 174.94 174.69 3knz s LEU 36 N 1.35 4.10 -0.04 2.97 1.43 0.41 -0.29 118.68 128.62 3knz s LEU 36 Ca 0.01 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 3knz s LEU 36 Cb -0.16 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3knz s LEU 36 CO -0.04 -0.03 -0.20 0.28 0.23 0.00 0.00 176.35 176.58 3knz s THR 37 N 1.38 2.55 0.00 5.49 -1.32 0.02 -1.02 115.64 122.73 3knz s THR 37 Ca 0.12 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 3knz s THR 37 Cb -0.15 -1.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 3knz s THR 37 CO 0.07 0.58 0.00 0.61 -2.21 0.00 0.00 174.62 173.68 3knz n GLY 38 N 2.43 -0.61 3.23 6.08 0.00 -0.87 -0.48 105.19 114.97 3knz n GLY 38 Ca -0.17 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 1.55 0.45 1.61 0.01 -1.26 -4.10 113.70 111.97 3knz s SER 39 Ca 0.00 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.22 3knz s SER 39 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3knz s SER 39 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86 3knz n GLY 40 N -0.17 2.72 0.37 3.44 0.00 -1.26 -1.23 105.19 109.06 3knz n GLY 40 Ca -0.10 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 0.83 -0.01 2.61 2.02 -1.98 0.71 112.91 117.09 3knz h THR 41 Ca 0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3knz h THR 41 Cb 0.00 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 3knz h THR 41 CO 0.00 0.14 0.00 0.28 0.37 0.00 0.00 175.52 176.32 3knz h SER 42 N 0.78 0.02 -0.68 4.18 0.02 -1.51 0.24 113.55 116.59 3knz h SER 42 Ca 0.49 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 3knz h SER 42 Cb 0.71 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3knz h SER 42 CO -0.25 0.23 0.42 0.22 -1.14 0.00 0.00 176.83 176.31 3knz h TYR 43 N -0.18 0.78 -0.52 3.45 3.20 -0.84 -1.71 116.97 121.15 3knz h TYR 43 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3knz h TYR 43 Cb 0.21 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3knz h TYR 43 CO -0.00 0.44 0.18 0.45 -1.64 0.00 0.00 178.16 177.59 3knz h HIS 44 N 0.81 0.82 -0.59 -3.82 3.86 -0.70 -1.50 115.15 114.04 3knz h HIS 44 Ca 0.28 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 3knz h HIS 44 Cb 0.05 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.23 3knz h HIS 44 CO -0.05 0.69 0.33 0.78 0.86 0.00 0.00 177.93 180.54 3knz h GLY 45 N 0.71 0.85 0.70 2.45 0.00 -0.56 -0.00 103.07 107.22 3knz h GLY 45 Ca 0.17 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.29 3knz h GLY 45 CO -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 176.54 176.62 3knz h ALA 46 N 1.30 -0.00 -0.48 3.60 0.00 -0.96 -1.56 119.26 121.15 3knz h ALA 46 Ca 0.26 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3knz h ALA 46 Cb 0.13 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3knz h ALA 46 CO -0.15 -0.54 0.17 -0.07 0.00 0.00 0.00 179.25 178.66 3knz h LEU 47 N -0.09 0.17 -1.45 0.00 3.38 -0.76 -0.95 115.31 115.61 3knz h LEU 47 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3knz h LEU 47 Cb 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3knz h LEU 47 CO -0.14 0.13 0.04 0.74 0.09 0.00 0.00 178.44 179.30 3knz h THR 48 N 0.34 1.15 -0.01 0.22 2.02 -0.59 -2.67 112.91 113.37 3knz h THR 48 Ca 0.23 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3knz h THR 48 Cb 0.24 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3knz h THR 48 CO -0.23 0.19 -0.40 0.00 0.37 0.00 0.00 175.52 175.44 3knz n ALA 49 N -2.49 3.39 -0.04 6.16 0.00 -0.63 -4.62 120.51 122.29 3knz n ALA 49 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 3knz n ALA 49 Cb 0.18 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 1.58 -0.04 -0.41 0.00 2.43 -0.82 -2.63 114.38 114.49 3knz h ARG 50 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3knz h ARG 50 Cb 0.61 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3knz h ARG 50 CO 0.00 -0.02 0.22 1.15 -1.51 0.00 0.00 179.97 179.80 3knz h THR 51 N -0.04 1.00 0.00 0.20 2.02 -1.82 -1.14 112.91 113.13 3knz h THR 51 Ca 0.11 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3knz h THR 51 Cb 0.20 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3knz h THR 51 CO -0.23 0.08 0.00 0.33 0.37 0.00 0.00 175.52 176.07 3knz n PHE 52 N -4.90 0.00 0.00 3.16 7.35 -0.99 -2.36 117.46 119.72 3knz n PHE 52 Ca 0.02 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3knz n PHE 52 Cb 0.09 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.88 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 0.62 0.00 0.01 -4.13 6.02 -0.43 -2.57 117.38 116.89 3knz n GLN 54 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3knz n GLN 54 Cb 0.02 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.20 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 -0.00 0.00 -1.09 2.43 -1.73 -1.88 114.38 112.11 3knz h ARG 55 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3knz h ARG 55 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3knz h ARG 55 CO 0.00 0.27 -0.79 -1.49 -1.51 0.00 0.00 179.97 176.46 3knz h TRP 56 N -0.28 0.00 0.00 2.20 4.06 -1.78 -3.23 115.95 116.92 3knz h TRP 56 Ca -0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3knz h TRP 56 Cb 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 3knz h TRP 56 CO 0.02 0.09 -0.86 0.00 -3.56 0.00 0.00 178.44 174.12 3knz n ALA 58 N -2.18 -1.02 -2.25 0.00 0.00 -0.71 -4.94 120.51 109.41 3knz n ALA 58 Ca -0.00 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 3knz n ALA 58 Cb 0.57 -3.73 -0.09 0.00 0.00 0.00 0.00 19.45 16.20 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 -6.69 1.86 0.18 0.00 1.43 -1.23 -5.08 118.68 109.15 3knz s LEU 59 Ca 0.35 -1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.11 3knz s LEU 59 Cb -0.17 0.46 -0.08 0.00 0.03 0.00 0.00 46.19 46.43 3knz s LEU 59 CO 0.44 -0.71 1.18 -2.84 0.23 0.00 0.00 176.35 174.65 3knz s PRO 60 N -3.98 4.51 -0.20 1.29 0.02 -1.26 -4.52 135.00 130.86 3knz s PRO 60 Ca 0.16 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.04 3knz s PRO 60 Cb 0.07 -3.25 0.03 0.00 0.02 0.00 0.00 34.50 31.37 3knz s PRO 60 CO -0.04 -0.06 -0.17 0.08 -0.33 0.00 0.00 177.00 176.48 3knz s VAL 61 N -0.08 2.03 0.06 3.83 1.01 -1.26 -0.04 120.40 125.96 3knz s VAL 61 Ca 0.52 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3knz s VAL 61 Cb -0.32 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3knz s VAL 61 CO 0.36 0.39 -0.01 -1.81 0.00 0.00 0.00 175.10 174.03 3knz s ASP 62 N 1.27 4.99 -0.07 3.32 1.01 0.51 -4.97 116.67 122.73 3knz s ASP 62 Ca 0.02 -0.14 0.05 0.00 0.71 0.00 0.00 52.55 53.19 3knz s ASP 62 Cb -0.15 -1.21 -0.01 0.00 1.01 0.00 0.00 42.92 42.57 3knz s ASP 62 CO -0.11 0.21 -0.24 -0.69 0.21 0.00 0.00 175.17 174.55 3knz s VAL 63 N -1.23 2.13 0.08 -1.27 1.01 -1.26 0.16 120.40 120.02 3knz s VAL 63 Ca 0.23 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 3knz s VAL 63 Cb -0.12 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.56 3knz s VAL 63 CO 0.15 0.57 0.83 0.00 0.00 0.00 0.00 175.10 176.65 3knz s TRP 65 N -3.34 3.09 0.29 0.00 0.51 -1.26 -2.04 118.94 116.19 3knz s TRP 65 Ca 0.06 1.59 0.03 0.00 -2.12 0.00 0.00 56.10 55.66 3knz s TRP 65 Cb -0.01 -3.24 0.61 0.00 -0.81 0.00 0.00 33.47 30.02 3knz s TRP 65 CO -0.07 -1.02 1.83 -1.35 -0.51 0.00 0.00 176.95 175.83 3knz h PRO 66 N 2.31 0.90 -3.01 4.98 0.11 -1.91 -3.35 132.00 132.04 3knz h PRO 66 Ca -0.49 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3knz h PRO 66 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3knz h PRO 66 CO 0.61 0.60 0.62 1.97 -0.21 0.00 0.00 178.00 181.59 3knz n PHE 67 N -4.64 0.13 -3.21 0.65 1.16 -1.26 -4.66 117.46 105.63 3knz n PHE 67 Ca 0.20 -0.52 -0.04 0.00 -1.87 0.00 0.00 57.45 55.22 3knz n PHE 67 Cb 0.41 -0.76 0.00 0.00 -1.61 0.00 0.00 39.48 37.52 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 3.31 -0.11 -4.82 5.98 4.77 -1.26 -5.01 117.00 119.86 3knz n LEU 69 Ca 0.12 -0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 3knz n LEU 69 Cb 0.17 -0.19 0.17 0.00 -2.33 0.00 0.00 43.42 41.24 3knz n LEU 69 CO 0.31 0.07 0.77 1.51 -1.33 0.00 0.00 177.39 178.72 3knz s ASP 70 N -3.47 3.00 0.18 -1.43 3.84 -1.26 -4.81 116.67 112.73 3knz s ASP 70 Ca 0.03 0.61 -0.13 0.00 -0.00 0.00 0.00 52.55 53.06 3knz s ASP 70 Cb -0.02 -0.91 0.17 0.00 -1.38 0.00 0.00 42.92 40.78 3knz s ASP 70 CO 0.11 -2.83 1.73 0.44 -0.00 0.00 0.00 175.17 174.62 3knz h ASP 71 N -1.70 0.08 -0.84 2.11 3.32 -1.97 -2.26 116.42 115.16 3knz h ASP 71 Ca -0.46 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3knz h ASP 71 Cb 1.29 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 3knz h ASP 71 CO 0.48 0.07 0.40 -0.33 -1.72 0.00 0.00 179.24 178.14 3knz h GLU 72 N 0.28 1.21 -0.49 3.56 5.08 -1.99 0.12 114.58 122.35 3knz h GLU 72 Ca 0.23 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3knz h GLU 72 Cb 0.28 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3knz h GLU 72 CO -0.28 0.93 0.28 1.15 -1.00 0.00 0.00 179.01 180.10 3knz h THR 73 N 1.20 1.16 -0.05 1.13 2.02 -1.82 -2.16 112.91 114.39 3knz h THR 73 Ca 0.29 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3knz h THR 73 Cb 0.13 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3knz h THR 73 CO -0.04 0.17 -0.52 -0.07 0.37 0.00 0.00 175.52 175.43 3knz h LEU 74 N 0.66 0.14 -0.04 2.58 3.38 -1.10 -2.34 115.31 118.58 3knz h LEU 74 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3knz h LEU 74 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3knz h LEU 74 CO -0.03 0.64 -0.00 0.00 0.09 0.00 0.00 178.44 179.14 3knz h ALA 75 N 1.36 0.06 0.00 1.53 0.00 -0.70 -3.21 119.26 118.30 3knz h ALA 75 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3knz h ALA 75 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3knz h ALA 75 CO 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 179.25 178.96 3knz h ARG 76 N -0.23 0.00 -6.88 0.00 3.08 -1.38 -3.45 114.38 105.52 3knz h ARG 76 Ca 0.01 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.56 3knz h ARG 76 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 3knz h ARG 76 CO 0.00 0.09 0.47 0.45 -1.07 0.00 0.00 179.97 179.92 3knz s SER 77 N -6.05 6.94 0.79 7.04 0.15 -0.88 -5.02 113.70 116.66 3knz s SER 77 Ca 0.03 2.25 -0.12 0.00 0.70 0.00 0.00 55.95 58.82 3knz s SER 77 Cb 0.08 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.84 3knz s SER 77 CO 0.63 -0.38 1.12 -0.83 1.20 0.00 0.00 173.24 174.98 3knz s GLY 78 N -1.09 1.84 0.24 9.45 0.00 -1.26 -4.87 107.32 111.63 3knz s GLY 78 Ca 0.51 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 45.41 3knz s GLY 78 CO 0.38 0.85 1.04 1.17 0.00 0.00 0.00 173.10 176.53 3knz n LYS 79 N -3.43 1.19 -4.07 2.90 4.81 -1.26 -4.78 118.16 113.52 3knz n LYS 79 Ca 0.11 0.42 -0.07 0.00 -0.87 0.00 0.00 58.31 57.89 3knz n LYS 79 Cb 0.52 -1.81 -0.10 0.00 0.02 0.00 0.00 35.03 33.66 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 -0.72 0.46 -0.46 3.14 0.00 -1.26 -0.20 121.76 122.72 3knz s ALA 80 Ca 0.64 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3knz s ALA 80 Cb -0.77 0.33 0.07 0.00 0.00 0.00 0.00 23.12 22.74 3knz s ALA 80 CO 0.57 -0.39 0.37 -1.17 0.00 0.00 0.00 175.76 175.13 3knz s LEU 81 N -2.92 5.51 -0.40 0.00 2.96 -0.78 -0.59 118.68 122.45 3knz s LEU 81 Ca 0.08 -1.34 -0.22 0.00 -0.22 0.00 0.00 54.13 52.43 3knz s LEU 81 Cb 0.08 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3knz s LEU 81 CO -0.09 -0.62 0.72 -0.69 -1.32 0.00 0.00 176.35 174.35 3knz s VAL 82 N 1.60 4.76 -0.30 1.68 1.01 0.14 -1.46 120.40 127.84 3knz s VAL 82 Ca 0.04 0.54 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3knz s VAL 82 Cb -0.24 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 3knz s VAL 82 CO 0.06 -0.52 0.22 -0.69 0.00 0.00 0.00 175.10 174.17 3knz s VAL 83 N 3.02 5.29 -0.43 2.92 1.01 0.60 -1.58 120.40 131.23 3knz s VAL 83 Ca 0.28 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 3knz s VAL 83 Cb -0.13 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3knz s VAL 83 CO 0.19 0.15 0.73 -0.83 0.00 0.00 0.00 175.10 175.34 3knz s GLY 84 N 1.74 1.65 -0.16 4.51 0.00 -0.37 -0.80 107.32 113.88 3knz s GLY 84 Ca 0.07 -1.03 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 3knz s GLY 84 CO 0.11 1.69 0.10 -0.42 0.00 0.00 0.00 173.10 174.58 3knz s ILE 85 N 3.10 5.19 -0.05 0.90 1.01 0.37 -4.42 121.20 127.29 3knz s ILE 85 Ca 0.27 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 3knz s ILE 85 Cb -0.13 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3knz s ILE 85 CO 0.21 0.51 0.26 -0.55 0.00 0.00 0.00 174.94 175.37 3knz s SER 86 N -0.14 -0.19 0.24 3.58 0.15 -1.26 -4.39 113.70 111.69 3knz s SER 86 Ca 0.09 0.22 0.25 0.00 0.70 0.00 0.00 55.95 57.21 3knz s SER 86 Cb -0.12 0.40 0.65 0.00 -1.71 0.00 0.00 66.02 65.24 3knz s SER 86 CO 0.01 -0.29 1.67 1.56 1.20 0.00 0.00 173.24 177.39 3knz h GLN 87 N 4.68 0.00 0.00 5.44 1.08 -1.92 -2.09 115.11 122.30 3knz h GLN 87 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3knz h GLN 87 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3knz h GLN 87 CO 0.37 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.66 3knz n GLY 88 N 1.27 4.54 0.16 3.46 0.00 -1.26 -3.80 105.19 109.56 3knz n GLY 88 Ca 0.05 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3knz n GLY 88 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3knz h GLY 89 N 0.00 0.00 0.00 -0.02 0.00 -1.91 -1.47 103.07 99.67 3knz h GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knz h GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3knz n GLY 90 N 1.18 3.29 3.93 4.60 0.00 -1.26 -1.50 105.19 115.44 3knz n GLY 90 Ca 0.04 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 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 4.61 0.45 1.61 1.04 -1.26 -4.74 113.70 115.41 3knz s SER 91 Ca 0.00 0.40 0.24 0.00 0.48 0.00 0.00 55.95 57.07 3knz s SER 91 Cb 0.00 -0.96 0.98 0.00 0.10 0.00 0.00 66.02 66.14 3knz s SER 91 CO 0.00 -1.74 1.85 -0.07 0.98 0.00 0.00 173.24 174.27 3knz h LEU 92 N -0.71 0.00 -0.00 2.42 3.38 -2.00 -2.18 115.31 116.22 3knz h LEU 92 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3knz h LEU 92 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3knz h LEU 92 CO 0.57 0.22 -0.00 0.28 0.09 0.00 0.00 178.44 179.60 3knz h SER 93 N 0.00 0.01 -0.53 -0.43 0.02 -1.98 -0.48 113.55 110.15 3knz h SER 93 Ca -0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3knz h SER 93 Cb 0.70 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 3knz h SER 93 CO 0.03 0.36 0.34 0.74 -1.14 0.00 0.00 176.83 177.16 3knz h THR 94 N -0.35 1.15 -0.44 -2.27 2.02 -1.90 0.13 112.91 111.24 3knz h THR 94 Ca 0.00 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 3knz h THR 94 Cb 0.36 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3knz h THR 94 CO 0.00 0.14 0.16 0.25 0.37 0.00 0.00 175.52 176.45 3knz h LEU 95 N 0.71 0.62 -0.42 2.58 5.85 -1.35 -2.98 115.31 120.32 3knz h LEU 95 Ca 0.19 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3knz h LEU 95 Cb -0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3knz h LEU 95 CO -0.04 0.63 0.08 0.00 -0.34 0.00 0.00 178.44 178.77 3knz h ALA 96 N 1.01 0.55 0.00 1.25 0.00 -0.76 -1.95 119.26 119.36 3knz h ALA 96 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3knz h ALA 96 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3knz h ALA 96 CO -0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3knz n ALA 97 N -2.37 1.06 0.00 0.00 0.00 0.42 -0.98 120.51 118.64 3knz n ALA 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knz n ALA 97 Cb 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.62 0.00 -0.24 0.00 1.02 -0.73 -1.40 120.64 119.91 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 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.96 -0.43 3.49 3.08 -1.34 -0.69 114.38 119.45 3knz h ARG 100 Ca 0.00 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3knz h ARG 100 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3knz h ARG 100 CO 0.00 0.76 0.04 0.00 -1.07 0.00 0.00 179.97 179.70 3knz h ALA 101 N 1.15 1.26 -0.02 0.04 0.00 -1.48 -2.55 119.26 117.66 3knz h ALA 101 Ca 0.23 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 3knz h ALA 101 Cb 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3knz h ALA 101 CO -0.03 0.50 -0.93 -0.09 0.00 0.00 0.00 179.25 178.70 3knz h ARG 102 N 0.65 0.53 -0.65 0.00 2.43 -1.66 0.16 114.38 115.84 3knz h ARG 102 Ca 0.14 -0.54 -0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3knz h ARG 102 Cb 0.35 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3knz h ARG 102 CO 0.01 1.17 0.24 -0.91 -1.51 0.00 0.00 179.97 178.96 3knz h ASN 103 N 0.31 0.92 0.93 -3.80 2.35 -0.93 -2.66 115.58 112.70 3knz h ASN 103 Ca -0.08 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 3knz h ASN 103 Cb 1.56 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 3knz h ASN 103 CO 0.17 0.86 -0.26 0.58 -1.65 0.00 0.00 177.43 177.13 3knz h VAL 104 N 0.93 0.63 0.00 2.81 2.07 -1.49 -3.47 116.25 117.73 3knz h VAL 104 Ca 0.22 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3knz h VAL 104 Cb 0.25 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3knz h VAL 104 CO -0.01 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.44 3knz n GLY 105 N 0.20 0.79 3.78 2.17 0.00 -1.00 -5.09 105.19 106.03 3knz n GLY 105 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.64 2.68 -0.10 1.61 3.76 0.53 -4.91 115.29 117.21 3knz s HIS 106 Ca 0.00 1.18 -0.09 0.00 -0.15 0.00 0.00 55.06 56.00 3knz s HIS 106 Cb 0.00 -3.14 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 3knz s HIS 106 CO 0.00 -1.96 0.21 0.42 -0.85 0.00 0.00 174.74 172.56 3knz s ILE 107 N -3.09 5.38 0.24 0.60 1.09 0.24 -4.29 121.20 121.37 3knz s ILE 107 Ca 0.62 0.37 0.11 0.00 -1.10 0.00 0.00 60.65 60.65 3knz s ILE 107 Cb -0.15 -3.49 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 3knz s ILE 107 CO 0.55 0.59 -0.20 0.42 -0.10 0.00 0.00 174.94 176.21 3knz s THR 108 N -0.92 2.54 0.12 2.92 -4.23 -1.26 0.28 115.64 115.09 3knz s THR 108 Ca 0.17 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 3knz s THR 108 Cb -0.13 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 3knz s THR 108 CO 0.06 -0.26 0.17 0.00 -0.54 0.00 0.00 174.62 174.05 3knz s ALA 109 N -2.10 0.11 0.00 3.99 0.00 -0.62 -1.61 121.76 121.54 3knz s ALA 109 Ca 0.26 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3knz s ALA 109 Cb -0.07 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.70 3knz s ALA 109 CO 0.13 -0.54 0.00 -1.13 0.00 0.00 0.00 175.76 174.23 3knz n SER 110 N -0.10 1.17 0.00 0.00 3.41 -0.85 -1.23 113.62 116.01 3knz n SER 110 Ca -0.11 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3knz n SER 110 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 1.21 7.33 0.00 -1.26 -0.18 120.51 124.61 3knz n ALA 112 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3knz n ALA 112 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.60 -0.46 3.22 0.00 0.00 -0.55 -1.61 105.19 105.19 3knz n GLY 113 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.48 0.57 -0.05 1.61 -7.23 -1.25 -4.92 120.40 106.65 3knz s VAL 114 Ca 0.24 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 3knz s VAL 114 Cb 0.19 -2.05 0.04 0.00 0.56 0.00 0.00 36.38 35.11 3knz s VAL 114 CO 0.52 -0.52 0.10 0.00 -0.31 0.00 0.00 175.10 174.88 3knz s ALA 115 N -3.72 0.06 0.57 1.32 0.00 -1.26 -3.60 121.76 115.11 3knz s ALA 115 Ca 0.22 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 3knz s ALA 115 Cb 0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 3knz s ALA 115 CO 0.02 -0.46 1.01 -1.25 0.00 0.00 0.00 175.76 175.09 3knz s PRO 116 N 2.05 3.72 0.17 0.00 0.04 -1.26 -5.19 135.00 134.53 3knz s PRO 116 Ca 0.02 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.07 3knz s PRO 116 Cb -0.12 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3knz s PRO 116 CO -0.04 -0.47 -0.12 0.00 0.04 0.00 0.00 177.00 176.41 3knz s ALA 117 N -2.81 2.88 0.20 8.56 0.00 -1.24 -4.98 121.76 124.37 3knz s ALA 117 Ca 0.58 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3knz s ALA 117 Cb -0.11 -0.69 0.23 0.00 0.00 0.00 0.00 23.12 22.54 3knz s ALA 117 CO 0.40 0.49 1.79 1.15 0.00 0.00 0.00 175.76 179.59 3knz h THR 118 N 2.90 0.93 0.00 0.00 2.02 -1.58 -2.08 112.91 115.10 3knz h THR 118 Ca -0.47 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3knz h THR 118 Cb 1.20 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3knz h THR 118 CO 0.53 0.11 0.00 2.30 0.37 0.00 0.00 175.52 178.82 3knz n ILE 119 N -4.85 0.00 0.22 3.11 -5.35 -0.81 -2.31 119.36 109.38 3knz n ILE 119 Ca 0.08 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.67 3knz n ILE 119 Cb 0.19 -0.64 0.22 0.00 -1.74 0.00 0.00 39.64 37.66 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 0.43 7.28 3.32 -1.65 -3.26 116.42 122.54 3knz h ASP 120 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3knz h ASP 120 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3knz h ASP 120 CO 0.00 0.06 -0.39 0.03 -1.72 0.00 0.00 179.24 177.22 3knz h ARG 121 N 0.00 0.00 -0.63 3.56 3.08 -1.64 -2.71 114.38 116.04 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 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3knz h ARG 121 CO 0.01 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.29 3knz n ALA 122 N -2.44 2.66 -2.76 0.04 0.00 -1.23 -4.96 120.51 111.82 3knz n ALA 122 Ca -0.02 -1.45 -0.35 0.00 0.00 0.00 0.00 53.44 51.62 3knz n ALA 122 Cb 0.43 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.42 3.55 0.02 0.00 0.00 -1.03 -4.71 121.76 118.17 3knz s ALA 123 Ca 0.46 -0.78 0.16 0.00 0.00 0.00 0.00 51.96 51.80 3knz s ALA 123 Cb 0.27 -2.12 0.32 0.00 0.00 0.00 0.00 23.12 21.59 3knz s ALA 123 CO 0.27 0.04 1.56 -0.44 0.00 0.00 0.00 175.76 177.19 3knz h ASP 124 N 6.97 0.00 -3.23 0.00 3.32 -1.61 -3.43 116.42 118.44 3knz h ASP 124 Ca -0.39 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.30 3knz h ASP 124 Cb 1.16 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.33 3knz h ASP 124 CO 0.70 0.49 -0.72 -0.31 -1.72 0.00 0.00 179.24 177.68 3knz s TYR 125 N -3.23 0.02 -0.40 4.55 2.02 -0.99 -5.03 117.35 114.29 3knz s TYR 125 Ca 0.02 0.28 -0.26 0.00 -0.37 0.00 0.00 57.07 56.74 3knz s TYR 125 Cb 0.09 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 41.22 3knz s TYR 125 CO 0.72 -0.24 0.93 0.42 -1.57 0.00 0.00 175.55 175.81 3knz s ILE 126 N 2.19 4.54 -0.35 2.71 1.09 -1.26 -2.01 121.20 128.11 3knz s ILE 126 Ca 0.04 1.02 0.06 0.00 -1.10 0.00 0.00 60.65 60.68 3knz s ILE 126 Cb -0.12 -4.37 0.48 0.00 -1.06 0.00 0.00 42.46 37.39 3knz s ILE 126 CO -0.04 -0.65 1.47 0.18 -0.10 0.00 0.00 174.94 175.80 3knz n LEU 127 N 6.93 4.94 -4.49 2.97 4.77 0.74 -4.84 117.00 128.02 3knz n LEU 127 Ca 0.07 -4.17 -0.56 0.00 -0.03 0.00 0.00 56.01 51.31 3knz n LEU 127 Cb 0.48 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 3knz n LEU 127 CO 0.60 1.57 0.48 0.41 -1.33 0.00 0.00 177.39 179.12 3knz n THR 128 N -0.97 0.41 -2.30 -5.08 -1.04 -1.15 -4.74 114.28 99.41 3knz n THR 128 Ca 0.41 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.89 3knz n THR 128 Cb 0.95 -0.06 -0.02 0.00 -1.82 0.00 0.00 70.33 69.38 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 -0.18 4.05 -0.72 12.58 1.01 -0.63 -4.92 120.40 131.59 3knz s VAL 129 Ca 0.85 1.24 0.00 0.00 0.00 0.00 0.00 61.98 64.07 3knz s VAL 129 Cb -1.18 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 31.31 3knz s VAL 129 CO 0.56 -0.20 0.24 -0.81 0.00 0.00 0.00 175.10 174.89 3knz n PRO 130 N 6.98 0.37 0.00 2.72 -0.04 -1.26 -4.63 135.00 139.14 3knz n PRO 130 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3knz n PRO 130 Cb 0.45 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3knz n PRO 130 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3knz n THR 140 N 0.45 0.00 0.25 0.52 5.66 -1.26 -5.13 114.28 114.77 3knz n THR 140 Ca 0.00 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 3knz n THR 140 Cb 0.12 0.00 0.49 0.00 -1.55 0.00 0.00 70.33 69.39 3knz n THR 140 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 3knz h LYS 141 N 0.00 0.00 -0.72 1.09 2.10 -1.99 -3.39 116.57 113.66 3knz h LYS 141 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 3knz h LYS 141 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 3knz h LYS 141 CO 0.00 0.04 -0.34 0.41 -2.00 0.00 0.00 179.45 177.55 3knz n GLY 142 N 0.41 -1.66 0.26 0.07 0.00 -1.26 -0.89 105.19 102.13 3knz n GLY 142 Ca 0.02 0.83 -0.16 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.56 -0.24 1.61 3.20 -1.91 -0.82 116.97 118.25 3knz h TYR 143 Ca 0.19 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3knz h TYR 143 Cb 0.37 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 3knz h TYR 143 CO -0.68 -0.35 -0.16 0.45 -1.64 0.00 0.00 178.16 175.79 3knz h HIS 144 N -0.61 -0.39 -0.86 -3.82 3.86 -1.47 -0.81 115.15 111.05 3knz h HIS 144 Ca -0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3knz h HIS 144 Cb 0.46 0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 3knz h HIS 144 CO -0.04 -0.23 0.47 0.00 0.86 0.00 0.00 177.93 178.99 3knz h THR 146 N 1.20 1.14 -0.43 0.00 2.02 -0.61 0.27 112.91 116.50 3knz h THR 146 Ca 0.30 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 67.05 3knz h THR 146 Cb 0.03 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3knz h THR 146 CO -0.05 0.12 0.20 0.58 0.37 0.00 0.00 175.52 176.75 3knz h VAL 147 N -0.22 0.95 -0.54 3.16 2.07 -0.83 -0.15 116.25 120.70 3knz h VAL 147 Ca -0.00 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3knz h VAL 147 Cb 0.21 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3knz h VAL 147 CO 0.00 0.08 -0.03 0.25 0.02 0.00 0.00 177.57 177.89 3knz h LEU 148 N 0.41 0.93 -0.27 2.57 5.85 -0.83 -2.92 115.31 121.04 3knz h LEU 148 Ca 0.19 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3knz h LEU 148 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3knz h LEU 148 CO -0.15 1.00 0.13 -1.13 -0.34 0.00 0.00 178.44 177.96 3knz h ASN 149 N 0.87 0.19 0.00 1.25 -1.24 0.16 -0.41 115.58 116.40 3knz h ASN 149 Ca 0.16 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3knz h ASN 149 Cb 0.55 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.57 3knz h ASN 149 CO 0.03 0.15 0.00 0.18 -1.29 0.00 0.00 177.43 176.50 3knz n LEU 150 N -4.98 0.44 0.00 0.34 4.77 -0.12 -1.72 117.00 115.73 3knz n LEU 150 Ca -0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3knz n LEU 150 Cb 0.07 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3knz n LEU 150 CO 0.31 0.08 0.00 0.18 -1.33 0.00 0.00 177.39 176.63 3knz n LEU 152 N 0.78 0.00 -0.28 2.23 4.77 -0.16 -2.33 117.00 122.01 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 0.08 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3knz n LEU 152 CO 0.00 0.00 1.10 0.25 -1.33 0.00 0.00 177.39 177.41 3knz h LEU 153 N 0.00 0.98 -0.58 2.23 5.85 -1.59 -0.59 115.31 121.61 3knz h LEU 153 Ca 0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3knz h LEU 153 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3knz h LEU 153 CO 0.00 0.82 0.27 0.00 -0.34 0.00 0.00 178.44 179.19 3knz h ALA 154 N 1.20 0.75 -0.46 1.25 0.00 -1.74 -0.86 119.26 119.40 3knz h ALA 154 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3knz h ALA 154 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3knz h ALA 154 CO -0.04 0.33 0.05 -0.07 0.00 0.00 0.00 179.25 179.51 3knz h LEU 155 N 0.79 0.69 -0.64 0.00 4.07 -1.77 -1.23 115.31 117.22 3knz h LEU 155 Ca 0.20 -0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 3knz h LEU 155 Cb 0.14 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 3knz h LEU 155 CO -0.02 0.73 0.02 0.00 -1.08 0.00 0.00 178.44 178.09 3knz h ALA 156 N 1.36 0.85 -0.44 1.53 0.00 -0.65 0.83 119.26 122.74 3knz h ALA 156 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3knz h ALA 156 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3knz h ALA 156 CO 0.01 0.67 0.17 0.28 0.00 0.00 0.00 179.25 180.38 3knz h VAL 157 N 1.00 1.21 -0.67 0.00 2.07 -0.74 -0.84 116.25 118.27 3knz h VAL 157 Ca 0.18 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3knz h VAL 157 Cb 0.54 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3knz h VAL 157 CO 0.03 0.24 0.35 0.00 0.02 0.00 0.00 177.57 178.21 3knz h ALA 158 N 1.02 0.86 -0.29 1.67 0.00 -0.98 -2.53 119.26 119.01 3knz h ALA 158 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3knz h ALA 158 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3knz h ALA 158 CO -0.01 0.39 0.13 0.78 0.00 0.00 0.00 179.25 180.54 3knz h GLY 159 N 0.92 0.46 1.36 0.00 0.00 -0.53 -0.56 103.07 104.72 3knz h GLY 159 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3knz h GLY 159 CO -0.04 0.23 0.34 1.46 0.00 0.00 0.00 176.54 178.53 3knz h GLN 160 N 0.34 0.84 -0.59 4.80 1.08 -1.10 -2.34 115.11 118.14 3knz h GLN 160 Ca 0.10 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3knz h GLN 160 Cb 0.15 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3knz h GLN 160 CO -0.01 0.61 0.00 1.04 -0.95 0.00 0.00 178.83 179.52 3knz n GLN 161 N -4.39 2.55 -4.19 1.46 6.02 -0.96 -4.93 117.38 112.94 3knz n GLN 161 Ca 0.06 -1.61 -0.34 0.00 -0.01 0.00 0.00 57.00 55.10 3knz n GLN 161 Cb 0.09 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.70 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 0.52 -3.00 -0.19 -1.09 6.02 -0.88 -4.84 117.38 113.93 3knz n GLN 162 Ca 0.14 0.36 0.06 0.00 -0.01 0.00 0.00 57.00 57.55 3knz n GLN 162 Cb 0.56 -4.90 0.16 0.00 1.02 0.00 0.00 30.24 27.08 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 -4.39 2.76 -3.62 -1.09 1.74 -0.26 -4.89 116.66 106.91 3knz n ARG 163 Ca -0.02 -2.07 -0.13 0.00 -0.77 0.00 0.00 57.85 54.86 3knz n ARG 163 Cb 0.54 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.56 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 -1.00 -0.34 0.00 0.55 2.96 -1.20 -4.93 118.68 114.72 3knz s LEU 164 Ca 0.25 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 3knz s LEU 164 Cb 0.13 0.76 0.04 0.00 0.50 0.00 0.00 46.19 47.62 3knz s LEU 164 CO 0.17 -0.25 0.30 -0.90 -1.32 0.00 0.00 176.35 174.35 3knz n ASP 165 N 5.35 0.99 0.12 3.68 5.68 -1.26 -4.53 116.55 126.57 3knz n ASP 165 Ca -0.06 -1.64 -0.14 0.00 -0.50 0.00 0.00 54.79 52.44 3knz n ASP 165 Cb 0.50 -0.15 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 3knz n ASP 165 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3knz h GLY 166 N 0.07 -0.85 0.50 6.12 0.00 -2.02 0.45 103.07 107.35 3knz h GLY 166 Ca -0.11 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3knz h GLY 166 CO 0.17 -0.27 -0.39 0.83 0.00 0.00 0.00 176.54 176.88 3knz h GLU 167 N -0.66 -0.83 -0.84 4.80 5.08 -1.97 0.14 114.58 120.30 3knz h GLU 167 Ca 0.02 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3knz h GLU 167 Cb 0.68 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 30.01 3knz h GLU 167 CO -0.24 -0.55 -0.57 1.96 -1.00 0.00 0.00 179.01 178.61 3knz h GLN 168 N -0.86 -0.10 -0.40 2.33 4.20 -1.95 1.52 115.11 119.85 3knz h GLN 168 Ca -0.07 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.72 3knz h GLN 168 Cb 0.72 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.43 3knz h GLN 168 CO 0.01 -0.07 -0.41 -0.09 -0.67 0.00 0.00 178.83 177.60 3knz h ARG 169 N -0.11 -0.30 -0.52 1.46 9.65 -0.81 -0.43 114.38 123.32 3knz h ARG 169 Ca 0.15 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 3knz h ARG 169 Cb 0.47 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 3knz h ARG 169 CO -0.85 -0.20 0.23 -0.09 2.80 0.00 0.00 179.97 181.86 3knz h ARG 170 N -0.31 0.74 -0.59 0.20 2.43 0.22 -1.43 114.38 115.64 3knz h ARG 170 Ca 0.14 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3knz h ARG 170 Cb 0.58 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3knz h ARG 170 CO -0.57 0.59 0.26 1.03 -1.51 0.00 0.00 179.97 179.77 3knz h SER 171 N 0.74 0.79 -0.28 -3.80 0.87 0.32 0.60 113.55 112.79 3knz h SER 171 Ca 0.18 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3knz h SER 171 Cb 0.11 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3knz h SER 171 CO -0.02 0.72 0.12 -0.07 -0.53 0.00 0.00 176.83 177.05 3knz h LEU 172 N 0.81 0.37 -1.03 2.23 3.38 -0.41 -2.21 115.31 118.45 3knz h LEU 172 Ca 0.20 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3knz h LEU 172 Cb 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3knz h LEU 172 CO -0.02 0.42 0.07 -0.07 0.09 0.00 0.00 178.44 178.93 3knz h LEU 173 N 0.30 0.72 -1.50 1.67 3.38 -1.09 -2.21 115.31 116.57 3knz h LEU 173 Ca 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3knz h LEU 173 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3knz h LEU 173 CO -0.01 0.75 -0.13 -0.07 0.09 0.00 0.00 178.44 179.06 3knz h LEU 174 N 0.73 0.14 -1.48 1.67 3.38 -0.61 0.14 115.31 119.28 3knz h LEU 174 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3knz h LEU 174 Cb 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3knz h LEU 174 CO 0.01 0.30 0.00 0.54 0.09 0.00 0.00 178.44 179.38 3knz n ARG 175 N -4.30 0.71 0.00 1.13 1.74 -0.83 -2.12 116.66 112.99 3knz n ARG 175 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3knz n ARG 175 Cb 0.25 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.39 0.00 -0.14 5.56 2.13 0.48 -2.29 120.64 126.76 3knz n GLU 177 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3knz n GLU 177 Cb 0.26 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.96 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 0.61 -0.81 5.31 3.64 -1.67 -0.49 116.57 123.17 3knz h LYS 178 Ca 0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3knz h LYS 178 Cb 0.00 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3knz h LYS 178 CO 0.00 0.59 0.47 1.15 -2.27 0.00 0.00 179.45 179.39 3knz h THR 179 N 0.51 1.23 -0.52 1.00 2.02 -1.74 -2.23 112.91 113.19 3knz h THR 179 Ca 0.13 -0.54 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 3knz h THR 179 Cb 0.21 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3knz h THR 179 CO -0.01 0.25 -0.04 -0.26 0.37 0.00 0.00 175.52 175.83 3knz h PHE 180 N 1.12 1.03 0.00 3.16 0.04 -1.78 -2.63 116.94 117.88 3knz h PHE 180 Ca 0.29 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3knz h PHE 180 Cb -0.01 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.88 3knz h PHE 180 CO -0.00 0.96 -0.05 -0.91 -0.60 0.00 0.00 178.31 177.71 3knz h ASN 181 N 0.80 0.00 0.03 2.17 2.35 -0.75 -2.28 115.58 117.90 3knz h ASN 181 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3knz h ASN 181 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3knz h ASN 181 CO 0.03 0.05 -0.12 1.41 -1.65 0.00 0.00 177.43 177.16 3knz n HIS 182 N -3.58 0.00 -0.04 1.19 8.25 -0.87 -4.38 115.22 115.79 3knz n HIS 182 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 3knz n HIS 182 Cb 0.16 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.27 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 2.88 0.79 -0.82 2.41 3.38 -1.16 -3.15 115.31 119.63 3knz h LEU 183 Ca 0.00 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.64 3knz h LEU 183 Cb 0.69 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 3knz h LEU 183 CO 0.00 1.17 0.48 -0.65 0.09 0.00 0.00 178.44 179.53 3knz h PRO 184 N 0.55 0.79 -0.38 1.13 0.11 -1.76 -0.01 132.00 132.43 3knz h PRO 184 Ca 0.02 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 3knz h PRO 184 Cb 1.11 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3knz h PRO 184 CO 0.11 0.52 -0.10 0.00 -0.21 0.00 0.00 178.00 178.33 3knz h ALA 185 N 1.44 1.12 -0.16 -0.75 0.00 -1.85 -2.71 119.26 116.35 3knz h ALA 185 Ca 0.39 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3knz h ALA 185 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3knz h ALA 185 CO -0.23 0.55 -0.35 1.25 0.00 0.00 0.00 179.25 180.47 3knz h LEU 186 N 0.60 0.34 -0.38 0.00 5.85 -1.17 -1.66 115.31 118.89 3knz h LEU 186 Ca 0.11 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 3knz h LEU 186 Cb 0.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3knz h LEU 186 CO 0.03 0.67 -0.24 0.58 -0.34 0.00 0.00 178.44 179.15 3knz h VAL 187 N 0.29 1.28 -0.21 1.05 2.07 -0.79 -0.70 116.25 119.23 3knz h VAL 187 Ca 0.03 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 3knz h VAL 187 Cb 0.75 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3knz h VAL 187 CO 0.06 0.46 0.00 0.74 0.02 0.00 0.00 177.57 178.85 3knz h THR 188 N 0.63 1.25 -0.56 2.57 2.02 -1.35 -1.13 112.91 116.35 3knz h THR 188 Ca 0.08 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3knz h THR 188 Cb 0.80 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3knz h THR 188 CO 0.07 0.27 0.28 0.00 0.37 0.00 0.00 175.52 176.50 3knz h ALA 189 N 0.79 1.44 -0.36 6.16 0.00 -1.27 -2.35 119.26 123.68 3knz h ALA 189 Ca 0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3knz h ALA 189 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3knz h ALA 189 CO 0.01 0.45 -0.35 0.77 0.00 0.00 0.00 179.25 180.13 3knz h SER 190 N 0.78 0.86 -0.04 0.00 0.02 -0.94 -2.07 113.55 112.16 3knz h SER 190 Ca 0.20 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3knz h SER 190 Cb 0.07 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3knz h SER 190 CO -0.03 1.13 0.02 -0.61 -1.14 0.00 0.00 176.83 176.20 3knz h GLN 191 N 0.68 0.06 -0.57 3.45 4.15 -0.71 0.22 115.11 122.39 3knz h GLN 191 Ca 0.06 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.53 3knz h GLN 191 Cb 0.91 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.54 3knz h GLN 191 CO 0.08 0.17 0.28 0.00 -1.93 0.00 0.00 178.83 177.44 3knz h ALA 192 N 0.89 0.74 -0.30 3.38 0.00 -1.43 -0.89 119.26 121.64 3knz h ALA 192 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3knz h ALA 192 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3knz h ALA 192 CO -0.00 -0.07 0.10 2.35 0.00 0.00 0.00 179.25 181.62 3knz h TRP 193 N 0.53 0.48 -0.83 0.00 7.01 -1.08 -1.06 115.95 121.01 3knz h TRP 193 Ca 0.26 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 3knz h TRP 193 Cb 0.20 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 3knz h TRP 193 CO -0.11 0.50 0.39 0.00 -2.79 0.00 0.00 178.44 176.43 3knz h ALA 194 N 0.93 1.13 -0.17 2.65 0.00 -0.14 -2.53 119.26 121.14 3knz h ALA 194 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3knz h ALA 194 Cb 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3knz h ALA 194 CO -0.00 0.65 -0.18 1.96 0.00 0.00 0.00 179.25 181.68 3knz h GLN 195 N 1.18 0.42 -0.83 0.00 4.20 -1.08 0.11 115.11 119.11 3knz h GLN 195 Ca 0.28 -0.23 0.10 0.00 0.06 0.00 0.00 58.65 58.87 3knz h GLN 195 Cb 0.12 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 3knz h GLN 195 CO -0.04 0.79 0.54 1.15 -0.67 0.00 0.00 178.83 180.61 3knz h THR 196 N 0.07 0.95 -0.45 -0.54 2.02 -1.03 -2.33 112.91 111.60 3knz h THR 196 Ca 0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3knz h THR 196 Cb 0.72 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3knz h THR 196 CO 0.04 0.14 0.00 0.59 0.37 0.00 0.00 175.52 176.67 3knz n ASN 197 N -4.52 3.40 0.22 4.18 3.02 -0.97 -4.68 115.26 115.91 3knz n ASN 197 Ca 0.14 -2.13 -0.15 0.00 -0.03 0.00 0.00 54.58 52.41 3knz n ASN 197 Cb 0.33 -0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 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 2.68 -0.76 -0.39 5.41 0.00 -0.19 -1.75 119.26 124.27 3knz h ALA 198 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3knz h ALA 198 Cb 0.92 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 3knz h ALA 198 CO 0.04 -0.97 -0.08 -0.07 0.00 0.00 0.00 179.25 178.18 3knz h LEU 199 N -0.73 -0.32 -0.18 0.00 3.38 -1.83 -1.74 115.31 113.88 3knz h LEU 199 Ca -0.02 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3knz h LEU 199 Cb 0.66 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3knz h LEU 199 CO -0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.32 3knz h ALA 200 N 1.38 0.13 -0.73 1.53 0.00 -1.84 -2.56 119.26 117.17 3knz h ALA 200 Ca 0.19 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3knz h ALA 200 Cb 0.28 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3knz h ALA 200 CO -0.38 -0.46 0.30 -0.07 0.00 0.00 0.00 179.25 178.63 3knz h LEU 201 N 0.03 0.99 -1.56 0.00 3.38 -0.93 -2.07 115.31 115.16 3knz h LEU 201 Ca 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3knz h LEU 201 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3knz h LEU 201 CO -0.16 0.88 0.00 0.03 0.09 0.00 0.00 178.44 179.28 3knz h ARG 202 N 1.06 0.28 0.00 1.13 3.08 -1.11 -2.26 114.38 116.57 3knz h ARG 202 Ca 0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3knz h ARG 202 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3knz h ARG 202 CO -0.02 0.31 0.00 -0.25 -1.07 0.00 0.00 179.97 178.94 3knz n ASP 203 N -4.38 0.50 -4.77 7.04 8.00 -0.78 -4.79 116.55 117.37 3knz n ASP 203 Ca -0.00 0.60 -0.39 0.00 0.71 0.00 0.00 54.79 55.72 3knz n ASP 203 Cb 0.18 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 3knz n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3knz s SER 204 N -3.93 7.43 0.18 -2.24 0.01 -0.85 -4.95 113.70 109.35 3knz s SER 204 Ca 0.07 1.93 -0.08 0.00 1.31 0.00 0.00 55.95 59.17 3knz s SER 204 Cb 0.11 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.80 3knz s SER 204 CO 0.41 0.00 1.59 0.00 0.41 0.00 0.00 173.24 175.65 3knz h ALA 205 N 3.61 0.76 -2.58 1.44 0.00 -1.76 -3.46 119.26 117.27 3knz h ALA 205 Ca -0.46 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.00 3knz h ALA 205 Cb 1.20 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 3knz h ALA 205 CO 0.66 0.67 -0.30 0.16 0.00 0.00 0.00 179.25 180.44 3knz s ASP 206 N -6.70 0.04 0.01 0.00 1.47 -1.26 -4.48 116.67 105.75 3knz s ASP 206 Ca -0.11 -0.62 0.08 0.00 1.18 0.00 0.00 52.55 53.09 3knz s ASP 206 Cb 0.13 0.38 -0.02 0.00 -0.34 0.00 0.00 42.92 43.07 3knz s ASP 206 CO 0.86 -0.78 -0.25 -0.63 0.68 0.00 0.00 175.17 175.05 3knz s ILE 207 N -3.87 1.99 -0.15 2.11 1.01 -0.47 -0.88 121.20 120.94 3knz s ILE 207 Ca 0.06 -1.19 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 3knz s ILE 207 Cb 0.04 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.87 3knz s ILE 207 CO -0.10 0.45 -0.07 -0.13 0.00 0.00 0.00 174.94 175.09 3knz s ARG 208 N -0.89 1.60 0.00 2.79 1.81 0.25 -2.08 118.95 122.44 3knz s ARG 208 Ca 0.10 -0.45 -0.08 0.00 -1.72 0.00 0.00 55.73 53.58 3knz s ARG 208 Cb -0.10 -1.90 -0.05 0.00 -0.45 0.00 0.00 34.95 32.45 3knz s ARG 208 CO 0.00 -0.35 0.28 -0.51 -0.68 0.00 0.00 175.30 174.04 3knz s LEU 209 N 1.63 4.38 0.05 2.53 1.43 0.12 -1.50 118.68 127.32 3knz s LEU 209 Ca 0.02 0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 3knz s LEU 209 Cb -0.14 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.47 3knz s LEU 209 CO -0.08 0.27 0.32 0.28 0.23 0.00 0.00 176.35 177.37 3knz s THR 210 N -1.26 0.08 0.12 5.49 -1.32 -0.58 -1.10 115.64 117.08 3knz s THR 210 Ca 0.26 -0.67 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 3knz s THR 210 Cb -0.13 -0.98 0.08 0.00 -1.51 0.00 0.00 72.50 69.96 3knz s THR 210 CO 0.15 -0.37 1.11 -0.83 -2.21 0.00 0.00 174.62 172.47 3knz s GLY 211 N -2.16 0.01 0.68 6.08 0.00 -1.19 -0.97 107.32 109.78 3knz s GLY 211 Ca -0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 44.72 44.37 3knz s GLY 211 CO -0.04 3.09 1.11 2.56 0.00 0.00 0.00 173.10 179.82 3knz s PRO 212 N -2.19 2.66 0.29 2.90 0.04 -1.26 -0.97 135.00 136.48 3knz s PRO 212 Ca 0.23 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.69 3knz s PRO 212 Cb -0.02 -1.93 0.73 0.00 0.04 0.00 0.00 34.50 33.32 3knz s PRO 212 CO 0.03 -1.35 1.70 0.00 0.04 0.00 0.00 177.00 177.42 3knz h ALA 213 N -0.18 1.46 -0.73 8.56 0.00 -1.96 0.12 119.26 126.53 3knz h ALA 213 Ca -0.46 0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.81 3knz h ALA 213 Cb 1.25 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3knz h ALA 213 CO 0.53 -0.31 0.64 1.79 0.00 0.00 0.00 179.25 181.90 3knz h THR 214 N 0.44 0.40 -0.35 0.00 1.35 -2.02 0.49 112.91 113.21 3knz h THR 214 Ca 0.56 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.28 3knz h THR 214 Cb 1.04 0.52 -0.08 0.00 -1.73 0.00 0.00 68.15 67.90 3knz h THR 214 CO -0.51 0.00 -0.01 0.18 -0.25 0.00 0.00 175.52 174.93 3knz n LEU 215 N -3.90 4.17 -0.30 3.87 4.77 0.43 -4.76 117.00 121.28 3knz n LEU 215 Ca 0.15 -3.50 -0.02 0.00 -0.03 0.00 0.00 56.01 52.61 3knz n LEU 215 Cb 0.90 -0.61 0.11 0.00 -2.33 0.00 0.00 43.42 41.48 3knz n LEU 215 CO 0.32 1.04 1.20 0.15 -1.33 0.00 0.00 177.39 178.77 3knz h PHE 216 N 1.26 0.98 -0.19 -1.77 3.57 -0.86 -1.10 116.94 118.83 3knz h PHE 216 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3knz h PHE 216 Cb 1.65 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 3knz h PHE 216 CO 0.87 0.55 -0.06 0.78 -2.23 0.00 0.00 178.31 178.22 3knz h GLY 217 N 1.01 0.31 0.89 2.40 0.00 -1.85 -1.65 103.07 104.17 3knz h GLY 217 Ca 0.33 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3knz h GLY 217 CO -0.12 0.16 -0.20 -0.84 0.00 0.00 0.00 176.54 175.53 3knz h THR 218 N 0.28 1.31 -0.06 4.70 2.02 -1.55 -0.45 112.91 119.16 3knz h THR 218 Ca 0.06 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.77 3knz h THR 218 Cb 0.29 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3knz h THR 218 CO 0.01 0.42 -0.54 -0.37 0.37 0.00 0.00 175.52 175.41 3knz h VAL 219 N 0.30 1.37 -0.20 3.16 -1.51 -1.22 -1.39 116.25 116.76 3knz h VAL 219 Ca 0.05 -1.84 -0.05 0.00 -1.23 0.00 0.00 66.70 63.62 3knz h VAL 219 Cb 0.75 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 3knz h VAL 219 CO 0.05 0.54 -0.07 1.56 -1.23 0.00 0.00 177.57 178.43 3knz h GLN 220 N 0.13 0.40 -0.46 5.19 1.08 -1.22 -0.05 115.11 120.19 3knz h GLN 220 Ca 0.00 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3knz h GLN 220 Cb 1.00 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 3knz h GLN 220 CO 0.08 0.67 0.21 1.49 -0.95 0.00 0.00 178.83 180.32 3knz h GLU 221 N 0.11 0.67 -0.33 1.46 4.57 -0.98 -1.33 114.58 118.75 3knz h GLU 221 Ca 0.05 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3knz h GLU 221 Cb 0.53 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3knz h GLU 221 CO 0.02 0.59 0.21 0.78 -1.18 0.00 0.00 179.01 179.43 3knz h GLY 222 N 0.60 0.46 0.61 1.92 0.00 -1.22 -1.30 103.07 104.14 3knz h GLY 222 Ca 0.16 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.38 3knz h GLY 222 CO -0.02 0.16 0.25 0.00 0.00 0.00 0.00 176.54 176.94 3knz h ALA 223 N 1.13 0.71 0.57 3.60 0.00 -0.75 -3.02 119.26 121.50 3knz h ALA 223 Ca 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3knz h ALA 223 Cb -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3knz h ALA 223 CO -0.04 -0.12 -0.27 1.25 0.00 0.00 0.00 179.25 180.08 3knz h LEU 224 N 0.48 -0.65 -1.60 0.00 5.85 -0.79 -0.15 115.31 118.45 3knz h LEU 224 Ca 0.26 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3knz h LEU 224 Cb 0.22 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3knz h LEU 224 CO -0.21 -0.40 0.00 0.29 -0.34 0.00 0.00 178.44 177.78 3knz n LYS 225 N -5.39 0.00 0.00 1.25 4.76 -0.53 -0.83 118.16 117.42 3knz n LYS 225 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 3knz n LYS 225 Cb 0.33 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.75 0.00 0.10 -0.35 7.94 -0.07 -0.90 117.00 124.47 3knz n LEU 227 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3knz n LEU 227 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3knz n LEU 227 CO 0.00 0.00 0.32 -0.08 -1.11 0.00 0.00 177.39 176.52 3knz h GLU 228 N 0.00 0.10 0.00 1.96 4.81 -1.23 -3.30 114.58 116.92 3knz h GLU 228 Ca 0.00 -0.10 -0.39 0.00 -0.13 0.00 0.00 59.36 58.74 3knz h GLU 228 Cb 0.00 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 3knz h GLU 228 CO 0.00 0.85 -2.29 2.41 -0.73 0.00 0.00 179.01 179.25 3knz n THR 229 N -3.65 1.30 0.30 0.32 -1.04 -0.07 -4.61 114.28 106.82 3knz n THR 229 Ca -0.02 -0.32 0.19 0.00 -2.04 0.00 0.00 64.05 61.87 3knz n THR 229 Cb 0.76 -1.83 0.89 0.00 -1.82 0.00 0.00 70.33 68.33 3knz n THR 229 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3knz h LEU 230 N -0.84 0.00 1.00 -4.42 3.38 -1.77 -3.47 115.31 109.18 3knz h LEU 230 Ca -0.59 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.11 3knz h LEU 230 Cb 1.51 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.28 3knz h LEU 230 CO -0.36 0.00 -0.39 0.54 0.09 0.00 0.00 178.44 178.33 3knz n ARG 231 N -3.08 -2.51 -3.74 1.13 5.12 -1.24 -4.95 116.66 107.38 3knz n ARG 231 Ca -0.01 0.63 -0.11 0.00 -1.93 0.00 0.00 57.85 56.43 3knz n ARG 231 Cb 0.22 -4.87 -0.07 0.00 -1.16 0.00 0.00 32.46 26.58 3knz n ARG 231 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knz n PRO 233 N 0.25 2.30 -4.38 0.00 -0.02 -1.26 -4.55 135.00 127.33 3knz n PRO 233 Ca -0.17 0.83 -0.22 0.00 -2.02 0.00 0.00 63.50 61.93 3knz n PRO 233 Cb 0.61 -2.74 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 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 4.37 0.82 0.03 -1.45 1.01 -1.26 -1.37 120.40 122.55 3knz s VAL 234 Ca 0.93 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.63 3knz s VAL 234 Cb -0.63 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3knz s VAL 234 CO 0.49 0.28 -0.11 -0.44 0.00 0.00 0.00 175.10 175.32 3knz s SER 235 N 0.62 1.30 -0.02 3.32 0.01 -0.88 -4.82 113.70 113.23 3knz s SER 235 Ca -0.11 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.79 3knz s SER 235 Cb -0.13 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 3knz s SER 235 CO 0.02 -0.03 -0.23 -0.83 0.41 0.00 0.00 173.24 172.58 3knz s GLY 236 N -1.12 1.36 0.05 3.44 0.00 -1.26 0.16 107.32 109.95 3knz s GLY 236 Ca -0.01 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 3knz s GLY 236 CO 0.01 -0.90 -0.03 -0.19 0.00 0.00 0.00 173.10 171.98 3knz s TYR 237 N -0.67 0.52 0.31 1.90 1.51 -0.26 -4.88 117.35 115.78 3knz s TYR 237 Ca 0.11 -0.99 -0.27 0.00 -1.01 0.00 0.00 57.07 54.91 3knz s TYR 237 Cb -0.10 -0.38 -0.10 0.00 -0.11 0.00 0.00 41.96 41.28 3knz s TYR 237 CO -0.00 -0.34 0.97 -2.00 -1.11 0.00 0.00 175.55 173.07 3knz s GLU 238 N -3.59 4.59 0.17 -0.62 -6.30 -1.26 -3.17 118.70 108.52 3knz s GLU 238 Ca 0.04 1.42 -0.21 0.00 -2.50 0.00 0.00 54.97 53.72 3knz s GLU 238 Cb 0.05 -2.90 0.09 0.00 0.00 0.00 0.00 34.13 31.38 3knz s GLU 238 CO -0.08 0.27 1.61 0.35 0.02 0.00 0.00 175.26 177.42 3knz h PHE 239 N 3.34 -0.78 -0.39 5.30 3.57 -1.38 -1.64 116.94 124.96 3knz h PHE 239 Ca -0.47 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 3knz h PHE 239 Cb 1.20 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 40.33 3knz h PHE 239 CO 0.61 -0.36 0.09 0.93 -2.23 0.00 0.00 178.31 177.35 3knz h GLU 240 N -0.20 0.57 -0.51 1.11 4.39 -1.93 -1.30 114.58 116.71 3knz h GLU 240 Ca 0.19 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3knz h GLU 240 Cb 0.52 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3knz h GLU 240 CO -0.55 0.53 0.20 1.49 -1.16 0.00 0.00 179.01 179.52 3knz h GLU 241 N 0.56 0.76 -0.74 2.33 4.57 -1.78 0.35 114.58 120.62 3knz h GLU 241 Ca 0.13 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3knz h GLU 241 Cb 0.22 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 3knz h GLU 241 CO -0.00 0.67 0.47 0.35 -1.18 0.00 0.00 179.01 179.32 3knz h PHE 242 N 0.68 0.88 -0.04 0.92 3.57 -0.60 0.16 116.94 122.50 3knz h PHE 242 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3knz h PHE 242 Cb 0.20 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3knz h PHE 242 CO 0.01 0.51 0.01 0.82 -2.23 0.00 0.00 178.31 177.42 3knz h ILE 243 N 0.92 1.20 -0.85 1.41 1.08 -0.90 0.20 117.51 120.57 3knz h ILE 243 Ca 0.30 -0.60 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 3knz h ILE 243 Cb 0.01 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 3knz h ILE 243 CO -0.11 0.16 0.56 -0.74 -0.69 0.00 0.00 178.15 177.34 3knz h HIS 244 N -0.17 1.03 -0.65 1.37 2.76 -0.48 -2.58 115.15 116.44 3knz h HIS 244 Ca 0.01 0.03 -0.37 0.00 -2.20 0.00 0.00 60.37 57.84 3knz h HIS 244 Cb 0.26 -0.35 -0.22 0.00 1.55 0.00 0.00 27.41 28.65 3knz h HIS 244 CO 0.01 0.61 0.18 0.41 -1.30 0.00 0.00 177.93 177.84 3knz n GLY 245 N -1.41 5.05 0.34 5.26 0.00 0.51 -4.77 105.19 110.18 3knz n GLY 245 Ca 0.11 -1.45 0.16 0.00 0.00 0.00 0.00 46.02 44.83 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 1.10 0.83 0.00 -0.61 6.09 -0.53 -1.17 117.51 123.23 3knz h ILE 246 Ca 0.40 -0.02 -0.19 0.00 -1.37 0.00 0.00 64.86 63.68 3knz h ILE 246 Cb 1.89 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.94 3knz h ILE 246 CO 0.77 0.01 -0.86 1.88 -3.07 0.00 0.00 178.15 176.89 3knz h TYR 247 N 0.06 0.22 0.00 2.19 0.05 -1.86 -2.34 116.97 115.30 3knz h TYR 247 Ca 0.18 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 3knz h TYR 247 Cb 0.66 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 3knz h TYR 247 CO -0.00 0.93 -0.87 -0.91 -1.05 0.00 0.00 178.16 176.26 3knz h ASN 248 N 0.08 0.00 -0.24 3.88 2.35 -1.84 -3.35 115.58 116.46 3knz h ASN 248 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3knz h ASN 248 Cb 1.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.85 3knz h ASN 248 CO 0.13 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 176.04 3knz n ALA 249 N -2.21 2.45 -3.52 -0.83 0.00 -0.48 -4.96 120.51 110.96 3knz n ALA 249 Ca -0.01 -0.81 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 3knz n ALA 249 Cb 0.61 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.71 -0.66 0.29 0.00 5.36 -0.88 -4.93 117.98 115.45 3knz s PHE 250 Ca 0.35 1.38 -0.00 0.00 -0.96 0.00 0.00 56.93 57.70 3knz s PHE 250 Cb 0.21 0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 43.18 3knz s PHE 250 CO 0.31 -0.47 0.33 0.54 -1.46 0.00 0.00 175.22 174.47 3knz s ASN 251 N -0.46 0.86 0.55 6.13 2.20 -1.26 -4.71 114.94 118.26 3knz s ASN 251 Ca -0.06 -1.49 0.26 0.00 -0.94 0.00 0.00 52.86 50.63 3knz s ASN 251 Cb -0.03 0.55 1.47 0.00 -2.00 0.00 0.00 41.25 41.25 3knz s ASN 251 CO 0.05 -1.10 2.04 0.00 -2.94 0.00 0.00 177.10 175.15 3knz h ALA 252 N 2.26 2.19 -0.10 3.54 0.00 -2.00 -1.82 119.26 123.33 3knz h ALA 252 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3knz h ALA 252 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3knz h ALA 252 CO 0.41 -0.47 0.00 1.04 0.00 0.00 0.00 179.25 180.23 3knz n GLN 253 N -4.14 1.91 -1.37 0.00 1.13 -1.26 -4.99 117.38 108.66 3knz n GLN 253 Ca 0.06 -1.79 -0.30 0.00 -1.94 0.00 0.00 57.00 53.02 3knz n GLN 253 Cb 0.46 -1.40 0.10 0.00 0.11 0.00 0.00 30.24 29.52 3knz n GLN 253 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3knz s SER 254 N -1.59 4.30 -0.04 1.08 0.01 -0.68 -2.28 113.70 114.49 3knz s SER 254 Ca 0.26 1.55 0.04 0.00 1.31 0.00 0.00 55.95 59.11 3knz s SER 254 Cb 0.17 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 64.12 3knz s SER 254 CO 0.25 -2.12 -0.18 0.00 0.41 0.00 0.00 173.24 171.61 3knz s ALA 255 N -3.00 1.55 -0.17 1.44 0.00 -0.06 -4.80 121.76 116.72 3knz s ALA 255 Ca 0.61 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 3knz s ALA 255 Cb -0.16 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3knz s ALA 255 CO 0.56 0.29 -0.05 -1.17 0.00 0.00 0.00 175.76 175.38 3knz s LEU 256 N 0.01 3.05 0.45 0.00 2.96 0.29 -0.58 118.68 124.86 3knz s LEU 256 Ca -0.03 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3knz s LEU 256 Cb -0.11 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3knz s LEU 256 CO 0.02 0.11 0.16 -0.63 -1.32 0.00 0.00 176.35 174.69 3knz s ILE 257 N 0.72 2.00 -0.06 6.68 1.01 -0.56 0.26 121.20 131.24 3knz s ILE 257 Ca -0.03 -1.76 -0.02 0.00 0.00 0.00 0.00 60.65 58.84 3knz s ILE 257 Cb -0.15 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.61 3knz s ILE 257 CO 0.02 0.00 0.10 -0.76 0.00 0.00 0.00 174.94 174.30 3knz s LEU 259 N -3.92 0.09 -0.64 2.97 1.43 -0.14 -1.52 118.68 116.95 3knz s LEU 259 Ca 0.34 0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 3knz s LEU 259 Cb 0.04 0.03 0.22 0.00 0.03 0.00 0.00 46.19 46.50 3knz s LEU 259 CO 0.19 -0.24 0.62 0.47 0.23 0.00 0.00 176.35 177.62 3knz n ASP 260 N 5.26 3.09 0.22 2.29 9.92 0.64 -4.35 116.55 133.62 3knz n ASP 260 Ca -0.05 -3.27 0.05 0.00 -0.53 0.00 0.00 54.79 50.99 3knz n ASP 260 Cb 0.50 -0.70 0.49 0.00 -0.64 0.00 0.00 41.12 40.77 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 4.67 0.00 -3.73 -0.24 0.13 -1.98 -3.37 132.00 127.48 3knz h PRO 261 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.21 3knz h PRO 261 Cb 0.72 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.69 3knz h PRO 261 CO 0.75 0.21 -0.40 1.14 -0.23 0.00 0.00 178.00 179.47 3knz s GLN 262 N -4.58 0.76 0.25 0.86 -2.07 -1.26 -4.65 119.66 108.98 3knz s GLN 262 Ca -0.04 -0.83 -0.31 0.00 -1.82 0.00 0.00 55.36 52.36 3knz s GLN 262 Cb 0.16 0.31 -0.13 0.00 -1.09 0.00 0.00 33.01 32.26 3knz s GLN 262 CO 0.70 -0.23 1.45 -2.30 -1.32 0.00 0.00 175.29 173.59 3knz n PRO 263 N 0.27 2.18 -3.69 9.60 -0.02 -1.26 -4.98 135.00 137.11 3knz n PRO 263 Ca -0.17 0.78 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 3knz n PRO 263 Cb 0.61 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 3knz n PRO 263 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3knz s ASP 264 N 0.35 0.62 0.23 2.55 -1.08 -1.26 -5.05 116.67 113.03 3knz s ASP 264 Ca 0.67 0.26 -0.08 0.00 -0.52 0.00 0.00 52.55 52.88 3knz s ASP 264 Cb -0.62 0.15 0.22 0.00 -1.46 0.00 0.00 42.92 41.21 3knz s ASP 264 CO 0.49 -0.22 1.90 0.00 0.52 0.00 0.00 175.17 177.86 3knz h ALA 265 N 8.10 1.15 -0.30 3.66 0.00 -1.99 -0.94 119.26 128.94 3knz h ALA 265 Ca -0.21 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3knz h ALA 265 Cb 1.12 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3knz h ALA 265 CO 0.22 0.57 -0.34 0.00 0.00 0.00 0.00 179.25 179.70 3knz h ARG 266 N 1.24 0.77 -0.42 0.00 3.08 -1.99 -1.48 114.38 115.58 3knz h ARG 266 Ca 0.33 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 3knz h ARG 266 Cb -0.12 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3knz h ARG 266 CO -0.07 1.05 -0.12 1.96 -1.07 0.00 0.00 179.97 181.71 3knz h GLN 267 N 0.53 0.83 -0.52 0.04 4.20 -1.95 -1.82 115.11 116.42 3knz h GLN 267 Ca 0.04 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.44 3knz h GLN 267 Cb 0.92 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 3knz h GLN 267 CO 0.08 0.95 0.32 -0.44 -0.67 0.00 0.00 178.83 179.08 3knz h ASP 268 N 0.65 0.53 -0.68 1.46 3.32 -1.16 -0.89 116.42 119.65 3knz h ASP 268 Ca 0.10 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3knz h ASP 268 Cb 0.66 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3knz h ASP 268 CO 0.05 0.38 0.38 -0.09 -1.72 0.00 0.00 179.24 178.24 3knz h ARG 269 N 0.64 0.94 0.30 3.56 2.43 -1.13 0.10 114.38 121.22 3knz h ARG 269 Ca 0.20 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3knz h ARG 269 Cb -0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3knz h ARG 269 CO -0.08 0.69 -0.14 1.25 -1.51 0.00 0.00 179.97 180.18 3knz h LEU 270 N 0.92 -0.34 -1.74 3.80 5.85 -0.97 -0.71 115.31 122.13 3knz h LEU 270 Ca 0.24 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3knz h LEU 270 Cb 0.02 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3knz h LEU 270 CO -0.04 -0.21 0.28 0.00 -0.34 0.00 0.00 178.44 178.13 3knz h ALA 271 N 0.27 1.98 -0.01 1.25 0.00 -0.90 0.99 119.26 122.84 3knz h ALA 271 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3knz h ALA 271 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3knz h ALA 271 CO 0.07 -0.05 -0.01 0.37 0.00 0.00 0.00 179.25 179.63 3knz h GLN 272 N 0.32 0.02 -0.04 0.00 4.15 -0.32 -2.03 115.11 117.21 3knz h GLN 272 Ca 0.18 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 3knz h GLN 272 Cb 0.31 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3knz h GLN 272 CO -0.04 0.47 -0.20 0.82 -1.93 0.00 0.00 178.83 177.96 3knz h ILE 273 N -0.44 1.47 -0.02 2.39 1.08 -0.75 -3.18 117.51 118.06 3knz h ILE 273 Ca 0.00 -1.67 -0.02 0.00 -0.39 0.00 0.00 64.86 62.78 3knz h ILE 273 Cb 0.47 2.44 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 3knz h ILE 273 CO 0.00 0.46 -0.09 0.25 -0.69 0.00 0.00 178.15 178.09 3knz h LEU 274 N -0.36 0.03 -2.28 1.44 5.85 -0.94 -1.29 115.31 117.76 3knz h LEU 274 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3knz h LEU 274 Cb 0.85 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3knz h LEU 274 CO 0.04 0.12 -0.02 1.23 -0.34 0.00 0.00 178.44 179.47 3knz h GLY 275 N 0.32 0.00 1.44 3.75 0.00 -1.34 -0.67 103.07 106.57 3knz h GLY 275 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3knz h GLY 275 CO 0.01 0.00 -0.29 1.18 0.00 0.00 0.00 176.54 177.44 3knz n GLU 276 N -3.17 0.03 -0.05 4.80 1.02 -0.49 -3.89 120.64 118.89 3knz n GLU 276 Ca -0.02 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3knz n GLU 276 Cb 0.18 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.58 0.00 -3.69 -0.32 7.02 -0.50 -5.03 117.44 113.34 3knz n TRP 277 Ca 0.06 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.40 3knz n TRP 277 Cb 0.35 -0.58 -0.08 0.00 -2.42 0.00 0.00 31.31 28.58 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 -2.50 0.02 -1.44 -0.99 -1.32 -0.38 -5.04 115.64 103.99 3knz s THR 278 Ca -0.06 -0.15 0.27 0.00 -1.21 0.00 0.00 61.69 60.54 3knz s THR 278 Cb 0.05 -0.71 0.26 0.00 -1.51 0.00 0.00 72.50 70.59 3knz s THR 278 CO 0.56 -0.08 1.67 -0.81 -2.21 0.00 0.00 174.62 173.75 3knz n PRO 279 N 1.98 0.47 -1.25 7.08 -0.04 -1.26 -4.08 135.00 137.90 3knz n PRO 279 Ca -0.17 -0.22 -0.30 0.00 -0.04 0.00 0.00 63.50 62.77 3knz n PRO 279 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.07 7.59 -4.14 3.54 7.64 -1.26 -4.84 113.62 121.07 3knz n SER 280 Ca 0.11 -2.59 -0.31 0.00 1.01 0.00 0.00 58.87 57.09 3knz n SER 280 Cb 0.32 -1.50 -0.17 0.00 -1.01 0.00 0.00 64.21 61.86 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 1.51 1.88 -0.18 0.44 1.01 -1.26 -0.54 121.20 124.06 3knz s ILE 281 Ca 0.68 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3knz s ILE 281 Cb 0.23 -1.67 0.04 0.00 0.01 0.00 0.00 42.46 41.07 3knz s ILE 281 CO -0.05 0.52 -0.07 -0.31 0.00 0.00 0.00 174.94 175.03 3knz s TYR 282 N 0.79 2.00 -0.07 3.97 1.51 0.14 -4.70 117.35 120.99 3knz s TYR 282 Ca -0.09 -1.30 -0.01 0.00 -1.01 0.00 0.00 57.07 54.66 3knz s TYR 282 Cb -0.16 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 3knz s TYR 282 CO -0.00 -0.67 0.01 1.03 -1.11 0.00 0.00 175.55 174.81 3knz s ARG 283 N 1.53 2.96 -0.23 -0.62 0.52 -1.26 -4.13 118.95 117.72 3knz s ARG 283 Ca -0.00 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 3knz s ARG 283 Cb -0.16 -2.78 0.05 0.00 0.52 0.00 0.00 34.95 32.58 3knz s ARG 283 CO -0.08 0.69 -0.13 0.42 0.02 0.00 0.00 175.30 176.21 3knz s ILE 284 N -0.95 2.09 0.00 1.52 1.01 -1.26 0.20 121.20 123.82 3knz s ILE 284 Ca 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.41 3knz s ILE 284 Cb -0.11 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.24 3knz s ILE 284 CO 0.05 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3knz n GLY 285 N 4.51 0.15 0.18 6.18 0.00 -0.99 -0.26 105.19 114.96 3knz n GLY 285 Ca -0.16 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.72 -2.66 132.00 129.36 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 0.00 -0.06 1.04 -0.23 0.00 0.00 178.00 178.75 3knz n GLN 287 N -2.70 1.59 -1.85 0.86 6.02 -1.26 -4.58 117.38 115.46 3knz n GLN 287 Ca 0.04 -1.54 -0.33 0.00 -0.01 0.00 0.00 57.00 55.15 3knz n GLN 287 Cb 0.41 -0.98 0.04 0.00 1.02 0.00 0.00 30.24 30.73 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 -1.20 3.29 0.35 5.09 -7.23 -1.25 -4.93 120.40 114.52 3knz s VAL 288 Ca 0.09 0.62 -0.28 0.00 -1.81 0.00 0.00 61.98 60.59 3knz s VAL 288 Cb 0.08 -3.15 -0.11 0.00 0.56 0.00 0.00 36.38 33.75 3knz s VAL 288 CO 0.01 -0.35 1.50 1.21 -0.31 0.00 0.00 175.10 177.16 3knz n GLU 289 N -2.24 2.65 -1.76 4.82 2.13 -1.26 -4.80 120.64 120.18 3knz n GLU 289 Ca 0.10 0.93 -0.38 0.00 0.66 0.00 0.00 57.16 58.48 3knz n GLU 289 Cb 0.52 -2.66 -0.02 0.00 0.27 0.00 0.00 31.44 29.54 3knz n GLU 289 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3knz n ASN 290 N 0.88 8.02 -4.09 4.31 5.15 -1.26 -4.63 115.26 123.64 3knz n ASN 290 Ca 0.03 -2.99 -0.22 0.00 -0.60 0.00 0.00 54.58 50.80 3knz n ASN 290 Cb 0.38 -1.40 0.13 0.00 -0.53 0.00 0.00 39.78 38.36 3knz n ASN 290 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3knz n ASN 291 N 2.13 0.85 0.19 1.20 0.23 -1.26 -5.00 115.26 113.60 3knz n ASN 291 Ca 0.65 -1.83 0.06 0.00 -0.53 0.00 0.00 54.58 52.93 3knz n ASN 291 Cb 0.29 -0.69 0.34 0.00 -2.08 0.00 0.00 39.78 37.64 3knz n ASN 291 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3knz h GLY 292 N -0.87 0.00 1.13 4.83 0.00 -2.01 -3.28 103.07 102.87 3knz h GLY 292 Ca -0.33 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.76 3knz h GLY 292 CO 0.30 0.00 -0.98 1.41 0.00 0.00 0.00 176.54 177.28 3knz h LEU 293 N 0.00 0.84-10.33 3.11 3.38 -1.94 -3.45 115.31 106.93 3knz h LEU 293 Ca -0.00 -0.75 -0.50 0.00 0.09 0.00 0.00 57.88 56.71 3knz h LEU 293 Cb 0.90 -0.26 0.06 0.00 0.09 0.00 0.00 40.66 41.46 3knz h LEU 293 CO 0.05 1.48 0.40 0.20 0.09 0.00 0.00 178.44 180.66 3knz s ASN 294 N -7.20 6.11 -0.74 -0.43 0.01 -1.24 -4.46 114.94 106.98 3knz s ASN 294 Ca -0.10 1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 53.49 3knz s ASN 294 Cb 0.06 -2.48 0.19 0.00 0.41 0.00 0.00 41.25 39.43 3knz s ASN 294 CO 0.90 -0.95 0.60 -0.22 -1.51 0.00 0.00 177.10 175.93 3knz s LEU 295 N -5.07 5.66 -0.06 0.60 2.96 0.13 -4.78 118.68 118.13 3knz s LEU 295 Ca 0.56 -3.04 -0.27 0.00 -0.22 0.00 0.00 54.13 51.17 3knz s LEU 295 Cb -0.12 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3knz s LEU 295 CO 0.50 -0.37 0.87 0.21 -1.32 0.00 0.00 176.35 176.25 3knz s ASN 296 N 0.83 7.17 -0.27 3.68 3.84 -1.26 -2.34 114.94 126.58 3knz s ASN 296 Ca 0.20 1.42 -0.23 0.00 0.21 0.00 0.00 52.86 54.46 3knz s ASN 296 Cb -0.15 -2.50 0.07 0.00 -0.55 0.00 0.00 41.25 38.12 3knz s ASN 296 CO -0.06 -0.26 0.72 0.12 -2.79 0.00 0.00 177.10 174.83 3knz s PHE 297 N 1.25 -0.84 -1.19 0.43 5.36 -1.00 -5.00 117.98 116.99 3knz s PHE 297 Ca 0.45 1.96 -0.22 0.00 -0.96 0.00 0.00 56.93 58.16 3knz s PHE 297 Cb -0.19 0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.81 3knz s PHE 297 CO 0.21 -0.41 1.87 -1.25 -1.46 0.00 0.00 175.22 174.18 3knz s PRO 298 N 0.67 2.93 0.45 10.12 0.04 -1.26 -3.46 135.00 144.48 3knz s PRO 298 Ca -0.02 -1.32 -0.24 0.00 0.04 0.00 0.00 61.00 59.47 3knz s PRO 298 Cb -0.05 -5.31 -0.07 0.00 0.04 0.00 0.00 34.50 29.10 3knz s PRO 298 CO -0.04 -3.42 1.22 -0.06 0.04 0.00 0.00 177.00 174.74 3knz s PHE 299 N 8.94 2.82 0.47 0.56 0.08 -1.26 -4.90 117.98 124.69 3knz s PHE 299 Ca 0.64 1.50 0.15 0.00 0.12 0.00 0.00 56.93 59.33 3knz s PHE 299 Cb 0.00 -3.49 1.10 0.00 -0.57 0.00 0.00 43.02 40.06 3knz s PHE 299 CO 0.10 -1.76 2.05 0.28 -0.10 0.00 0.00 175.22 175.79 3knz h VAL 300 N 1.99 1.08 -6.48 -0.44 2.07 -1.96 -3.47 116.25 109.05 3knz h VAL 300 Ca -0.49 -0.37 -0.50 0.00 0.82 0.00 0.00 66.70 66.16 3knz h VAL 300 Cb 1.25 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 3knz h VAL 300 CO 0.61 0.11 -0.82 0.59 0.02 0.00 0.00 177.57 178.07 3knz n ASN 301 N -4.41 -2.87 -4.69 0.57 4.13 -1.26 -4.92 115.26 101.81 3knz n ASN 301 Ca -0.03 -0.92 -0.42 0.00 1.68 0.00 0.00 54.58 54.90 3knz n ASN 301 Cb 0.18 -3.32 -0.03 0.00 -1.54 0.00 0.00 39.78 35.07 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 -3.66 6.84 0.63 6.41 -1.08 -1.26 -4.86 116.67 119.69 3knz s ASP 302 Ca 0.47 2.12 0.27 0.00 -0.52 0.00 0.00 52.55 54.89 3knz s ASP 302 Cb -0.25 -2.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.06 3knz s ASP 302 CO 0.88 -0.73 1.81 1.05 0.52 0.00 0.00 175.17 178.70 3knz h GLU 303 N 7.86 0.00 0.00 4.34 9.09 -2.01 0.21 114.58 134.07 3knz h GLU 303 Ca -0.38 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.76 3knz h GLU 303 Cb 1.18 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.23 3knz h GLU 303 CO 0.90 0.00 -2.04 -0.25 0.05 0.00 0.00 179.01 177.68 3knz n ASP 304 N -3.25 2.13 -0.77 3.06 8.00 -1.26 -4.72 116.55 119.73 3knz n ASP 304 Ca 0.04 -0.06 0.07 0.00 0.71 0.00 0.00 54.79 55.55 3knz n ASP 304 Cb 0.62 0.14 0.16 0.00 -0.02 0.00 0.00 41.12 42.01 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 -2.86 0.43 0.30 1.24 3.72 -0.74 -4.30 117.46 115.26 3knz n PHE 305 Ca -0.29 -0.35 0.19 0.00 -0.05 0.00 0.00 57.45 56.94 3knz n PHE 305 Cb 0.90 -0.01 0.95 0.00 -0.94 0.00 0.00 39.48 40.38 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 2.73 1.00 -0.19 4.37 0.00 -0.90 -1.74 119.26 124.53 3knz h ALA 306 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3knz h ALA 306 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3knz h ALA 306 CO 0.00 0.00 0.14 -0.39 0.00 0.00 0.00 179.25 179.00 3knz h VAL 307 N 0.00 0.86 0.00 0.00 -1.51 -1.83 0.16 116.25 113.93 3knz h VAL 307 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3knz h VAL 307 Cb 0.13 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3knz h VAL 307 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3knz n PHE 308 N -4.41 0.13 -0.12 5.19 3.72 -0.65 -3.97 117.46 117.35 3knz n PHE 308 Ca 0.02 0.05 -0.24 0.00 -0.05 0.00 0.00 57.45 57.22 3knz n PHE 308 Cb 0.28 -0.57 -0.08 0.00 -0.94 0.00 0.00 39.48 38.17 3knz n PHE 308 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3knz n GLU 309 N -1.61 0.50 0.19 -1.08 1.02 0.50 -4.59 120.64 115.57 3knz n GLU 309 Ca 0.05 0.22 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 3knz n GLU 309 Cb 0.24 -1.33 0.68 0.00 -0.02 0.00 0.00 31.44 31.01 3knz n GLU 309 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3knz h TYR 310 N -0.85 0.00 0.00 -0.32 0.05 -1.57 -1.81 116.97 112.47 3knz h TYR 310 Ca -0.56 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.10 3knz h TYR 310 Cb 1.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.20 3knz h TYR 310 CO -0.10 0.00 -0.90 0.97 -1.05 0.00 0.00 178.16 177.08 3knz h ILE 311 N 0.00 0.60 -0.14 -2.88 6.09 -1.82 -3.39 117.51 115.97 3knz h ILE 311 Ca 0.00 -1.96 0.04 0.00 -1.37 0.00 0.00 64.86 61.56 3knz h ILE 311 Cb 0.10 2.16 -0.04 0.00 0.47 0.00 0.00 36.82 39.51 3knz h ILE 311 CO 0.00 0.34 -0.09 0.40 -3.07 0.00 0.00 178.15 175.73 3knz h ILE 312 N 0.00 0.73 -0.64 2.19 2.04 -1.57 -1.04 117.51 119.21 3knz h ILE 312 Ca -0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3knz h ILE 312 Cb 1.42 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3knz h ILE 312 CO 0.05 0.00 0.43 -0.65 0.00 0.00 0.00 178.15 177.97 3knz h PRO 313 N -0.09 0.76 -0.35 2.37 0.11 -1.75 -1.86 132.00 131.20 3knz h PRO 313 Ca 0.08 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 3knz h PRO 313 Cb 0.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3knz h PRO 313 CO -0.19 0.50 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.00 3knz h LEU 314 N 0.78 0.63 -2.44 2.35 3.38 -1.63 -2.19 115.31 116.19 3knz h LEU 314 Ca 0.25 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3knz h LEU 314 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3knz h LEU 314 CO -0.07 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.27 3knz n GLN 315 N -4.47 0.10 0.00 1.13 6.02 -0.44 -3.19 117.38 116.53 3knz n GLN 315 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3knz n GLN 315 Cb 0.30 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 1.18 0.00 0.00 1.08 4.77 -0.82 -2.40 117.00 120.80 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 0.05 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.37 3knz n LEU 317 CO 0.00 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 176.86 3knz h ALA 319 N 1.36 0.82 0.00 0.00 0.00 -1.80 -3.40 119.26 116.25 3knz h ALA 319 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3knz h ALA 319 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3knz h ALA 319 CO 0.04 0.63 -1.09 0.44 0.00 0.00 0.00 179.25 179.26 3knz n ILE 320 N -3.44 0.03 -0.22 0.00 -6.64 -1.15 -4.81 119.36 103.14 3knz n ILE 320 Ca 0.00 -0.05 -0.09 0.00 -1.77 0.00 0.00 62.75 60.85 3knz n ILE 320 Cb 0.63 0.04 0.03 0.00 -1.44 0.00 0.00 39.64 38.90 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 1.04 0.00 7.28 3.38 -1.29 -3.50 115.31 122.22 3knz h LEU 321 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3knz h LEU 321 Cb 0.38 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3knz h LEU 321 CO 0.00 1.07 0.00 -2.65 0.09 0.00 0.00 178.44 176.95