#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkz n LEU 13 N 0.00 0.31 0.36 -4.62 -0.00 -1.26 -3.86 117.00 107.93 3kkz n LEU 13 Ca 0.00 -0.02 -0.17 0.00 -0.00 0.00 0.00 56.01 55.82 3kkz n LEU 13 Cb 0.00 -0.09 -0.08 0.00 -0.00 0.00 0.00 43.42 43.25 3kkz n LEU 13 CO 0.00 0.05 0.53 -1.13 -0.00 0.00 0.00 177.39 176.85 3kkz h ASN 14 N 0.46 -0.78 0.65 1.45 -1.24 -2.06 -2.70 115.58 111.35 3kkz h ASN 14 Ca 0.00 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.92 3kkz h ASN 14 Cb 0.20 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 3kkz h ASN 14 CO 0.00 -0.47 -0.40 -0.07 -1.29 0.00 0.00 177.43 175.20 3kkz h LEU 15 N -1.07 0.00 -0.27 0.34 3.38 -2.01 -3.22 115.31 112.47 3kkz h LEU 15 Ca -0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3kkz h LEU 15 Cb 0.74 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 3kkz h LEU 15 CO 0.15 0.40 -0.13 0.40 0.09 0.00 0.00 178.44 179.36 3kkz h ILE 16 N 0.00 0.59 -0.21 1.22 2.04 -1.63 0.72 117.51 120.24 3kkz h ILE 16 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 3kkz h ILE 16 Cb 0.84 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3kkz h ILE 16 CO 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.17 3kkz h ASP 18 N 0.02 -0.15 0.05 0.00 1.82 -1.17 0.53 116.42 117.51 3kkz h ASP 18 Ca 0.10 0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.82 3kkz h ASP 18 Cb 0.14 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 3kkz h ASP 18 CO -0.19 -0.04 -0.09 0.15 -1.61 0.00 0.00 179.24 177.45 3kkz h PHE 19 N 0.05 -0.24 0.00 0.28 3.04 0.68 -3.09 116.94 117.66 3kkz h PHE 19 Ca 0.13 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3kkz h PHE 19 Cb 0.18 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.79 3kkz h PHE 19 CO -0.23 -0.14 -0.21 1.19 -2.02 0.00 0.00 178.31 176.90 3kkz n PHE 20 N -5.21 0.15 0.33 0.41 3.72 -0.51 -3.68 117.46 112.68 3kkz n PHE 20 Ca -0.06 0.04 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3kkz n PHE 20 Cb 0.14 -0.49 0.53 0.00 -0.94 0.00 0.00 39.48 38.72 3kkz n PHE 20 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kkz n SER 21 N -1.64 0.68 -3.63 4.37 7.64 0.16 -4.78 113.62 116.42 3kkz n SER 21 Ca 0.06 0.70 -0.41 0.00 1.01 0.00 0.00 58.87 60.23 3kkz n SER 21 Cb 0.36 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 3kkz n SER 21 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kkz n ASN 22 N -2.29 7.29 -0.01 6.43 5.03 -1.24 -5.10 115.26 125.37 3kkz n ASN 22 Ca 0.01 -3.30 0.00 0.00 0.87 0.00 0.00 54.58 52.16 3kkz n ASN 22 Cb 0.18 -1.32 -0.02 0.00 -1.02 0.00 0.00 39.78 37.60 3kkz n ASN 22 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kkz n GLU 24 N 1.55 1.50 -4.10 3.52 1.02 -1.26 -4.75 120.64 118.12 3kkz n GLU 24 Ca 0.52 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.51 3kkz n GLU 24 Cb 0.27 -1.07 -0.11 0.00 -0.02 0.00 0.00 31.44 30.52 3kkz n GLU 24 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kkz s ARG 25 N -2.14 0.63 -0.00 3.49 1.81 -1.26 -3.63 118.95 117.84 3kkz s ARG 25 Ca -0.01 -0.90 0.07 0.00 -1.72 0.00 0.00 55.73 53.17 3kkz s ARG 25 Cb 0.01 -0.34 0.21 0.00 -0.45 0.00 0.00 34.95 34.38 3kkz s ARG 25 CO 0.11 0.05 1.17 1.04 -0.68 0.00 0.00 175.30 177.00 3kkz n GLN 26 N 1.12 2.91 -3.93 3.54 3.00 -1.26 -5.01 117.38 117.75 3kkz n GLN 26 Ca -0.20 -1.88 -0.09 0.00 -0.01 0.00 0.00 57.00 54.82 3kkz n GLN 26 Cb 0.56 -1.19 -0.03 0.00 0.00 0.00 0.00 30.24 29.59 3kkz n GLN 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3kkz s GLY 27 N -1.02 0.44 0.46 1.08 0.00 -1.26 -5.13 107.32 101.89 3kkz s GLY 27 Ca 0.16 -0.77 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 3kkz s GLY 27 CO 0.10 -0.45 1.39 -4.14 0.00 0.00 0.00 173.10 170.00 3kkz s PRO 28 N -3.52 3.65 0.00 2.90 0.02 -1.26 -4.83 135.00 131.97 3kkz s PRO 28 Ca 0.19 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3kkz s PRO 28 Cb -0.03 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3kkz s PRO 28 CO 0.10 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3kkz n GLY 29 N 0.61 -2.11 3.50 0.52 0.00 -0.96 -4.80 105.19 101.95 3kkz n GLY 29 Ca 0.06 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 3kkz n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kkz s SER 30 N -1.53 -0.39 0.25 1.61 1.04 -1.26 -4.47 113.70 108.95 3kkz s SER 30 Ca 0.00 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 3kkz s SER 30 Cb 0.00 0.41 0.27 0.00 0.10 0.00 0.00 66.02 66.79 3kkz s SER 30 CO 0.00 -0.65 1.93 -0.65 0.98 0.00 0.00 173.24 174.85 3kkz h PRO 31 N 2.03 1.32 -0.96 4.02 0.11 -1.99 -1.50 132.00 135.03 3kkz h PRO 31 Ca -0.23 -0.08 0.08 0.00 0.11 0.00 0.00 66.00 65.88 3kkz h PRO 31 Cb 1.24 -0.30 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 3kkz h PRO 31 CO 0.32 0.87 0.60 0.93 -0.21 0.00 0.00 178.00 180.51 3kkz h GLU 32 N 1.35 1.01 -0.20 1.05 3.07 -1.99 -0.67 114.58 118.21 3kkz h GLU 32 Ca 0.37 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 3kkz h GLU 32 Cb -0.14 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.54 3kkz h GLU 32 CO -0.09 0.67 -0.40 0.28 -1.40 0.00 0.00 179.01 178.08 3kkz h VAL 33 N 1.04 1.33 -0.54 3.13 2.07 -1.78 -0.12 116.25 121.38 3kkz h VAL 33 Ca 0.44 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3kkz h VAL 33 Cb 0.28 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3kkz h VAL 33 CO -0.21 0.51 0.29 0.74 0.02 0.00 0.00 177.57 178.92 3kkz h THR 34 N 0.31 0.98 -0.14 2.57 2.02 -0.94 -1.23 112.91 116.48 3kkz h THR 34 Ca 0.01 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.87 3kkz h THR 34 Cb 1.00 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3kkz h THR 34 CO 0.09 0.10 -0.45 -0.07 0.37 0.00 0.00 175.52 175.56 3kkz h LEU 35 N 0.57 0.37 -0.53 2.58 3.38 -1.04 -1.58 115.31 119.05 3kkz h LEU 35 Ca 0.23 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3kkz h LEU 35 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3kkz h LEU 35 CO -0.15 0.77 0.13 0.50 0.09 0.00 0.00 178.44 179.78 3kkz h LYS 36 N 0.28 0.85 -0.38 1.13 1.63 -0.58 -0.65 116.57 118.85 3kkz h LYS 36 Ca 0.02 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3kkz h LYS 36 Cb 0.91 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.41 3kkz h LYS 36 CO 0.08 0.80 0.24 0.00 -3.45 0.00 0.00 179.45 177.12 3kkz h ALA 37 N 1.01 0.48 -0.26 5.00 0.00 -1.08 -2.57 119.26 121.84 3kkz h ALA 37 Ca 0.17 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kkz h ALA 37 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kkz h ALA 37 CO 0.00 -0.04 0.18 1.25 0.00 0.00 0.00 179.25 180.63 3kkz h LEU 38 N 0.50 0.25 -1.34 0.00 6.46 -0.97 -2.34 115.31 117.87 3kkz h LEU 38 Ca 0.14 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 3kkz h LEU 38 Cb -0.03 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 3kkz h LEU 38 CO -0.03 0.18 0.00 0.77 -0.62 0.00 0.00 178.44 178.74 3kkz h SER 39 N 0.30 0.00 0.04 1.25 4.64 -0.69 -1.54 113.55 117.54 3kkz h SER 39 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3kkz h SER 39 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3kkz h SER 39 CO -0.02 0.00 -0.12 0.49 -0.87 0.00 0.00 176.83 176.30 3kkz n PHE 40 N -2.37 0.00 -3.50 4.77 3.72 -0.88 -4.85 117.46 114.35 3kkz n PHE 40 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3kkz n PHE 40 Cb 0.11 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.52 3kkz n PHE 40 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3kkz s ILE 41 N -2.18 5.25 -0.55 4.37 1.01 -0.58 -4.94 121.20 123.57 3kkz s ILE 41 Ca 0.30 -0.46 0.14 0.00 0.00 0.00 0.00 60.65 60.63 3kkz s ILE 41 Cb 0.20 -3.81 0.42 0.00 0.01 0.00 0.00 42.46 39.28 3kkz s ILE 41 CO 0.40 -0.17 1.34 -0.90 0.00 0.00 0.00 174.94 175.62 3kkz n ASP 42 N 5.13 3.42 0.00 3.58 5.68 -1.26 -4.60 116.55 128.51 3kkz n ASP 42 Ca -0.12 -2.51 0.11 0.00 -0.50 0.00 0.00 54.79 51.77 3kkz n ASP 42 Cb 0.48 -0.39 -0.11 0.00 -1.14 0.00 0.00 41.12 39.96 3kkz n ASP 42 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kkz n ASN 43 N 0.01 0.57 -4.82 -1.12 4.13 -1.26 -5.04 115.26 107.73 3kkz n ASN 43 Ca 0.16 -0.50 -0.35 0.00 1.68 0.00 0.00 54.58 55.58 3kkz n ASN 43 Cb 0.66 1.32 -0.06 0.00 -1.54 0.00 0.00 39.78 40.16 3kkz n ASN 43 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kkz s LEU 44 N -3.71 4.19 0.34 3.41 1.43 -1.26 -5.02 118.68 118.05 3kkz s LEU 44 Ca 0.02 1.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.62 3kkz s LEU 44 Cb 0.15 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 3kkz s LEU 44 CO 0.87 -0.12 0.35 0.42 0.23 0.00 0.00 176.35 178.11 3kkz s THR 45 N -1.78 0.00 0.55 5.49 -4.23 -1.26 -5.01 115.64 109.39 3kkz s THR 45 Ca 0.50 -1.85 0.42 0.00 -1.18 0.00 0.00 61.69 59.58 3kkz s THR 45 Cb -0.14 -2.56 0.43 0.00 1.34 0.00 0.00 72.50 71.57 3kkz s THR 45 CO 0.19 0.00 2.29 -0.08 -0.54 0.00 0.00 174.62 176.48 3kkz h GLU 46 N 2.12 0.00 -0.02 3.99 4.81 -1.98 -1.45 114.58 122.05 3kkz h GLU 46 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3kkz h GLU 46 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3kkz h GLU 46 CO 0.37 0.00 -0.07 1.63 -0.73 0.00 0.00 179.01 180.21 3kkz n LYS 47 N -3.06 1.71 -2.08 1.92 4.76 -1.26 -4.22 118.16 115.93 3kkz n LYS 47 Ca -0.02 -1.19 -0.38 0.00 -2.87 0.00 0.00 58.31 53.85 3kkz n LYS 47 Cb 0.11 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3kkz n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3kkz s SER 48 N -2.11 6.07 -0.16 4.39 0.01 -0.55 -4.90 113.70 116.46 3kkz s SER 48 Ca 0.32 2.55 -0.03 0.00 1.31 0.00 0.00 55.95 60.10 3kkz s SER 48 Cb 0.20 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3kkz s SER 48 CO 0.37 -1.00 -0.06 -0.76 0.41 0.00 0.00 173.24 172.20 3kkz s LEU 49 N -2.83 3.06 -0.02 2.44 1.43 -1.26 -1.80 118.68 119.70 3kkz s LEU 49 Ca 0.62 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3kkz s LEU 49 Cb -0.35 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3kkz s LEU 49 CO 0.44 0.13 -0.16 -0.63 0.23 0.00 0.00 176.35 176.35 3kkz s ILE 50 N 0.59 1.31 -0.01 -0.59 1.01 0.05 -0.47 121.20 123.09 3kkz s ILE 50 Ca -0.04 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3kkz s ILE 50 Cb -0.15 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3kkz s ILE 50 CO 0.03 0.37 -0.20 0.00 0.00 0.00 0.00 174.94 175.14 3kkz s ALA 51 N -0.29 1.66 -0.28 9.38 0.00 -0.42 -0.66 121.76 131.15 3kkz s ALA 51 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kkz s ALA 51 Cb -0.07 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.69 3kkz s ALA 51 CO -0.00 0.40 -0.05 0.34 0.00 0.00 0.00 175.76 176.46 3kkz s ASP 52 N -0.56 4.68 -0.15 0.00 2.15 0.21 0.25 116.67 123.25 3kkz s ASP 52 Ca 0.08 -1.30 -0.13 0.00 0.43 0.00 0.00 52.55 51.64 3kkz s ASP 52 Cb -0.08 -1.65 -0.05 0.00 -0.30 0.00 0.00 42.92 40.85 3kkz s ASP 52 CO -0.00 -0.23 0.26 -0.63 -0.17 0.00 0.00 175.17 174.40 3kkz s ILE 53 N 1.20 5.32 -0.86 4.11 1.01 0.86 -0.73 121.20 132.12 3kkz s ILE 53 Ca -0.06 0.47 -0.04 0.00 0.00 0.00 0.00 60.65 61.03 3kkz s ILE 53 Cb -0.20 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3kkz s ILE 53 CO -0.03 0.44 0.74 0.61 0.00 0.00 0.00 174.94 176.69 3kkz n GLY 54 N 3.13 -0.06 0.08 6.18 0.00 0.11 -4.41 105.19 110.23 3kkz n GLY 54 Ca -0.14 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3kkz n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkz n GLY 56 N 0.22 2.87 0.00 0.00 0.00 -1.26 -1.30 105.19 105.72 3kkz n GLY 56 Ca 0.03 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3kkz n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kkz n THR 57 N 0.00 0.13 -1.10 2.61 -2.24 -1.26 -4.43 114.28 107.99 3kkz n THR 57 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3kkz n THR 57 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3kkz n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkz n GLY 58 N 0.94 0.76 0.18 3.38 0.00 -0.42 -3.71 105.19 106.33 3kkz n GLY 58 Ca 0.13 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 3kkz n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kkz h GLY 59 N 0.00 0.01 2.00 -0.02 0.00 -1.77 -1.66 103.07 101.63 3kkz h GLY 59 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3kkz h GLY 59 CO 0.00 -0.14 -0.42 0.06 0.00 0.00 0.00 176.54 176.04 3kkz h GLN 60 N -0.13 0.00 -1.31 4.80 -0.00 -1.88 -3.17 115.11 113.42 3kkz h GLN 60 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 3kkz h GLN 60 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 3kkz h GLN 60 CO -0.27 0.42 0.00 2.41 -0.00 0.00 0.00 178.83 181.39 3kkz n THR 61 N -3.85 0.24 0.00 1.86 -1.04 -0.62 -1.09 114.28 109.78 3kkz n THR 61 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3kkz n THR 61 Cb 0.47 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 3kkz n THR 61 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kkz n VAL 63 N 0.70 0.00 -0.14 12.58 0.31 -1.20 -0.47 118.33 130.11 3kkz n VAL 63 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3kkz n VAL 63 Cb 0.14 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.11 3kkz n VAL 63 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kkz h LEU 64 N 0.00 -0.16 -1.59 7.52 5.85 -1.42 -2.46 115.31 123.06 3kkz h LEU 64 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3kkz h LEU 64 Cb 0.00 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3kkz h LEU 64 CO 0.00 -0.04 0.32 0.00 -0.34 0.00 0.00 178.44 178.37 3kkz h ALA 65 N 1.38 1.78 0.00 1.25 0.00 -1.03 -0.62 119.26 122.01 3kkz h ALA 65 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kkz h ALA 65 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kkz h ALA 65 CO -0.35 0.17 0.00 0.78 0.00 0.00 0.00 179.25 179.85 3kkz h GLY 66 N 0.54 0.00 -0.79 0.00 0.00 -1.70 -3.18 103.07 97.93 3kkz h GLY 66 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kkz h GLY 66 CO -0.05 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.91 3kkz n HIS 67 N -2.41 0.23 -4.23 5.60 -0.00 -0.27 -4.97 115.22 109.16 3kkz n HIS 67 Ca 0.03 -0.36 -0.13 0.00 -0.00 0.00 0.00 57.72 57.25 3kkz n HIS 67 Cb 0.30 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 3kkz n HIS 67 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3kkz s VAL 68 N -0.90 1.06 -0.98 1.59 -7.23 -1.01 -5.06 120.40 107.87 3kkz s VAL 68 Ca 0.14 -2.03 0.17 0.00 -1.81 0.00 0.00 61.98 58.45 3kkz s VAL 68 Cb 0.08 -1.81 -0.14 0.00 0.56 0.00 0.00 36.38 35.07 3kkz s VAL 68 CO 0.10 -0.77 0.75 0.35 -0.31 0.00 0.00 175.10 175.22 3kkz n THR 69 N -0.15 0.00 -1.30 5.32 -2.24 -1.26 -4.86 114.28 109.79 3kkz n THR 69 Ca -0.11 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 3kkz n THR 69 Cb 0.61 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.91 3kkz n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kkz n GLY 70 N 1.35 -0.92 3.84 3.38 0.00 -1.24 -4.67 105.19 106.93 3kkz n GLY 70 Ca 0.04 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 3kkz n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kkz s GLN 71 N -3.34 3.89 -0.09 1.61 -0.21 -0.74 -4.95 119.66 115.84 3kkz s GLN 71 Ca 0.11 0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.90 3kkz s GLN 71 Cb -0.00 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.85 3kkz s GLN 71 CO 0.08 0.66 -0.17 0.08 -2.12 0.00 0.00 175.29 173.82 3kkz s VAL 72 N -1.15 1.52 -0.21 1.09 1.01 0.08 -0.77 120.40 121.97 3kkz s VAL 72 Ca 0.26 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 3kkz s VAL 72 Cb -0.16 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3kkz s VAL 72 CO 0.14 0.44 -0.08 -0.89 0.00 0.00 0.00 175.10 174.71 3kkz s THR 73 N 0.62 2.98 -0.05 3.92 2.01 0.17 -1.45 115.64 123.84 3kkz s THR 73 Ca -0.15 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 3kkz s THR 73 Cb -0.16 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 3kkz s THR 73 CO 0.04 0.42 0.39 -0.83 -0.69 0.00 0.00 174.62 173.96 3kkz s GLY 74 N 1.41 2.42 -0.05 4.40 0.00 0.60 -0.62 107.32 115.47 3kkz s GLY 74 Ca 0.05 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.54 3kkz s GLY 74 CO -0.06 0.27 -0.16 -2.27 0.00 0.00 0.00 173.10 170.88 3kkz s LEU 75 N -0.59 1.84 0.04 0.66 0.20 0.10 -0.31 118.68 120.61 3kkz s LEU 75 Ca 0.23 -0.34 -0.07 0.00 0.69 0.00 0.00 54.13 54.63 3kkz s LEU 75 Cb -0.16 -0.94 -0.00 0.00 -0.43 0.00 0.00 46.19 44.66 3kkz s LEU 75 CO 0.11 0.11 0.14 -0.62 -0.29 0.00 0.00 176.35 175.81 3kkz s ASP 76 N 0.28 0.10 0.29 3.68 -1.08 -0.90 0.09 116.67 119.13 3kkz s ASP 76 Ca -0.09 -0.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.58 3kkz s ASP 76 Cb -0.13 0.26 0.43 0.00 -1.46 0.00 0.00 42.92 42.01 3kkz s ASP 76 CO 0.03 -0.53 1.66 0.15 0.52 0.00 0.00 175.17 177.01 3kkz h PHE 77 N 3.58 0.13 -3.62 -5.34 3.57 -1.81 -0.67 116.94 112.77 3kkz h PHE 77 Ca -0.32 -0.04 -0.67 0.00 3.53 0.00 0.00 57.97 60.46 3kkz h PHE 77 Cb 1.19 -0.03 -0.18 0.00 2.79 0.00 0.00 35.95 39.73 3kkz h PHE 77 CO 0.52 0.60 -0.26 -0.51 -2.23 0.00 0.00 178.31 176.44 3kkz s LEU 78 N -7.95 4.58 0.40 0.59 1.43 -1.26 -4.73 118.68 111.74 3kkz s LEU 78 Ca -0.03 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3kkz s LEU 78 Cb 0.13 -2.36 0.85 0.00 0.03 0.00 0.00 46.19 44.85 3kkz s LEU 78 CO 0.76 -0.42 1.99 0.77 0.23 0.00 0.00 176.35 179.69 3kkz h SER 79 N 8.55 0.53 -0.99 2.29 4.64 -1.98 -1.58 113.55 125.00 3kkz h SER 79 Ca -0.29 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3kkz h SER 79 Cb 1.13 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 3kkz h SER 79 CO 0.73 0.35 0.64 1.23 -0.87 0.00 0.00 176.83 178.90 3kkz h GLY 80 N 0.60 1.40 1.02 -0.77 0.00 -1.98 0.62 103.07 103.96 3kkz h GLY 80 Ca 0.26 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 3kkz h GLY 80 CO -0.08 0.53 0.04 0.74 0.00 0.00 0.00 176.54 177.77 3kkz h PHE 81 N 1.35 0.98 -0.24 5.60 0.04 -1.63 -2.87 116.94 120.16 3kkz h PHE 81 Ca 0.36 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.87 3kkz h PHE 81 Cb -0.13 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 3kkz h PHE 81 CO 0.00 0.89 -0.30 0.82 -0.60 0.00 0.00 178.31 179.12 3kkz h ILE 82 N 0.79 1.28 -0.78 -0.55 1.08 -0.92 0.57 117.51 118.97 3kkz h ILE 82 Ca 0.16 -1.37 -0.00 0.00 -0.39 0.00 0.00 64.86 63.25 3kkz h ILE 82 Cb 0.47 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 3kkz h ILE 82 CO 0.02 0.43 0.48 0.44 -0.69 0.00 0.00 178.15 178.84 3kkz h ASP 83 N 0.43 0.92 -0.41 1.72 3.32 -0.86 0.09 116.42 121.62 3kkz h ASP 83 Ca 0.05 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3kkz h ASP 83 Cb 0.75 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3kkz h ASP 83 CO 0.06 0.70 -0.08 0.40 -1.72 0.00 0.00 179.24 178.60 3kkz h ILE 84 N 1.06 1.27 -0.30 0.35 2.04 -1.22 -0.66 117.51 120.06 3kkz h ILE 84 Ca 0.28 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3kkz h ILE 84 Cb -0.06 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 3kkz h ILE 84 CO -0.06 0.39 -0.10 0.15 0.00 0.00 0.00 178.15 178.54 3kkz h PHE 85 N 0.61 -0.22 -0.24 1.37 3.04 -0.53 0.79 116.94 121.77 3kkz h PHE 85 Ca 0.11 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.95 3kkz h PHE 85 Cb 0.60 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 3kkz h PHE 85 CO 0.05 -0.16 -0.44 -0.91 -2.02 0.00 0.00 178.31 174.83 3kkz h ASN 86 N -0.03 0.63 -0.42 0.41 2.35 -0.85 0.05 115.58 117.71 3kkz h ASN 86 Ca 0.15 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3kkz h ASN 86 Cb 0.26 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3kkz h ASN 86 CO -0.33 0.98 0.26 -0.09 -1.65 0.00 0.00 177.43 176.60 3kkz h ARG 87 N 0.47 0.51 -0.58 0.81 2.43 -0.73 -0.56 114.38 116.73 3kkz h ARG 87 Ca 0.03 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3kkz h ARG 87 Cb 0.96 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3kkz h ARG 87 CO 0.09 0.33 0.00 -0.91 -1.51 0.00 0.00 179.97 177.97 3kkz h ASN 88 N 0.52 0.98 -0.74 -3.80 2.35 -0.51 0.22 115.58 114.60 3kkz h ASN 88 Ca 0.16 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3kkz h ASN 88 Cb -0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 3kkz h ASN 88 CO -0.07 1.04 0.37 0.00 -1.65 0.00 0.00 177.43 177.12 3kkz h ALA 89 N 1.06 0.95 -0.35 -0.83 0.00 -0.73 -1.08 119.26 118.29 3kkz h ALA 89 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3kkz h ALA 89 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kkz h ALA 89 CO 0.03 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.71 3kkz h ARG 90 N 1.03 0.66 -0.57 0.00 3.08 -0.79 0.21 114.38 118.01 3kkz h ARG 90 Ca 0.26 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3kkz h ARG 90 Cb 0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3kkz h ARG 90 CO -0.03 0.82 0.37 1.96 -1.07 0.00 0.00 179.97 182.02 3kkz h GLN 91 N 0.45 0.62 -0.00 0.04 4.20 -0.80 -1.02 115.11 118.62 3kkz h GLN 91 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3kkz h GLN 91 Cb 0.57 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3kkz h GLN 91 CO 0.03 0.41 -0.12 0.43 -0.67 0.00 0.00 178.83 178.91 3kkz n SER 92 N -4.47 0.27 -1.69 1.46 7.64 -0.42 -4.92 113.62 111.49 3kkz n SER 92 Ca 0.07 -0.16 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 3kkz n SER 92 Cb 0.15 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 3kkz n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kkz n GLY 93 N 1.37 -0.11 0.99 0.23 0.00 -0.39 -4.90 105.19 102.38 3kkz n GLY 93 Ca 0.11 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.98 3kkz n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kkz n LEU 94 N -2.15 3.18 0.22 0.99 4.77 0.65 -4.63 117.00 120.03 3kkz n LEU 94 Ca -0.18 -1.47 0.16 0.00 -0.03 0.00 0.00 56.01 54.48 3kkz n LEU 94 Cb 0.63 -0.20 0.71 0.00 -2.33 0.00 0.00 43.42 42.22 3kkz n LEU 94 CO 0.21 0.68 0.96 0.06 -1.33 0.00 0.00 177.39 177.97 3kkz h GLN 95 N 3.87 0.00 -0.00 3.23 -0.00 -1.73 0.16 115.11 120.64 3kkz h GLN 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3kkz h GLN 95 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.37 3kkz h GLN 95 CO 0.00 0.00 -0.05 0.09 -0.00 0.00 0.00 178.83 178.87 3kkz n ASN 96 N -2.68 0.07 0.00 0.06 5.03 -1.26 -4.10 115.26 112.38 3kkz n ASN 96 Ca 0.00 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.64 3kkz n ASN 96 Cb 0.19 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 3kkz n ASN 96 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 3kkz n ARG 97 N -1.40 0.00 -4.00 3.52 1.85 -0.66 -5.05 116.66 110.92 3kkz n ARG 97 Ca 0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.65 3kkz n ARG 97 Cb 0.31 -0.37 -0.17 0.00 -1.05 0.00 0.00 32.46 31.18 3kkz n ARG 97 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3kkz s VAL 98 N 0.00 1.41 -0.01 8.89 1.01 0.47 -0.74 120.40 131.44 3kkz s VAL 98 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3kkz s VAL 98 Cb 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3kkz s VAL 98 CO 0.00 0.43 -0.06 -0.89 0.00 0.00 0.00 175.10 174.59 3kkz s THR 99 N 1.54 0.45 -0.15 3.92 2.01 -0.53 -4.30 115.64 118.58 3kkz s THR 99 Ca 0.05 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3kkz s THR 99 Cb -0.13 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3kkz s THR 99 CO -0.10 0.13 0.06 -0.83 -0.69 0.00 0.00 174.62 173.19 3kkz s GLY 100 N -0.08 1.93 0.08 4.40 0.00 -1.26 -0.29 107.32 112.09 3kkz s GLY 100 Ca 0.02 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.05 3kkz s GLY 100 CO -0.00 -0.18 -0.17 -0.26 0.00 0.00 0.00 173.10 172.49 3kkz s ILE 101 N -0.19 1.32 -0.06 0.90 -4.36 0.58 -4.93 121.20 114.46 3kkz s ILE 101 Ca 0.07 -1.35 -0.23 0.00 -0.26 0.00 0.00 60.65 58.88 3kkz s ILE 101 Cb -0.12 -1.24 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 3kkz s ILE 101 CO 0.01 -0.14 0.69 -0.69 0.24 0.00 0.00 174.94 175.05 3kkz s VAL 102 N -1.19 5.03 0.11 8.37 1.01 -1.26 -2.13 120.40 130.34 3kkz s VAL 102 Ca 0.01 1.42 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 3kkz s VAL 102 Cb -0.10 -4.03 0.08 0.00 0.00 0.00 0.00 36.38 32.34 3kkz s VAL 102 CO 0.03 0.27 1.11 0.61 0.00 0.00 0.00 175.10 177.12 3kkz n GLY 103 N 3.04 0.46 0.00 4.51 0.00 -0.26 -4.90 105.19 108.05 3kkz n GLY 103 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3kkz n GLY 103 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kkz n SER 104 N -1.21 0.00 0.00 1.61 2.88 -1.26 -2.48 113.62 113.16 3kkz n SER 104 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3kkz n SER 104 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3kkz n SER 104 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3kkz n ASP 106 N 0.00 0.00 -2.88 -3.46 5.75 -1.26 -3.42 116.55 111.28 3kkz n ASP 106 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 3kkz n ASP 106 Cb 0.00 -0.05 0.05 0.00 -1.03 0.00 0.00 41.12 40.09 3kkz n ASP 106 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3kkz n ASP 107 N 0.28 -1.44 -4.77 -1.12 2.03 -1.26 -5.14 116.55 105.13 3kkz n ASP 107 Ca 0.00 -3.43 -0.38 0.00 0.52 0.00 0.00 54.79 51.49 3kkz n ASP 107 Cb 0.00 1.13 -0.03 0.00 -0.72 0.00 0.00 41.12 41.50 3kkz n ASP 107 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kkz s LEU 108 N -2.10 4.27 0.00 -2.67 1.43 -1.22 -4.95 118.68 113.44 3kkz s LEU 108 Ca 0.28 2.29 0.26 0.00 -1.03 0.00 0.00 54.13 55.93 3kkz s LEU 108 Cb 0.29 -3.96 1.20 0.00 0.03 0.00 0.00 46.19 43.76 3kkz s LEU 108 CO -0.08 -0.53 1.82 -0.81 0.23 0.00 0.00 176.35 176.98 3kkz n PRO 109 N 0.30 1.42 -2.25 1.29 -0.04 -1.26 -4.94 135.00 129.52 3kkz n PRO 109 Ca 0.03 -0.61 -0.32 0.00 -0.04 0.00 0.00 63.50 62.56 3kkz n PRO 109 Cb 0.47 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3kkz n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kkz s PHE 110 N -1.95 3.45 0.52 0.54 0.08 -1.26 -5.06 117.98 114.29 3kkz s PHE 110 Ca 0.38 1.43 -0.08 0.00 0.12 0.00 0.00 56.93 58.78 3kkz s PHE 110 Cb 0.19 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 3kkz s PHE 110 CO 0.31 -0.51 0.87 -0.98 -0.10 0.00 0.00 175.22 174.81 3kkz s ARG 111 N -4.31 3.60 0.27 0.44 1.70 -1.26 -5.00 118.95 114.38 3kkz s ARG 111 Ca 0.58 0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.97 3kkz s ARG 111 Cb -0.11 -2.27 -0.13 0.00 -0.57 0.00 0.00 34.95 31.87 3kkz s ARG 111 CO 0.37 -0.31 1.42 0.09 -1.08 0.00 0.00 175.30 175.79 3kkz n ASN 112 N -2.29 2.96 -2.84 -2.89 5.03 -1.26 -2.52 115.26 111.45 3kkz n ASN 112 Ca 0.03 1.15 -0.21 0.00 0.87 0.00 0.00 54.58 56.43 3kkz n ASN 112 Cb 0.55 -1.47 0.01 0.00 -1.02 0.00 0.00 39.78 37.85 3kkz n ASN 112 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kkz n GLU 113 N 1.80 -3.46 0.07 3.52 1.02 0.21 -4.89 120.64 118.92 3kkz n GLU 113 Ca 0.10 0.81 -0.17 0.00 -0.02 0.00 0.00 57.16 57.88 3kkz n GLU 113 Cb 0.33 -5.56 -0.14 0.00 -0.02 0.00 0.00 31.44 26.05 3kkz n GLU 113 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3kkz h GLU 114 N -0.77 0.25 -5.85 3.49 4.81 -1.00 -3.36 114.58 112.15 3kkz h GLU 114 Ca -0.47 -0.43 -0.65 0.00 -0.13 0.00 0.00 59.36 57.68 3kkz h GLU 114 Cb 1.33 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.79 3kkz h GLU 114 CO 0.53 1.13 -0.53 -0.51 -0.73 0.00 0.00 179.01 178.90 3kkz s LEU 115 N -7.00 4.17 0.14 1.64 1.43 -0.06 -4.72 118.68 114.27 3kkz s LEU 115 Ca -0.08 0.29 0.20 0.00 -1.03 0.00 0.00 54.13 53.51 3kkz s LEU 115 Cb 0.07 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 3kkz s LEU 115 CO 0.86 0.30 0.93 0.47 0.23 0.00 0.00 176.35 179.13 3kkz n ASP 116 N 1.28 0.81 -3.67 2.29 8.00 0.38 -0.34 116.55 125.31 3kkz n ASP 116 Ca -0.14 0.33 -0.08 0.00 0.71 0.00 0.00 54.79 55.62 3kkz n ASP 116 Cb 0.53 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 41.95 3kkz n ASP 116 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kkz s LEU 117 N -5.49 -0.59 -0.20 0.64 2.96 -1.16 -1.42 118.68 113.42 3kkz s LEU 117 Ca -0.02 1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 55.04 3kkz s LEU 117 Cb 0.09 1.78 -0.01 0.00 0.50 0.00 0.00 46.19 48.55 3kkz s LEU 117 CO 0.80 -0.22 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.94 3kkz s ILE 118 N 1.91 3.45 -0.04 6.68 1.01 -0.16 -1.30 121.20 132.74 3kkz s ILE 118 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 3kkz s ILE 118 Cb -0.09 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 3kkz s ILE 118 CO -0.16 0.44 0.05 0.86 0.00 0.00 0.00 174.94 176.13 3kkz s TRP 119 N 1.15 3.24 -0.30 3.97 -0.11 0.14 -0.68 118.94 126.35 3kkz s TRP 119 Ca 0.02 0.21 -0.02 0.00 1.22 0.00 0.00 56.10 57.53 3kkz s TRP 119 Cb -0.14 -1.76 0.18 0.00 -1.50 0.00 0.00 33.47 30.25 3kkz s TRP 119 CO -0.01 0.53 0.59 0.45 -4.62 0.00 0.00 176.95 173.89 3kkz s SER 120 N -1.38 -1.28 -0.21 5.86 0.15 -0.29 -0.09 113.70 116.46 3kkz s SER 120 Ca 0.19 0.92 -0.07 0.00 0.70 0.00 0.00 55.95 57.69 3kkz s SER 120 Cb -0.12 2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 66.29 3kkz s SER 120 CO 0.09 -0.26 0.05 -1.61 1.20 0.00 0.00 173.24 172.71 3kkz s GLU 121 N 2.85 3.79 -1.48 5.44 2.02 -1.26 -1.54 118.70 128.51 3kkz s GLU 121 Ca 0.18 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.61 3kkz s GLU 121 Cb -0.15 -3.21 0.07 0.00 0.10 0.00 0.00 34.13 30.94 3kkz s GLU 121 CO -0.20 0.07 1.01 0.41 0.02 0.00 0.00 175.26 176.57 3kkz n GLY 122 N 4.13 -0.49 0.00 -1.39 0.00 -1.20 -4.81 105.19 101.42 3kkz n GLY 122 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kkz n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kkz n ALA 123 N -4.73 0.52 0.28 4.61 0.00 -1.26 -4.86 120.51 115.07 3kkz n ALA 123 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.60 3kkz n ALA 123 Cb 0.54 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.78 3kkz n ALA 123 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kkz h ILE 124 N 0.00 0.47 -0.03 0.00 2.10 -1.85 -1.87 117.51 116.33 3kkz h ILE 124 Ca 0.00 -0.42 0.01 0.00 1.08 0.00 0.00 64.86 65.53 3kkz h ILE 124 Cb 0.00 1.28 -0.00 0.00 -1.09 0.00 0.00 36.82 37.01 3kkz h ILE 124 CO 0.00 0.08 0.09 0.10 -1.08 0.00 0.00 178.15 177.35 3kkz h TYR 125 N 0.00 0.00 0.00 2.19 -0.00 -1.89 0.39 116.97 117.66 3kkz h TYR 125 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.69 3kkz h TYR 125 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.00 3kkz h TYR 125 CO 0.00 0.00 -0.16 -0.91 -0.00 0.00 0.00 178.16 177.09 3kkz h ASN 126 N 0.00 0.00 0.00 0.10 2.35 -1.72 -3.03 115.58 113.28 3kkz h ASN 126 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3kkz h ASN 126 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3kkz h ASN 126 CO -0.00 0.16 -1.45 0.00 -1.65 0.00 0.00 177.43 174.49 3kkz n ILE 127 N -3.82 0.09 0.00 2.81 3.06 -0.66 -5.10 119.36 115.73 3kkz n ILE 127 Ca -0.02 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 3kkz n ILE 127 Cb 0.26 0.14 0.00 0.00 0.54 0.00 0.00 39.64 40.58 3kkz n ILE 127 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kkz n GLY 128 N 2.04 2.50 0.49 4.50 0.00 0.04 -4.65 105.19 110.11 3kkz n GLY 128 Ca -0.03 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 3kkz n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kkz h PHE 129 N 0.00 -1.45 -0.78 1.61 3.57 -1.88 0.49 116.94 118.50 3kkz h PHE 129 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3kkz h PHE 129 Cb 0.00 0.59 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3kkz h PHE 129 CO 0.00 -0.64 0.31 0.93 -2.23 0.00 0.00 178.31 176.68 3kkz h GLU 130 N -0.90 1.17 -0.23 1.11 5.08 -1.94 0.00 114.58 118.87 3kkz h GLU 130 Ca -0.04 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3kkz h GLU 130 Cb 0.82 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3kkz h GLU 130 CO -0.15 0.95 0.13 -0.09 -1.00 0.00 0.00 179.01 178.84 3kkz h ARG 131 N 1.14 0.32 -0.08 2.33 2.43 -1.78 -1.29 114.38 117.46 3kkz h ARG 131 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3kkz h ARG 131 Cb 0.22 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3kkz h ARG 131 CO -0.02 0.27 0.04 0.78 -1.51 0.00 0.00 179.97 179.53 3kkz h GLY 132 N 0.27 0.10 0.08 2.80 0.00 -0.53 0.25 103.07 106.04 3kkz h GLY 132 Ca 0.08 -0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.52 3kkz h GLY 132 CO -0.01 0.03 0.20 1.41 0.00 0.00 0.00 176.54 178.17 3kkz h LEU 133 N 0.08 0.10 0.05 3.11 4.07 -0.82 -0.35 115.31 121.56 3kkz h LEU 133 Ca 0.03 0.12 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 3kkz h LEU 133 Cb 0.00 0.15 0.02 0.00 1.08 0.00 0.00 40.66 41.91 3kkz h LEU 133 CO -0.02 0.02 -0.71 0.78 -1.08 0.00 0.00 178.44 177.44 3kkz h ASN 134 N 0.33 0.53 0.23 -0.43 4.21 -0.90 -3.20 115.58 116.34 3kkz h ASN 134 Ca 0.39 -0.83 -0.16 0.00 1.21 0.00 0.00 56.30 56.91 3kkz h ASN 134 Cb 0.61 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 3kkz h ASN 134 CO -0.44 1.30 -0.61 -0.33 -1.29 0.00 0.00 177.43 176.06 3kkz h GLU 135 N -0.18 0.38 0.00 0.81 5.08 -0.34 -3.20 114.58 117.13 3kkz h GLU 135 Ca -0.10 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3kkz h GLU 135 Cb 1.46 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3kkz h GLU 135 CO 0.14 0.87 0.00 -1.49 -1.00 0.00 0.00 179.01 177.53 3kkz h TRP 136 N 0.28 0.00 -0.79 4.33 6.55 -1.18 -3.30 115.95 121.83 3kkz h TRP 136 Ca -0.01 0.00 0.12 0.00 0.95 0.00 0.00 58.89 59.95 3kkz h TRP 136 Cb 1.14 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.38 3kkz h TRP 136 CO 0.03 0.00 0.52 -0.09 -1.05 0.00 0.00 178.44 177.85 3kkz h ARG 137 N 0.00 0.60 0.00 0.49 2.43 -1.54 -1.69 114.38 114.66 3kkz h ARG 137 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3kkz h ARG 137 Cb 0.93 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3kkz h ARG 137 CO 0.00 0.40 -0.11 1.57 -1.51 0.00 0.00 179.97 180.32 3kkz h LYS 138 N 0.62 0.00 0.00 0.20 2.10 -1.78 -2.54 116.57 115.17 3kkz h LYS 138 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3kkz h LYS 138 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3kkz h LYS 138 CO -0.15 0.11 -0.12 0.66 -2.00 0.00 0.00 179.45 177.95 3kkz n TYR 139 N -3.39 0.46 -3.28 0.07 4.01 -0.64 -0.61 117.16 113.77 3kkz n TYR 139 Ca -0.01 0.13 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 3kkz n TYR 139 Cb 0.28 -0.68 -0.06 0.00 -0.31 0.00 0.00 39.34 38.57 3kkz n TYR 139 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kkz s LEU 140 N -3.79 4.51 0.69 7.72 1.43 -0.96 -0.88 118.68 127.41 3kkz s LEU 140 Ca 0.11 1.25 -0.17 0.00 -1.03 0.00 0.00 54.13 54.30 3kkz s LEU 140 Cb 0.15 -2.93 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3kkz s LEU 140 CO 0.60 0.26 1.18 0.29 0.23 0.00 0.00 176.35 178.91 3kkz n LYS 141 N 1.64 0.77 -1.68 1.70 5.02 0.54 -4.07 118.16 122.09 3kkz n LYS 141 Ca -0.10 0.32 -0.45 0.00 -2.02 0.00 0.00 58.31 56.06 3kkz n LYS 141 Cb 0.51 -2.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.06 3kkz n LYS 141 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kkz n LYS 142 N -2.13 2.23 -0.92 1.97 5.02 -1.26 -0.39 118.16 122.69 3kkz n LYS 142 Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 3kkz n LYS 142 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 3kkz n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kkz n GLY 143 N 3.27 0.88 3.81 0.72 0.00 -0.13 -5.04 105.19 108.70 3kkz n GLY 143 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3kkz n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kkz s GLY 144 N -1.93 1.64 0.07 -0.02 0.00 0.47 -4.68 107.32 102.88 3kkz s GLY 144 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 44.72 43.99 3kkz s GLY 144 CO 0.00 -0.15 -0.23 -0.19 0.00 0.00 0.00 173.10 172.53 3kkz s TYR 145 N -3.46 1.99 -0.13 1.90 1.51 -0.51 -0.77 117.35 117.89 3kkz s TYR 145 Ca 0.68 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 56.34 3kkz s TYR 145 Cb -0.10 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3kkz s TYR 145 CO 0.53 0.17 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.85 3kkz s LEU 146 N -1.52 2.77 -0.24 -1.29 0.20 0.38 -0.99 118.68 117.99 3kkz s LEU 146 Ca 0.09 -0.30 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 3kkz s LEU 146 Cb -0.10 -1.62 0.07 0.00 -0.43 0.00 0.00 46.19 44.11 3kkz s LEU 146 CO 0.03 0.18 0.02 0.00 -0.29 0.00 0.00 176.35 176.29 3kkz s ALA 147 N 0.27 1.56 0.02 5.97 0.00 0.14 -0.04 121.76 129.68 3kkz s ALA 147 Ca -0.09 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.64 3kkz s ALA 147 Cb -0.15 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 3kkz s ALA 147 CO 0.05 -1.32 -0.07 0.14 0.00 0.00 0.00 175.76 174.56 3kkz s VAL 148 N 1.59 0.51 -0.06 0.00 -7.23 -0.18 -1.14 120.40 113.89 3kkz s VAL 148 Ca 0.00 -0.59 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 3kkz s VAL 148 Cb -0.18 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 3kkz s VAL 148 CO -0.12 -0.07 0.05 -0.94 -0.31 0.00 0.00 175.10 173.71 3kkz s SER 149 N -0.72 5.52 -0.01 4.85 1.04 -0.59 -0.05 113.70 123.74 3kkz s SER 149 Ca -0.02 0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.48 3kkz s SER 149 Cb -0.05 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 64.49 3kkz s SER 149 CO 0.00 0.34 0.20 -0.70 0.98 0.00 0.00 173.24 174.06 3kkz s GLU 150 N -1.24 0.52 0.36 4.02 2.56 -0.21 -3.27 118.70 121.43 3kkz s GLU 150 Ca 0.17 -0.28 -0.27 0.00 0.00 0.00 0.00 54.97 54.60 3kkz s GLU 150 Cb -0.12 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.15 3kkz s GLU 150 CO 0.07 -0.13 1.15 0.00 -0.56 0.00 0.00 175.26 175.79 3kkz s SER 152 N -1.04 0.86 0.35 0.00 0.01 0.01 -4.21 113.70 109.68 3kkz s SER 152 Ca 0.52 -0.34 -0.25 0.00 1.31 0.00 0.00 55.95 57.19 3kkz s SER 152 Cb -0.31 -0.03 -0.09 0.00 0.21 0.00 0.00 66.02 65.80 3kkz s SER 152 CO 0.40 -0.06 1.00 0.26 0.41 0.00 0.00 173.24 175.25 3kkz s TRP 153 N -0.77 3.50 -0.74 2.43 0.23 0.01 -1.67 118.94 121.94 3kkz s TRP 153 Ca -0.03 1.72 0.22 0.00 -2.03 0.00 0.00 56.10 55.97 3kkz s TRP 153 Cb -0.06 -3.04 -0.12 0.00 0.03 0.00 0.00 33.47 30.28 3kkz s TRP 153 CO 0.00 -0.20 0.90 1.19 0.96 0.00 0.00 176.95 179.80 3kkz n PHE 154 N 0.34 0.06 -4.24 -1.98 3.72 -0.05 -3.80 117.46 111.53 3kkz n PHE 154 Ca 0.03 0.02 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 3kkz n PHE 154 Cb 0.49 -0.21 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 3kkz n PHE 154 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kkz s THR 155 N -3.14 0.10 -0.17 4.37 -4.23 -1.26 -5.01 115.64 106.30 3kkz s THR 155 Ca 0.04 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.75 3kkz s THR 155 Cb 0.15 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.41 3kkz s THR 155 CO 0.84 0.00 0.94 0.44 -0.54 0.00 0.00 174.62 176.31 3kkz h ASP 156 N 2.48 0.00 -4.72 3.99 3.32 -1.97 -3.47 116.42 116.06 3kkz h ASP 156 Ca -0.34 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.45 3kkz h ASP 156 Cb 1.25 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 3kkz h ASP 156 CO 0.51 0.32 -0.72 -1.83 -1.72 0.00 0.00 179.24 175.81 3kkz s GLU 157 N -3.12 0.62 0.21 3.56 -1.05 -1.26 -5.16 118.70 112.51 3kkz s GLU 157 Ca -0.02 -0.94 -0.22 0.00 -0.15 0.00 0.00 54.97 53.64 3kkz s GLU 157 Cb 0.09 -0.26 0.05 0.00 -0.44 0.00 0.00 34.13 33.56 3kkz s GLU 157 CO 0.80 0.03 0.68 -0.98 0.95 0.00 0.00 175.26 176.74 3kkz s ARG 158 N -2.28 1.51 0.59 -4.83 1.70 -1.26 -5.09 118.95 109.29 3kkz s ARG 158 Ca -0.03 -0.73 -0.20 0.00 -0.47 0.00 0.00 55.73 54.30 3kkz s ARG 158 Cb -0.05 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 3kkz s ARG 158 CO -0.01 -0.68 1.27 -2.30 -1.08 0.00 0.00 175.30 172.49 3kkz n PRO 159 N -0.42 1.35 -0.26 3.89 -0.02 -1.26 -4.85 135.00 133.43 3kkz n PRO 159 Ca -0.10 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 3kkz n PRO 159 Cb 0.62 -2.48 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 3kkz n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kkz h ALA 160 N 0.95 1.34 -0.34 3.55 0.00 -2.01 -2.47 119.26 120.28 3kkz h ALA 160 Ca -0.50 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.34 3kkz h ALA 160 Cb 1.33 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3kkz h ALA 160 CO 0.55 0.57 0.16 1.49 0.00 0.00 0.00 179.25 182.02 3kkz h GLU 161 N 1.11 0.33 -0.01 0.00 4.81 -1.99 0.19 114.58 119.02 3kkz h GLU 161 Ca 0.29 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.28 3kkz h GLU 161 Cb -0.05 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3kkz h GLU 161 CO -0.05 0.22 -0.91 0.97 -0.73 0.00 0.00 179.01 178.51 3kkz h ILE 162 N 0.34 1.41 -0.32 2.32 6.09 -1.91 -2.16 117.51 123.30 3kkz h ILE 162 Ca 0.15 -2.44 0.00 0.00 -1.37 0.00 0.00 64.86 61.20 3kkz h ILE 162 Cb 0.07 2.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.73 3kkz h ILE 162 CO -0.11 0.73 0.20 -1.13 -3.07 0.00 0.00 178.15 174.77 3kkz h ASN 163 N 0.22 0.37 -0.81 2.19 -1.24 -1.15 -2.61 115.58 112.55 3kkz h ASN 163 Ca -0.07 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 56.89 3kkz h ASN 163 Cb 1.54 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.46 3kkz h ASN 163 CO 0.15 0.28 0.40 0.44 -1.29 0.00 0.00 177.43 177.41 3kkz h ASP 164 N 0.42 1.06 -0.22 1.15 3.32 -0.56 -2.82 116.42 118.78 3kkz h ASP 164 Ca 0.12 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3kkz h ASP 164 Cb -0.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3kkz h ASP 164 CO -0.02 0.89 0.08 0.15 -1.72 0.00 0.00 179.24 178.62 3kkz h PHE 165 N 1.16 0.15 0.00 4.55 3.04 -1.21 -2.50 116.94 122.13 3kkz h PHE 165 Ca 0.28 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.24 3kkz h PHE 165 Cb 0.11 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.58 3kkz h PHE 165 CO 0.01 0.08 0.00 0.91 -2.02 0.00 0.00 178.31 177.29 3kkz n TRP 166 N -5.03 0.00 0.00 0.41 7.02 -1.00 -1.28 117.44 117.56 3kkz n TRP 166 Ca -0.02 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.92 3kkz n TRP 166 Cb 0.07 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 28.59 3kkz n TRP 166 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kkz n ASP 168 N 1.64 0.00 0.05 -0.99 2.03 -0.94 0.42 116.55 118.75 3kkz n ASP 168 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 3kkz n ASP 168 Cb 0.28 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.53 3kkz n ASP 168 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kkz h ALA 169 N 0.00 0.01 -0.84 -1.67 0.00 -1.46 -3.45 119.26 111.86 3kkz h ALA 169 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.95 3kkz h ALA 169 Cb 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 17.79 17.89 3kkz h ALA 169 CO 0.00 0.62 -0.40 -0.47 0.00 0.00 0.00 179.25 179.00 3kkz s TYR 170 N -2.48 -1.40 -0.46 0.00 5.04 0.17 -5.02 117.35 113.19 3kkz s TYR 170 Ca -0.15 -0.19 0.19 0.00 -2.44 0.00 0.00 57.07 54.48 3kkz s TYR 170 Cb 0.03 0.27 0.92 0.00 0.35 0.00 0.00 41.96 43.53 3kkz s TYR 170 CO 0.83 -1.04 1.59 -0.35 -1.34 0.00 0.00 175.55 175.24 3kkz n PRO 171 N 3.44 0.13 0.00 4.97 -0.04 -1.08 -2.29 135.00 140.14 3kkz n PRO 171 Ca 0.14 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 3kkz n PRO 171 Cb 0.58 -1.84 0.68 0.00 -0.04 0.00 0.00 33.50 32.88 3kkz n PRO 171 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kkz n GLU 172 N -2.10 0.38 -1.63 0.54 2.13 -1.26 -4.83 120.64 113.87 3kkz n GLU 172 Ca 0.01 0.03 -0.43 0.00 0.66 0.00 0.00 57.16 57.43 3kkz n GLU 172 Cb 0.12 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.32 3kkz n GLU 172 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3kkz n ILE 173 N -1.28 2.10 -3.99 6.31 3.06 -0.97 -4.96 119.36 119.63 3kkz n ILE 173 Ca 0.13 -0.50 -0.09 0.00 -2.50 0.00 0.00 62.75 59.78 3kkz n ILE 173 Cb 0.21 -1.23 -0.04 0.00 0.54 0.00 0.00 39.64 39.12 3kkz n ILE 173 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3kkz s ASP 174 N -0.52 0.01 0.67 9.51 -1.08 -1.26 -4.88 116.67 119.12 3kkz s ASP 174 Ca 0.59 -0.98 -0.11 0.00 -0.52 0.00 0.00 52.55 51.53 3kkz s ASP 174 Cb -0.62 0.62 -0.01 0.00 -1.46 0.00 0.00 42.92 41.45 3kkz s ASP 174 CO 0.60 -1.21 1.05 0.42 0.52 0.00 0.00 175.17 176.55 3kkz s THR 175 N -3.80 4.27 0.12 1.71 -4.23 -1.26 -0.81 115.64 111.64 3kkz s THR 175 Ca 0.22 0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 61.30 3kkz s THR 175 Cb -0.01 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.22 3kkz s THR 175 CO 0.10 -0.96 1.64 0.40 -0.54 0.00 0.00 174.62 175.26 3kkz h ILE 176 N -0.57 1.21 -0.95 2.99 2.04 -1.95 -0.98 117.51 119.30 3kkz h ILE 176 Ca -0.44 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 64.78 3kkz h ILE 176 Cb 1.20 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 3kkz h ILE 176 CO 0.59 0.24 0.62 -0.65 0.00 0.00 0.00 178.15 178.95 3kkz h PRO 177 N 0.45 1.13 -0.62 2.37 0.11 -1.94 0.64 132.00 134.13 3kkz h PRO 177 Ca 0.12 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 3kkz h PRO 177 Cb 0.25 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3kkz h PRO 177 CO -0.00 0.75 0.11 -0.91 -0.21 0.00 0.00 178.00 177.74 3kkz h ASN 178 N 1.17 0.95 -0.28 -2.05 2.35 -1.86 -1.86 115.58 114.01 3kkz h ASN 178 Ca 0.39 -0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 55.76 3kkz h ASN 178 Cb 0.06 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3kkz h ASN 178 CO -0.13 0.95 -0.44 1.56 -1.65 0.00 0.00 177.43 177.72 3kkz h GLN 179 N 0.95 0.84 -0.53 0.81 4.20 -0.37 -1.48 115.11 119.53 3kkz h GLN 179 Ca 0.19 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 3kkz h GLN 179 Cb 0.39 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3kkz h GLN 179 CO 0.01 1.10 0.09 0.28 -0.67 0.00 0.00 178.83 179.64 3kkz h VAL 180 N 0.67 1.23 -0.57 -0.54 2.07 -0.83 -0.82 116.25 117.47 3kkz h VAL 180 Ca 0.04 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3kkz h VAL 180 Cb 1.02 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3kkz h VAL 180 CO 0.10 0.32 0.22 0.00 0.02 0.00 0.00 177.57 178.23 3kkz h ALA 181 N 1.30 1.32 -0.26 1.67 0.00 -1.11 -2.09 119.26 120.10 3kkz h ALA 181 Ca 0.17 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3kkz h ALA 181 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kkz h ALA 181 CO 0.01 0.51 -0.39 0.87 0.00 0.00 0.00 179.25 180.25 3kkz h LYS 182 N 0.82 0.59 -0.14 0.00 1.57 -0.34 -0.40 116.57 118.67 3kkz h LYS 182 Ca 0.19 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kkz h LYS 182 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3kkz h LYS 182 CO -0.02 0.88 0.06 0.82 -0.57 0.00 0.00 179.45 180.62 3kkz h ILE 183 N 0.49 0.98 -0.16 1.86 1.08 -0.84 -1.25 117.51 119.67 3kkz h ILE 183 Ca 0.05 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3kkz h ILE 183 Cb 0.89 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 3kkz h ILE 183 CO 0.08 0.02 0.10 -0.74 -0.69 0.00 0.00 178.15 176.92 3kkz h HIS 184 N 0.13 0.21 0.00 1.37 2.76 -1.23 -2.38 115.15 116.02 3kkz h HIS 184 Ca 0.06 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3kkz h HIS 184 Cb 0.02 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 3kkz h HIS 184 CO -0.10 0.18 -0.11 -0.22 -1.30 0.00 0.00 177.93 176.38 3kkz h LYS 185 N 0.19 0.00 -0.00 5.26 3.64 -0.96 -1.54 116.57 123.16 3kkz h LYS 185 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3kkz h LYS 185 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3kkz h LYS 185 CO -0.01 0.11 -0.02 0.00 -2.27 0.00 0.00 179.45 177.26 3kkz n ALA 186 N -2.43 2.62 -0.46 5.00 0.00 -0.48 -4.89 120.51 119.86 3kkz n ALA 186 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3kkz n ALA 186 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3kkz n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kkz n GLY 187 N 1.16 1.62 3.25 0.00 0.00 -0.58 -4.85 105.19 105.79 3kkz n GLY 187 Ca 0.19 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3kkz n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kkz s TYR 188 N -2.00 1.80 -0.13 1.61 2.02 -0.93 -3.11 117.35 116.61 3kkz s TYR 188 Ca 0.00 -0.37 -0.29 0.00 -0.37 0.00 0.00 57.07 56.03 3kkz s TYR 188 Cb 0.00 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3kkz s TYR 188 CO 0.00 0.08 1.07 -1.17 -1.57 0.00 0.00 175.55 173.96 3kkz s LEU 189 N -1.13 4.22 -1.19 -1.29 2.96 0.41 -3.61 118.68 119.04 3kkz s LEU 189 Ca 0.07 1.56 -0.20 0.00 -0.22 0.00 0.00 54.13 55.34 3kkz s LEU 189 Cb -0.09 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.11 3kkz s LEU 189 CO 0.02 -0.54 1.62 -2.16 -1.32 0.00 0.00 176.35 173.97 3kkz s PRO 190 N 2.40 3.84 0.26 0.98 0.04 -1.26 -1.11 135.00 140.15 3kkz s PRO 190 Ca 0.49 -1.67 -0.02 0.00 0.04 0.00 0.00 61.00 59.84 3kkz s PRO 190 Cb -0.19 -5.46 0.34 0.00 0.04 0.00 0.00 34.50 29.23 3kkz s PRO 190 CO 0.16 -2.23 1.78 0.28 0.04 0.00 0.00 177.00 177.02 3kkz h VAL 191 N 6.03 1.24 -2.35 -0.36 2.07 -1.66 -3.44 116.25 117.77 3kkz h VAL 191 Ca 0.35 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3kkz h VAL 191 Cb 0.92 0.80 -0.22 0.00 -1.52 0.00 0.00 31.29 31.27 3kkz h VAL 191 CO 1.45 0.34 -0.04 0.00 0.02 0.00 0.00 177.57 179.33 3kkz s ALA 192 N -5.06 -1.42 -0.06 1.67 0.00 -0.83 -5.01 121.76 111.04 3kkz s ALA 192 Ca -0.10 1.61 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 3kkz s ALA 192 Cb 0.15 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.37 3kkz s ALA 192 CO 0.81 -0.27 0.12 0.99 0.00 0.00 0.00 175.76 177.40 3kkz s THR 193 N 0.30 -0.18 -0.02 0.00 2.01 -1.26 0.10 115.64 116.60 3kkz s THR 193 Ca -0.00 0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 3kkz s THR 193 Cb -0.04 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.25 3kkz s THR 193 CO 0.01 0.15 0.13 0.72 -0.69 0.00 0.00 174.62 174.94 3kkz s PHE 194 N 2.10 -0.01 0.12 4.92 -0.12 -0.25 -4.97 117.98 119.77 3kkz s PHE 194 Ca 0.02 0.02 -0.27 0.00 -0.05 0.00 0.00 56.93 56.65 3kkz s PHE 194 Cb -0.12 -0.02 -0.07 0.00 -0.63 0.00 0.00 43.02 42.18 3kkz s PHE 194 CO -0.05 -0.22 0.84 0.42 -0.05 0.00 0.00 175.22 176.17 3kkz s ILE 195 N -0.93 4.49 0.22 -4.49 1.01 -1.26 0.04 121.20 120.27 3kkz s ILE 195 Ca -0.10 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 3kkz s ILE 195 Cb -0.06 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 3kkz s ILE 195 CO 0.01 0.41 1.17 -0.76 0.00 0.00 0.00 174.94 175.77 3kkz s LEU 196 N -0.48 4.48 0.74 2.97 1.02 -0.20 -4.93 118.68 122.27 3kkz s LEU 196 Ca 0.40 2.26 -0.15 0.00 0.02 0.00 0.00 54.13 56.67 3kkz s LEU 196 Cb -0.23 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.41 3kkz s LEU 196 CO 0.27 -0.31 1.21 -2.84 0.02 0.00 0.00 176.35 174.69 3kkz s PRO 197 N -0.68 2.08 0.46 1.29 0.02 -1.26 -4.73 135.00 132.18 3kkz s PRO 197 Ca 0.50 1.75 0.21 0.00 0.02 0.00 0.00 61.00 63.48 3kkz s PRO 197 Cb -0.33 -1.83 1.20 0.00 0.02 0.00 0.00 34.50 33.57 3kkz s PRO 197 CO 0.39 -1.88 1.91 1.49 -0.33 0.00 0.00 177.00 178.58 3kkz h GLU 198 N -0.38 0.25 0.00 5.54 4.81 -2.00 -1.57 114.58 121.23 3kkz h GLU 198 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3kkz h GLU 198 Cb 1.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3kkz h GLU 198 CO 0.49 0.17 0.00 -2.95 -0.73 0.00 0.00 179.01 175.99 3kkz h ASN 199 N 0.26 0.00 0.62 1.04 -0.00 -1.98 -0.61 115.58 114.91 3kkz h ASN 199 Ca 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.62 3kkz h ASN 199 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.43 3kkz h ASN 199 CO -0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 177.43 177.05 3kkz h TRP 201 N 0.00 0.51 0.00 0.00 4.06 -1.28 -2.54 115.95 116.70 3kkz h TRP 201 Ca -0.00 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.57 3kkz h TRP 201 Cb 0.68 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3kkz h TRP 201 CO 0.00 1.74 0.00 0.25 -3.56 0.00 0.00 178.44 176.87 3kkz n THR 202 N -3.49 0.00 -0.33 1.49 -2.24 -0.91 0.05 114.28 108.84 3kkz n THR 202 Ca -0.30 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3kkz n THR 202 Cb 1.05 -0.59 0.33 0.00 -2.10 0.00 0.00 70.33 69.02 3kkz n THR 202 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kkz h ASP 203 N 0.00 0.77 0.00 3.42 3.32 -1.73 -0.59 116.42 121.61 3kkz h ASP 203 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3kkz h ASP 203 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3kkz h ASP 203 CO 0.00 0.33 -0.32 1.41 -1.72 0.00 0.00 179.24 178.94 3kkz n HIS 204 N -4.67 0.00 0.05 4.55 8.25 -0.76 -4.42 115.22 118.22 3kkz n HIS 204 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3kkz n HIS 204 Cb 0.52 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3kkz n HIS 204 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kkz n TYR 205 N 0.28 -0.83 -0.12 4.41 9.36 -1.05 -4.73 117.16 124.48 3kkz n TYR 205 Ca 0.11 0.15 -0.03 0.00 3.32 0.00 0.00 57.90 61.45 3kkz n TYR 205 Cb 0.49 0.53 0.20 0.00 -0.63 0.00 0.00 39.34 39.92 3kkz n TYR 205 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kkz h PHE 206 N 0.00 0.83 -0.02 2.98 0.04 0.01 -0.23 116.94 120.54 3kkz h PHE 206 Ca 0.00 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3kkz h PHE 206 Cb 0.00 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 3kkz h PHE 206 CO 0.00 0.70 0.01 1.15 -0.60 0.00 0.00 178.31 179.57 3kkz h THR 207 N 0.77 1.18 -0.27 -1.55 2.02 -1.35 -1.02 112.91 112.69 3kkz h THR 207 Ca 0.17 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3kkz h THR 207 Cb 0.30 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3kkz h THR 207 CO -0.00 0.14 0.16 -0.65 0.37 0.00 0.00 175.52 175.54 3kkz h PRO 208 N -0.18 0.37 -0.60 6.66 0.11 -1.73 -2.80 132.00 133.83 3kkz h PRO 208 Ca 0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3kkz h PRO 208 Cb 0.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3kkz h PRO 208 CO -0.00 0.27 0.01 -0.22 -0.21 0.00 0.00 178.00 177.84 3kkz h LYS 209 N 0.38 1.05 -0.77 1.05 3.64 -0.52 -0.49 116.57 120.90 3kkz h LYS 209 Ca 0.10 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3kkz h LYS 209 Cb -0.00 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3kkz h LYS 209 CO -0.02 1.03 0.41 0.28 -2.27 0.00 0.00 179.45 178.88 3kkz h VAL 210 N 0.95 1.23 -0.58 2.00 2.07 -0.94 0.18 116.25 121.15 3kkz h VAL 210 Ca 0.17 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 3kkz h VAL 210 Cb 0.55 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3kkz h VAL 210 CO 0.03 0.26 0.14 0.00 0.02 0.00 0.00 177.57 178.02 3kkz h ALA 211 N 1.21 0.77 -0.55 1.67 0.00 -1.32 -1.75 119.26 119.30 3kkz h ALA 211 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kkz h ALA 211 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3kkz h ALA 211 CO -0.04 0.48 0.17 0.00 0.00 0.00 0.00 179.25 179.86 3kkz h ALA 212 N 1.03 1.27 -0.31 0.00 0.00 -0.63 -2.60 119.26 118.01 3kkz h ALA 212 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kkz h ALA 212 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kkz h ALA 212 CO 0.00 0.52 0.19 0.37 0.00 0.00 0.00 179.25 180.33 3kkz h GLN 213 N 0.80 0.38 -0.75 0.00 4.15 -0.13 -0.18 115.11 119.37 3kkz h GLN 213 Ca 0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3kkz h GLN 213 Cb 0.23 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3kkz h GLN 213 CO -0.01 0.25 0.48 0.87 -1.93 0.00 0.00 178.83 178.49 3kkz h LYS 214 N 0.39 1.00 -0.46 1.69 1.79 -1.02 0.35 116.57 120.31 3kkz h LYS 214 Ca 0.12 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 3kkz h LYS 214 Cb -0.02 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.40 3kkz h LYS 214 CO -0.04 0.68 0.05 0.82 -1.08 0.00 0.00 179.45 179.88 3kkz h ILE 215 N 1.02 1.25 -0.14 1.86 2.04 -1.17 -1.44 117.51 120.93 3kkz h ILE 215 Ca 0.27 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kkz h ILE 215 Cb -0.08 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3kkz h ILE 215 CO -0.06 0.33 0.08 0.15 0.00 0.00 0.00 178.15 178.66 3kkz h PHE 216 N 0.64 0.19 0.00 1.37 3.57 -0.77 -0.95 116.94 120.99 3kkz h PHE 216 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3kkz h PHE 216 Cb 0.43 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3kkz h PHE 216 CO 0.03 0.19 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.06 3kkz h LEU 217 N 0.14 0.00 -0.02 0.59 3.38 -0.82 -0.56 115.31 118.02 3kkz h LEU 217 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3kkz h LEU 217 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kkz h LEU 217 CO -0.01 0.17 -0.44 0.74 0.09 0.00 0.00 178.44 178.99 3kkz h THR 218 N 0.00 1.46 -0.69 0.22 2.02 -0.91 -1.27 112.91 113.74 3kkz h THR 218 Ca -0.00 -1.97 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 3kkz h THR 218 Cb 0.50 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 3kkz h THR 218 CO 0.02 0.56 0.37 0.50 0.37 0.00 0.00 175.52 177.35 3kkz h LYS 219 N -0.22 0.96 -0.64 6.66 3.64 -0.87 -3.01 116.57 123.09 3kkz h LYS 219 Ca -0.05 -0.12 -0.35 0.00 -1.27 0.00 0.00 60.65 58.87 3kkz h LYS 219 Cb 1.15 -0.19 -0.20 0.00 -0.41 0.00 0.00 32.23 32.58 3kkz h LYS 219 CO 0.09 0.73 0.22 0.66 -2.27 0.00 0.00 179.45 178.87 3kkz n TYR 220 N -4.50 2.00 -1.63 1.91 4.02 -0.24 -5.03 117.16 113.68 3kkz n TYR 220 Ca 0.06 -1.80 -0.54 0.00 -0.01 0.00 0.00 57.90 55.61 3kkz n TYR 220 Cb 0.09 -0.71 -0.06 0.00 -0.02 0.00 0.00 39.34 38.64 3kkz n TYR 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kkz n ALA 221 N -1.12 -0.64 -0.13 -0.72 0.00 -0.48 -0.90 120.51 116.52 3kkz n ALA 221 Ca 0.45 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.36 3kkz n ALA 221 Cb 1.26 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kkz n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kkz n GLY 222 N 3.10 1.91 3.63 0.00 0.00 -1.26 -5.00 105.19 107.56 3kkz n GLY 222 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3kkz n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kkz s ASN 223 N -3.35 6.85 0.37 1.61 3.84 -0.08 -4.93 114.94 119.25 3kkz s ASN 223 Ca 0.00 0.93 0.06 0.00 0.21 0.00 0.00 52.86 54.06 3kkz s ASN 223 Cb 0.00 -2.50 0.71 0.00 -0.55 0.00 0.00 41.25 38.91 3kkz s ASN 223 CO 0.00 -0.79 1.94 0.11 -2.79 0.00 0.00 177.10 175.57 3kkz h LYS 224 N 8.09 0.50 0.12 0.43 1.79 -1.95 -0.55 116.57 125.00 3kkz h LYS 224 Ca -0.22 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 3kkz h LYS 224 Cb 1.07 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 3kkz h LYS 224 CO 0.99 0.47 -0.06 0.82 -1.08 0.00 0.00 179.45 180.59 3kkz h ILE 225 N 0.49 1.03 -0.75 1.86 2.04 -1.96 -1.51 117.51 118.70 3kkz h ILE 225 Ca 0.12 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3kkz h ILE 225 Cb 0.20 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3kkz h ILE 225 CO -0.00 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.65 3kkz h ALA 226 N 0.41 1.23 -0.55 1.87 0.00 -1.82 -1.73 119.26 118.68 3kkz h ALA 226 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3kkz h ALA 226 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kkz h ALA 226 CO 0.03 0.59 0.11 0.93 0.00 0.00 0.00 179.25 180.91 3kkz h GLU 227 N 1.07 0.85 0.32 0.00 5.08 -1.03 -1.04 114.58 119.83 3kkz h GLU 227 Ca 0.26 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3kkz h GLU 227 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kkz h GLU 227 CO -0.03 0.78 -0.15 0.93 -1.00 0.00 0.00 179.01 179.53 3kkz h GLU 228 N 0.81 -0.41 -0.64 2.33 5.08 -0.72 -3.11 114.58 117.92 3kkz h GLU 228 Ca 0.18 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.69 3kkz h GLU 228 Cb 0.32 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 3kkz h GLU 228 CO 0.00 -0.11 0.15 0.35 -1.00 0.00 0.00 179.01 178.40 3kkz h PHE 229 N -0.73 0.24 0.00 4.33 3.57 -1.25 -2.25 116.94 120.86 3kkz h PHE 229 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kkz h PHE 229 Cb 0.49 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3kkz h PHE 229 CO 0.02 -0.04 0.00 0.45 -2.23 0.00 0.00 178.31 176.51 3kkz n SER 230 N -5.13 0.29 0.00 0.41 2.88 -0.40 -2.00 113.62 109.67 3kkz n SER 230 Ca 0.10 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 3kkz n SER 230 Cb 0.36 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 3kkz n SER 230 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3kkz n LEU 232 N 0.81 0.00 0.05 2.46 4.77 -0.85 -2.37 117.00 121.87 3kkz n LEU 232 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3kkz n LEU 232 Cb 0.05 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.25 3kkz n LEU 232 CO 0.00 0.00 0.50 1.56 -1.33 0.00 0.00 177.39 178.12 3kkz h GLN 233 N 0.00 0.37 -0.27 3.23 1.08 -1.68 -3.06 115.11 114.79 3kkz h GLN 233 Ca 0.00 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 56.93 3kkz h GLN 233 Cb 0.00 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3kkz h GLN 233 CO 0.00 0.82 0.00 0.77 -0.95 0.00 0.00 178.83 179.48 3kkz h SER 234 N 0.29 0.36 -0.87 1.46 0.02 -1.77 -2.82 113.55 110.23 3kkz h SER 234 Ca 0.00 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3kkz h SER 234 Cb 1.05 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 3kkz h SER 234 CO 0.09 0.43 0.57 0.40 -1.14 0.00 0.00 176.83 177.18 3kkz h ILE 235 N 0.39 1.17 -0.70 3.27 1.08 -1.84 -2.37 117.51 118.51 3kkz h ILE 235 Ca 0.09 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 64.24 3kkz h ILE 235 Cb 0.26 -0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 33.90 3kkz h ILE 235 CO 0.01 0.21 0.38 -0.08 -0.69 0.00 0.00 178.15 177.97 3kkz h GLU 236 N 1.12 0.65 -0.21 2.37 4.81 -1.59 -1.24 114.58 120.50 3kkz h GLU 236 Ca 0.33 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.34 3kkz h GLU 236 Cb -0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3kkz h GLU 236 CO -0.10 0.43 -0.62 1.49 -0.73 0.00 0.00 179.01 179.48 3kkz h GLU 237 N 0.67 0.72 -0.59 1.92 4.81 -1.58 -2.38 114.58 118.15 3kkz h GLU 237 Ca 0.32 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3kkz h GLU 237 Cb 0.26 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 3kkz h GLU 237 CO -0.21 1.12 0.36 0.93 -0.73 0.00 0.00 179.01 180.47 3kkz h GLU 238 N 0.54 0.68 -0.60 1.92 5.08 -0.93 -1.55 114.58 119.72 3kkz h GLU 238 Ca -0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3kkz h GLU 238 Cb 1.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3kkz h GLU 238 CO 0.13 0.45 0.02 -0.07 -1.00 0.00 0.00 179.01 178.54 3kkz h LEU 239 N 0.70 1.00 -0.17 1.33 3.38 -1.19 -2.43 115.31 117.93 3kkz h LEU 239 Ca 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kkz h LEU 239 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3kkz h LEU 239 CO -0.10 1.04 0.06 0.22 0.09 0.00 0.00 178.44 179.75 3kkz h TYR 240 N 0.94 0.27 -0.44 1.13 3.20 -1.08 0.18 116.97 121.18 3kkz h TYR 240 Ca 0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3kkz h TYR 240 Cb 0.52 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 3kkz h TYR 240 CO 0.04 0.34 0.25 0.45 -1.64 0.00 0.00 178.16 177.59 3kkz h HIS 241 N 0.11 0.58 0.17 -3.82 3.86 -1.19 0.17 115.15 115.03 3kkz h HIS 241 Ca 0.06 -0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.96 3kkz h HIS 241 Cb 0.19 -0.19 0.02 0.00 1.06 0.00 0.00 27.41 28.50 3kkz h HIS 241 CO -0.01 0.40 -1.32 -0.22 0.86 0.00 0.00 177.93 177.64 3kkz h LYS 242 N 0.60 0.45 0.00 2.45 3.64 -1.22 -3.40 116.57 119.10 3kkz h LYS 242 Ca 0.16 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3kkz h LYS 242 Cb 0.01 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3kkz h LYS 242 CO -0.03 1.33 -0.04 0.66 -2.27 0.00 0.00 179.45 179.11 3kkz n TYR 243 N -3.66 0.00 0.29 1.91 4.01 0.63 -4.78 117.16 115.55 3kkz n TYR 243 Ca -0.13 -0.65 0.17 0.00 -0.16 0.00 0.00 57.90 57.13 3kkz n TYR 243 Cb 1.04 -0.09 0.91 0.00 -0.31 0.00 0.00 39.34 40.89 3kkz n TYR 243 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3kkz h LYS 244 N 0.00 0.00 0.00 -0.72 2.10 -0.84 0.12 116.57 117.22 3kkz h LYS 244 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kkz h LYS 244 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 3kkz h LYS 244 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 3kkz h GLU 245 N 0.00 0.00 0.00 0.07 3.07 -1.86 -3.23 114.58 112.63 3kkz h GLU 245 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kkz h GLU 245 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3kkz h GLU 245 CO 0.00 0.00 -1.43 0.66 -1.40 0.00 0.00 179.01 176.84 3kkz n TYR 246 N -2.88 0.00 -3.63 4.33 4.01 0.03 -4.78 117.16 114.25 3kkz n TYR 246 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3kkz n TYR 246 Cb 0.26 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 3kkz n TYR 246 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3kkz s TYR 247 N -3.14 -0.28 0.00 -0.72 -0.85 -1.22 -0.87 117.35 110.27 3kkz s TYR 247 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 3kkz s TYR 247 Cb 0.14 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3kkz s TYR 247 CO 0.83 -0.90 0.00 0.41 -1.52 0.00 0.00 175.55 174.37 3kkz n GLY 248 N -0.35 1.82 3.36 5.49 0.00 -0.67 -4.75 105.19 110.10 3kkz n GLY 248 Ca -0.13 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3kkz n GLY 248 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kkz s TYR 249 N -0.98 2.32 -0.02 1.61 1.51 -1.26 -0.81 117.35 119.71 3kkz s TYR 249 Ca 0.00 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 3kkz s TYR 249 Cb 0.00 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3kkz s TYR 249 CO 0.00 0.21 -0.14 0.99 -1.11 0.00 0.00 175.55 175.50 3kkz s THR 250 N -0.90 1.11 -0.19 -0.71 2.01 -0.18 -1.04 115.64 115.74 3kkz s THR 250 Ca 0.13 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3kkz s THR 250 Cb -0.10 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 3kkz s THR 250 CO 0.04 0.32 0.24 0.12 -0.69 0.00 0.00 174.62 174.64 3kkz s PHE 251 N -0.21 3.40 -0.19 4.92 2.19 0.11 -1.04 117.98 127.15 3kkz s PHE 251 Ca 0.03 0.45 -0.02 0.00 0.33 0.00 0.00 56.93 57.72 3kkz s PHE 251 Cb -0.07 -2.31 -0.00 0.00 -1.31 0.00 0.00 43.02 39.33 3kkz s PHE 251 CO -0.00 0.18 -0.10 -0.06 1.83 0.00 0.00 175.22 177.07 3kkz s PHE 252 N 0.69 2.88 -0.21 10.12 0.40 0.93 -1.10 117.98 131.70 3kkz s PHE 252 Ca 0.13 -1.07 -0.03 0.00 -0.60 0.00 0.00 56.93 55.35 3kkz s PHE 252 Cb -0.13 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 3kkz s PHE 252 CO 0.03 -0.56 -0.06 0.42 0.70 0.00 0.00 175.22 175.75 3kkz s ILE 253 N 1.23 3.25 -0.03 0.64 1.09 0.11 -1.01 121.20 126.48 3kkz s ILE 253 Ca 0.03 -0.54 0.02 0.00 -1.10 0.00 0.00 60.65 59.05 3kkz s ILE 253 Cb -0.14 -2.46 0.01 0.00 -1.06 0.00 0.00 42.46 38.81 3kkz s ILE 253 CO -0.04 0.44 -0.06 0.00 -0.10 0.00 0.00 174.94 175.18 3kkz s ALA 254 N 1.35 0.70 -0.21 9.38 0.00 0.94 -1.60 121.76 132.33 3kkz s ALA 254 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 3kkz s ALA 254 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 3kkz s ALA 254 CO -0.03 0.06 0.10 0.21 0.00 0.00 0.00 175.76 176.09 3kkz s LYS 255 N 0.52 3.98 -0.29 0.00 2.20 -0.27 -0.47 119.74 125.40 3kkz s LYS 255 Ca -0.07 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 3kkz s LYS 255 Cb -0.11 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 3kkz s LYS 255 CO 0.00 0.15 1.63 0.21 -0.36 0.00 0.00 175.35 176.98 3kkz s LYS 256 N 0.74 3.61 0.01 4.03 2.20 0.05 -0.44 119.74 129.94 3kkz s LYS 256 Ca 0.05 1.44 0.06 0.00 -0.36 0.00 0.00 55.97 57.16 3kkz s LYS 256 Cb -0.13 -4.08 -0.02 0.00 -1.51 0.00 0.00 37.83 32.09 3kkz s LYS 256 CO 0.02 -1.52 -0.19 0.96 -0.36 0.00 0.00 175.35 174.26 3kkz s ILE 257 N 5.77 1.51 0.33 5.43 -4.36 -1.18 -0.95 121.20 127.74 3kkz s ILE 257 Ca 0.72 -0.94 0.08 0.00 -0.26 0.00 0.00 60.65 60.25 3kkz s ILE 257 Cb -0.22 -1.28 0.08 0.00 1.25 0.00 0.00 42.46 42.29 3kkz s ILE 257 CO 0.31 0.32 1.77 0.03 0.24 0.00 0.00 174.94 177.61 3kkz h ARG 258 N 5.37 0.24 0.00 0.37 3.08 -1.88 -2.80 114.38 118.76 3kkz h ARG 258 Ca -0.39 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3kkz h ARG 258 Cb 1.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3kkz h ARG 258 CO 0.46 0.54 0.00 -0.07 -1.07 0.00 0.00 179.97 179.83 3kkz h LEU 259 N 0.21 0.00 -3.68 3.04 3.38 -1.96 -0.75 115.31 115.56 3kkz h LEU 259 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3kkz h LEU 259 Cb 0.67 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 3kkz h LEU 259 CO 0.05 0.00 0.18 0.18 0.09 0.00 0.00 178.44 178.93 3kkz n LEU 260 N -2.44 5.97 0.00 1.67 4.77 -1.06 -5.16 117.00 120.76 3kkz n LEU 260 Ca -0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 3kkz n LEU 260 Cb 0.12 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3kkz n LEU 260 CO 0.15 0.75 0.00 -1.84 -1.33 0.00 0.00 177.39 175.13