#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kn2 s GLU 30 N 0.00 2.29 0.02 5.55 2.02 -1.26 -4.94 118.70 122.38 3kn2 s GLU 30 Ca 0.00 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.14 3kn2 s GLU 30 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3kn2 s GLU 30 CO 0.00 0.57 0.02 0.20 0.02 0.00 0.00 175.26 176.06 3kn2 s GLY 31 N -1.42 1.91 0.02 -1.39 0.00 -0.58 -4.73 107.32 101.13 3kn2 s GLY 31 Ca 0.16 -0.97 0.13 0.00 0.00 0.00 0.00 44.72 44.03 3kn2 s GLY 31 CO 0.06 -0.87 0.84 0.83 0.00 0.00 0.00 173.10 173.96 3kn2 h GLU 32 N 4.08 0.00 -5.32 2.90 3.07 -1.89 -1.39 114.58 116.03 3kn2 h GLU 32 Ca -0.49 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.73 3kn2 h GLU 32 Cb 1.17 0.00 -0.25 0.00 -0.84 0.00 0.00 28.75 28.84 3kn2 h GLU 32 CO 0.59 0.53 -0.73 0.08 -1.40 0.00 0.00 179.01 178.09 3kn2 s VAL 33 N -2.70 3.39 -0.11 3.13 1.01 -1.26 -1.15 120.40 122.70 3kn2 s VAL 33 Ca -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3kn2 s VAL 33 Cb 0.08 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3kn2 s VAL 33 CO 0.82 0.51 0.00 -1.10 0.00 0.00 0.00 175.10 175.33 3kn2 s GLN 34 N 0.34 3.22 -0.44 2.72 1.11 -0.03 -4.96 119.66 121.62 3kn2 s GLN 34 Ca -0.08 -0.41 -0.18 0.00 0.01 0.00 0.00 55.36 54.69 3kn2 s GLN 34 Cb -0.15 -2.87 0.03 0.00 -1.01 0.00 0.00 33.01 29.01 3kn2 s GLN 34 CO 0.05 0.58 0.52 0.42 0.01 0.00 0.00 175.29 176.87 3kn2 s ILE 35 N -0.54 4.99 0.34 1.08 1.01 -1.26 -0.74 121.20 126.08 3kn2 s ILE 35 Ca 0.09 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.53 3kn2 s ILE 35 Cb -0.12 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3kn2 s ILE 35 CO 0.02 -0.55 0.17 0.68 0.00 0.00 0.00 174.94 175.27 3kn2 s VAL 36 N 2.38 3.12 -0.03 2.92 -7.23 0.21 -4.98 120.40 116.79 3kn2 s VAL 36 Ca 0.15 -1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 3kn2 s VAL 36 Cb -0.17 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 33.77 3kn2 s VAL 36 CO 0.14 -0.18 0.31 -0.44 -0.31 0.00 0.00 175.10 174.63 3kn2 s SER 37 N -3.88 -0.22 0.51 4.85 0.01 -1.26 -0.72 113.70 112.99 3kn2 s SER 37 Ca 0.38 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.85 3kn2 s SER 37 Cb -0.03 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 3kn2 s SER 37 CO 0.23 -0.39 0.00 0.42 0.41 0.00 0.00 173.24 173.92 3kn2 s THR 38 N -1.06 1.17 0.50 1.44 -4.23 0.11 -4.99 115.64 108.57 3kn2 s THR 38 Ca -0.11 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.55 3kn2 s THR 38 Cb -0.05 -2.16 0.27 0.00 1.34 0.00 0.00 72.50 71.90 3kn2 s THR 38 CO 0.04 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.25 3kn2 h ALA 39 N 1.35 1.98 0.03 3.99 0.00 -2.02 -3.18 119.26 121.41 3kn2 h ALA 39 Ca -0.44 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.10 3kn2 h ALA 39 Cb 1.32 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3kn2 h ALA 39 CO 0.74 0.02 -2.25 0.25 0.00 0.00 0.00 179.25 178.01 3kn2 n THR 40 N -4.52 1.55 -4.21 0.00 -2.24 -1.26 -5.05 114.28 98.54 3kn2 n THR 40 Ca -0.02 -0.69 -0.14 0.00 -2.27 0.00 0.00 64.05 60.94 3kn2 n THR 40 Cb 0.10 -1.22 -0.09 0.00 -2.10 0.00 0.00 70.33 67.03 3kn2 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kn2 s GLN 41 N -2.53 1.36 0.00 -0.78 -2.07 -1.20 -5.16 119.66 109.29 3kn2 s GLN 41 Ca -0.22 -1.70 0.06 0.00 -1.82 0.00 0.00 55.36 51.67 3kn2 s GLN 41 Cb 0.08 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 3kn2 s GLN 41 CO 0.72 -0.47 -0.18 0.99 -1.32 0.00 0.00 175.29 175.04 3kn2 s THR 42 N -3.96 1.39 0.00 3.63 2.01 -1.26 0.04 115.64 117.48 3kn2 s THR 42 Ca 0.38 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3kn2 s THR 42 Cb 0.05 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.39 3kn2 s THR 42 CO 0.16 0.30 0.00 2.22 -0.69 0.00 0.00 174.62 176.61 3kn2 n PHE 43 N 2.41 -0.35 -4.49 4.92 -1.74 0.10 -4.42 117.46 113.89 3kn2 n PHE 43 Ca -0.16 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.50 3kn2 n PHE 43 Cb 0.54 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.44 3kn2 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3kn2 s LEU 44 N 0.00 2.62 0.04 5.98 1.43 -0.10 -0.62 118.68 128.03 3kn2 s LEU 44 Ca 0.00 -1.19 0.02 0.00 -1.03 0.00 0.00 54.13 51.93 3kn2 s LEU 44 Cb 0.00 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 3kn2 s LEU 44 CO 0.00 -0.25 -0.07 0.00 0.23 0.00 0.00 176.35 176.26 3kn2 s ALA 45 N -2.77 0.48 -0.06 4.21 0.00 0.08 -4.08 121.76 119.61 3kn2 s ALA 45 Ca 0.31 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3kn2 s ALA 45 Cb 0.03 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3kn2 s ALA 45 CO 0.15 -0.05 -0.09 0.99 0.00 0.00 0.00 175.76 176.76 3kn2 s THR 46 N -1.41 0.88 -0.29 0.00 2.01 0.75 -0.85 115.64 116.73 3kn2 s THR 46 Ca -0.11 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 3kn2 s THR 46 Cb -0.10 -0.84 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 3kn2 s THR 46 CO 0.00 0.30 0.74 0.00 -0.69 0.00 0.00 174.62 174.98 3kn2 s ILE 48 N 2.82 0.68 -1.33 0.00 1.01 0.65 -0.45 121.20 124.58 3kn2 s ILE 48 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 3kn2 s ILE 48 Cb -0.15 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.59 3kn2 s ILE 48 CO 0.11 0.29 0.83 0.59 0.00 0.00 0.00 174.94 176.76 3kn2 n ASN 49 N 4.74 -2.21 0.00 3.58 5.03 -1.21 -2.12 115.26 123.07 3kn2 n ASN 49 Ca -0.14 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.55 3kn2 n ASN 49 Cb 0.50 -4.29 0.00 0.00 -1.02 0.00 0.00 39.78 34.98 3kn2 n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kn2 n GLY 50 N -1.54 1.07 3.40 7.41 0.00 -1.26 -5.01 105.19 109.26 3kn2 n GLY 50 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3kn2 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kn2 s VAL 51 N -3.69 2.51 -0.50 1.61 1.01 -0.90 -1.80 120.40 118.63 3kn2 s VAL 51 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 61.98 60.60 3kn2 s VAL 51 Cb 0.00 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.46 3kn2 s VAL 51 CO 0.00 0.39 0.48 0.00 0.00 0.00 0.00 175.10 175.97 3kn2 s TRP 53 N 1.83 3.49 0.27 0.00 0.52 0.17 -1.31 118.94 123.90 3kn2 s TRP 53 Ca 0.06 0.24 -0.20 0.00 0.02 0.00 0.00 56.10 56.21 3kn2 s TRP 53 Cb -0.25 -1.77 0.06 0.00 -1.15 0.00 0.00 33.47 30.36 3kn2 s TRP 53 CO 0.06 0.47 0.88 -0.08 0.02 0.00 0.00 176.95 178.30 3kn2 s THR 54 N -1.76 0.00 0.04 2.01 -1.32 -1.05 -0.18 115.64 113.38 3kn2 s THR 54 Ca 0.36 -0.83 -0.28 0.00 -1.21 0.00 0.00 61.69 59.74 3kn2 s THR 54 Cb -0.11 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.29 3kn2 s THR 54 CO 0.28 0.00 0.89 0.68 -2.21 0.00 0.00 174.62 174.26 3kn2 s VAL 55 N -2.77 4.72 0.57 5.08 -7.23 -1.26 -1.88 120.40 117.62 3kn2 s VAL 55 Ca 0.16 1.88 0.25 0.00 -1.81 0.00 0.00 61.98 62.46 3kn2 s VAL 55 Cb -0.04 -4.24 0.33 0.00 0.56 0.00 0.00 36.38 33.00 3kn2 s VAL 55 CO 0.07 0.28 2.19 0.22 -0.31 0.00 0.00 175.10 177.55 3kn2 h TYR 56 N 6.06 0.00 0.00 2.82 3.20 -1.41 0.41 116.97 128.06 3kn2 h TYR 56 Ca -0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kn2 h TYR 56 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 3kn2 h TYR 56 CO 0.66 0.00 0.00 -2.39 -1.64 0.00 0.00 178.16 174.79 3kn2 n HIS 57 N -4.08 0.00 -0.10 -3.82 1.44 -1.26 -0.25 115.22 107.14 3kn2 n HIS 57 Ca -0.02 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.53 3kn2 n HIS 57 Cb 0.14 -0.46 -0.09 0.00 0.12 0.00 0.00 29.99 29.70 3kn2 n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kn2 n GLY 58 N 0.63 -0.30 0.12 -1.39 0.00 0.08 -4.78 105.19 99.55 3kn2 n GLY 58 Ca 0.06 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 3kn2 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kn2 n ALA 59 N -3.32 1.21 -0.26 4.61 0.00 -0.83 -4.88 120.51 117.03 3kn2 n ALA 59 Ca -0.38 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.20 3kn2 n ALA 59 Cb 0.86 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3kn2 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kn2 n GLY 60 N 2.00 1.42 0.66 0.00 0.00 0.65 -2.04 105.19 107.89 3kn2 n GLY 60 Ca -0.35 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.25 3kn2 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kn2 n THR 61 N 0.00 1.92 -1.43 2.61 -2.24 -1.26 -4.85 114.28 109.03 3kn2 n THR 61 Ca 0.00 -1.74 -0.36 0.00 -2.27 0.00 0.00 64.05 59.69 3kn2 n THR 61 Cb 0.00 -0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.24 3kn2 n THR 61 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3kn2 n ARG 62 N -0.48 0.64 -3.16 -0.78 0.63 -0.87 -4.84 116.66 107.81 3kn2 n ARG 62 Ca 0.18 0.28 -0.23 0.00 -0.92 0.00 0.00 57.85 57.15 3kn2 n ARG 62 Cb 0.73 -2.36 0.00 0.00 0.45 0.00 0.00 32.46 31.28 3kn2 n ARG 62 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3kn2 s THR 63 N -1.74 4.49 -0.06 5.15 -1.32 -1.26 -4.58 115.64 116.32 3kn2 s THR 63 Ca 0.76 -0.48 -0.01 0.00 -1.21 0.00 0.00 61.69 60.75 3kn2 s THR 63 Cb -0.35 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 66.96 3kn2 s THR 63 CO 0.47 -0.44 -0.01 -0.51 -2.21 0.00 0.00 174.62 171.92 3kn2 s ILE 64 N -2.44 4.16 0.47 5.08 2.07 -0.62 -4.90 121.20 125.02 3kn2 s ILE 64 Ca 0.45 -0.37 -0.22 0.00 -1.41 0.00 0.00 60.65 59.09 3kn2 s ILE 64 Cb -0.10 -2.76 -0.07 0.00 0.13 0.00 0.00 42.46 39.66 3kn2 s ILE 64 CO 0.37 0.55 1.13 0.00 -1.91 0.00 0.00 174.94 175.08 3kn2 s ALA 65 N -0.92 2.91 0.15 1.50 0.00 -1.26 -0.75 121.76 123.39 3kn2 s ALA 65 Ca 0.15 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 3kn2 s ALA 65 Cb -0.11 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3kn2 s ALA 65 CO 0.04 -0.59 0.42 -1.54 0.00 0.00 0.00 175.76 174.08 3kn2 s SER 66 N -1.55 -0.19 0.00 0.00 1.04 -1.10 -4.85 113.70 107.05 3kn2 s SER 66 Ca 0.65 -0.46 0.15 0.00 0.48 0.00 0.00 55.95 56.78 3kn2 s SER 66 Cb -0.25 0.50 0.66 0.00 0.10 0.00 0.00 66.02 67.03 3kn2 s SER 66 CO 0.30 -0.92 1.45 -0.81 0.98 0.00 0.00 173.24 174.25 3kn2 n PRO 67 N -0.25 0.07 -0.48 4.02 -0.04 -1.26 -2.05 135.00 135.00 3kn2 n PRO 67 Ca -0.13 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 3kn2 n PRO 67 Cb 0.63 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.86 3kn2 n PRO 67 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kn2 n LYS 68 N -1.43 3.24 0.00 0.54 5.02 -1.26 -5.07 118.16 119.20 3kn2 n LYS 68 Ca 0.05 -2.78 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 3kn2 n LYS 68 Cb 0.15 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 3kn2 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kn2 n GLY 69 N -0.11 0.96 3.77 0.72 0.00 -0.87 -5.01 105.19 104.65 3kn2 n GLY 69 Ca 0.21 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 3kn2 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kn2 s PRO 70 N -1.39 4.33 -0.11 1.61 0.04 -1.26 -2.72 135.00 135.51 3kn2 s PRO 70 Ca 0.00 1.92 0.01 0.00 0.04 0.00 0.00 61.00 62.97 3kn2 s PRO 70 Cb 0.00 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 3kn2 s PRO 70 CO 0.00 -0.10 -0.14 0.14 0.04 0.00 0.00 177.00 176.94 3kn2 s VAL 71 N -1.27 2.97 0.65 -0.36 -7.23 0.07 -4.91 120.40 110.32 3kn2 s VAL 71 Ca 0.51 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.84 3kn2 s VAL 71 Cb -0.33 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3kn2 s VAL 71 CO 0.43 0.54 1.05 0.27 -0.31 0.00 0.00 175.10 177.09 3kn2 s ILE 72 N 0.08 4.04 0.36 -0.62 -4.36 -1.26 -1.59 121.20 117.85 3kn2 s ILE 72 Ca -0.06 0.76 -0.28 0.00 -0.26 0.00 0.00 60.65 60.80 3kn2 s ILE 72 Cb -0.15 -3.44 -0.11 0.00 1.25 0.00 0.00 42.46 40.02 3kn2 s ILE 72 CO 0.05 -0.77 1.42 -1.10 0.24 0.00 0.00 174.94 174.78 3kn2 s GLN 73 N -4.74 4.20 -0.00 0.37 -0.21 -1.26 -4.63 119.66 113.39 3kn2 s GLN 73 Ca 0.59 2.44 -0.02 0.00 0.02 0.00 0.00 55.36 58.40 3kn2 s GLN 73 Cb -0.14 -3.01 -0.27 0.00 1.00 0.00 0.00 33.01 30.59 3kn2 s GLN 73 CO 0.49 -0.41 0.84 0.52 -2.12 0.00 0.00 175.29 174.61 3kn2 h MET 74 N 3.19 0.22 -4.47 2.91 2.86 0.14 -3.47 114.93 116.31 3kn2 h MET 74 Ca -0.50 -0.38 -0.26 0.00 -2.06 0.00 0.00 59.70 56.50 3kn2 h MET 74 Cb 1.23 0.14 -0.21 0.00 0.06 0.00 0.00 31.60 32.82 3kn2 h MET 74 CO 0.65 1.07 -0.73 0.71 1.06 0.00 0.00 176.91 179.67 3kn2 s TYR 75 N -2.62 0.60 -0.22 -0.22 2.02 -0.49 -4.96 117.35 111.46 3kn2 s TYR 75 Ca -0.09 -0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 56.04 3kn2 s TYR 75 Cb 0.07 -0.37 0.11 0.00 -0.40 0.00 0.00 41.96 41.37 3kn2 s TYR 75 CO 0.85 -0.10 0.46 0.99 -1.57 0.00 0.00 175.55 176.18 3kn2 s THR 76 N -1.39 -0.72 -0.42 -0.71 2.01 -1.26 -0.30 115.64 112.85 3kn2 s THR 76 Ca -0.11 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3kn2 s THR 76 Cb -0.10 -0.75 0.16 0.00 0.01 0.00 0.00 72.50 71.82 3kn2 s THR 76 CO 0.00 0.03 0.32 0.21 -0.69 0.00 0.00 174.62 174.50 3kn2 s ASN 77 N 2.66 2.09 0.46 3.53 3.84 0.12 -4.98 114.94 122.67 3kn2 s ASN 77 Ca 0.00 -2.94 0.23 0.00 0.21 0.00 0.00 52.86 50.36 3kn2 s ASN 77 Cb -0.13 -0.55 1.24 0.00 -0.55 0.00 0.00 41.25 41.26 3kn2 s ASN 77 CO -0.14 -0.19 1.85 0.58 -2.79 0.00 0.00 177.10 176.40 3kn2 h VAL 78 N 4.72 0.59 -0.12 -5.21 2.07 -1.95 0.30 116.25 116.65 3kn2 h VAL 78 Ca 0.21 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kn2 h VAL 78 Cb 0.91 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3kn2 h VAL 78 CO 0.38 0.05 0.07 -0.78 0.02 0.00 0.00 177.57 177.31 3kn2 h ASP 79 N 0.26 0.14 0.92 0.57 1.82 -1.93 -1.98 116.42 116.22 3kn2 h ASP 79 Ca 0.49 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 3kn2 h ASP 79 Cb 1.47 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.44 3kn2 h ASP 79 CO -0.14 0.15 -0.06 0.00 -1.61 0.00 0.00 179.24 177.58 3kn2 n GLN 80 N -4.98 0.02 -3.11 0.28 1.13 -0.29 -4.90 117.38 105.53 3kn2 n GLN 80 Ca -0.05 -0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.87 3kn2 n GLN 80 Cb 0.05 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 28.95 3kn2 n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kn2 n ASP 81 N -1.49 -4.58 -4.17 1.08 2.03 -0.06 -4.95 116.55 104.42 3kn2 n ASP 81 Ca 0.07 -0.31 -0.24 0.00 0.52 0.00 0.00 54.79 54.84 3kn2 n ASP 81 Cb 0.33 -3.19 -0.15 0.00 -0.72 0.00 0.00 41.12 37.40 3kn2 n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kn2 s LEU 82 N -4.69 2.07 0.07 -2.67 2.96 -0.85 -1.16 118.68 114.40 3kn2 s LEU 82 Ca 0.33 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3kn2 s LEU 82 Cb -0.15 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 3kn2 s LEU 82 CO 0.41 0.18 -0.05 0.68 -1.32 0.00 0.00 176.35 176.26 3kn2 s VAL 83 N -0.51 0.42 -0.16 1.68 -7.23 -0.79 0.15 120.40 113.96 3kn2 s VAL 83 Ca 0.06 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 3kn2 s VAL 83 Cb -0.07 -1.52 0.05 0.00 0.56 0.00 0.00 36.38 35.41 3kn2 s VAL 83 CO -0.00 -0.91 0.40 -0.83 -0.31 0.00 0.00 175.10 173.45 3kn2 s GLY 84 N -2.88 -0.31 0.36 2.32 0.00 0.59 -2.52 107.32 104.87 3kn2 s GLY 84 Ca 0.08 1.42 0.09 0.00 0.00 0.00 0.00 44.72 46.30 3kn2 s GLY 84 CO -0.07 1.50 -0.02 -0.98 0.00 0.00 0.00 173.10 173.53 3kn2 s TRP 85 N 1.10 2.49 0.37 1.90 0.51 -0.43 0.17 118.94 125.06 3kn2 s TRP 85 Ca -0.07 -0.52 -0.27 0.00 -2.12 0.00 0.00 56.10 53.12 3kn2 s TRP 85 Cb -0.07 -1.54 -0.10 0.00 -0.81 0.00 0.00 33.47 30.96 3kn2 s TRP 85 CO -0.09 0.50 1.35 -2.14 -0.51 0.00 0.00 176.95 176.05 3kn2 s PRO 86 N -3.68 4.13 0.15 4.98 0.02 -1.26 -0.63 135.00 138.71 3kn2 s PRO 86 Ca 0.34 2.28 -0.34 0.00 0.02 0.00 0.00 61.00 63.30 3kn2 s PRO 86 Cb 0.03 -2.92 -0.14 0.00 0.02 0.00 0.00 34.50 31.49 3kn2 s PRO 86 CO 0.18 -0.40 1.52 0.00 -0.33 0.00 0.00 177.00 177.97 3kn2 n ALA 87 N 0.43 0.87 -1.61 -1.55 0.00 -0.75 -4.49 120.51 113.41 3kn2 n ALA 87 Ca 0.02 0.46 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 3kn2 n ALA 87 Cb 0.42 -2.29 0.19 0.00 0.00 0.00 0.00 19.45 17.77 3kn2 n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kn2 s PRO 88 N 0.76 0.21 0.34 0.00 0.04 -1.26 -4.97 135.00 130.11 3kn2 s PRO 88 Ca 0.79 -0.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 3kn2 s PRO 88 Cb -0.73 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 3kn2 s PRO 88 CO 0.40 -2.74 1.09 -0.65 0.04 0.00 0.00 177.00 175.14 3kn2 s GLN 89 N -5.64 4.39 0.00 4.56 -0.21 -1.26 -3.39 119.66 118.12 3kn2 s GLN 89 Ca 0.71 1.70 0.00 0.00 0.02 0.00 0.00 55.36 57.79 3kn2 s GLN 89 Cb -0.08 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3kn2 s GLN 89 CO 0.54 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 3kn2 n GLY 90 N 0.81 0.45 3.51 3.09 0.00 -1.26 -5.04 105.19 106.75 3kn2 n GLY 90 Ca 0.02 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 3kn2 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kn2 s SER 91 N -2.87 3.25 -0.00 1.61 1.04 -1.22 -1.53 113.70 113.98 3kn2 s SER 91 Ca 0.00 -1.27 -0.08 0.00 0.48 0.00 0.00 55.95 55.09 3kn2 s SER 91 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 3kn2 s SER 91 CO 0.00 -0.37 0.15 0.00 0.98 0.00 0.00 173.24 174.00 3kn2 s ARG 92 N -3.72 0.49 0.40 4.02 1.70 -0.52 -4.72 118.95 116.61 3kn2 s ARG 92 Ca 0.33 -0.36 -0.08 0.00 -0.47 0.00 0.00 55.73 55.15 3kn2 s ARG 92 Cb 0.06 0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 3kn2 s ARG 92 CO 0.15 -0.12 0.73 -1.12 -1.08 0.00 0.00 175.30 173.86 3kn2 s SER 93 N -1.33 6.43 0.13 -2.89 0.01 -1.26 -3.94 113.70 110.85 3kn2 s SER 93 Ca -0.14 0.98 -0.02 0.00 1.31 0.00 0.00 55.95 58.08 3kn2 s SER 93 Cb -0.07 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 3kn2 s SER 93 CO 0.02 -0.41 0.32 -0.22 0.41 0.00 0.00 173.24 173.36 3kn2 s LEU 94 N -4.06 4.29 -0.19 2.44 2.96 0.41 -4.90 118.68 119.63 3kn2 s LEU 94 Ca 0.48 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.68 3kn2 s LEU 94 Cb -0.10 -3.13 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 3kn2 s LEU 94 CO 0.35 0.06 0.23 -0.89 -1.32 0.00 0.00 176.35 174.79 3kn2 s THR 95 N -1.67 5.34 0.50 3.68 2.01 -1.26 -3.31 115.64 120.93 3kn2 s THR 95 Ca 0.38 0.40 -0.23 0.00 0.31 0.00 0.00 61.69 62.54 3kn2 s THR 95 Cb -0.12 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 3kn2 s THR 95 CO 0.27 0.38 1.33 -2.65 -0.69 0.00 0.00 174.62 173.27 3kn2 n PRO 96 N 3.77 1.83 -2.19 4.92 -0.02 -1.26 -0.35 135.00 141.69 3kn2 n PRO 96 Ca -0.13 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 3kn2 n PRO 96 Cb 0.52 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3kn2 n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kn2 n THR 98 N -0.60 0.05 0.06 0.00 -2.24 -1.26 -4.82 114.28 105.46 3kn2 n THR 98 Ca 0.08 -0.07 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 3kn2 n THR 98 Cb 0.48 1.42 -0.05 0.00 -2.10 0.00 0.00 70.33 70.08 3kn2 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kn2 n GLY 100 N 1.28 0.71 3.72 0.00 0.00 -1.26 -5.02 105.19 104.62 3kn2 n GLY 100 Ca -0.05 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3kn2 n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kn2 s SER 101 N -2.81 3.98 0.00 1.61 0.15 -1.26 -4.95 113.70 110.42 3kn2 s SER 101 Ca 0.00 2.16 0.12 0.00 0.70 0.00 0.00 55.95 58.92 3kn2 s SER 101 Cb 0.00 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 3kn2 s SER 101 CO 0.00 -2.40 0.79 -1.20 1.20 0.00 0.00 173.24 171.63 3kn2 n SER 102 N -3.30 1.68 -4.36 5.45 7.64 -1.26 -4.81 113.62 114.66 3kn2 n SER 102 Ca 0.12 -1.34 -0.46 0.00 1.01 0.00 0.00 58.87 58.20 3kn2 n SER 102 Cb 0.52 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 3kn2 n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3kn2 s ASP 103 N -1.19 6.49 0.40 6.43 1.01 -1.26 -0.18 116.67 128.37 3kn2 s ASP 103 Ca 0.12 -2.08 0.02 0.00 0.71 0.00 0.00 52.55 51.31 3kn2 s ASP 103 Cb 0.09 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 3kn2 s ASP 103 CO 0.20 -0.86 0.60 -0.76 0.21 0.00 0.00 175.17 174.56 3kn2 s LEU 104 N 1.56 3.79 -0.04 1.23 1.02 0.91 -3.68 118.68 123.48 3kn2 s LEU 104 Ca 0.17 0.18 -0.01 0.00 0.02 0.00 0.00 54.13 54.49 3kn2 s LEU 104 Cb -0.16 -3.07 0.03 0.00 0.02 0.00 0.00 46.19 43.01 3kn2 s LEU 104 CO -0.03 -0.56 0.04 -0.31 0.02 0.00 0.00 176.35 175.51 3kn2 s TYR 105 N -2.41 0.12 -0.11 0.29 2.02 0.12 -0.09 117.35 117.28 3kn2 s TYR 105 Ca 0.46 0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 57.21 3kn2 s TYR 105 Cb -0.10 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 3kn2 s TYR 105 CO 0.36 -0.17 0.28 -1.17 -1.57 0.00 0.00 175.55 173.28 3kn2 s LEU 106 N 1.81 4.33 -0.19 -1.29 2.96 0.11 -0.26 118.68 126.16 3kn2 s LEU 106 Ca 0.01 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 3kn2 s LEU 106 Cb -0.12 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 3kn2 s LEU 106 CO -0.03 0.22 0.02 -0.69 -1.32 0.00 0.00 176.35 174.56 3kn2 s VAL 107 N -0.24 4.27 0.59 1.68 1.01 -1.07 0.35 120.40 126.99 3kn2 s VAL 107 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3kn2 s VAL 107 Cb -0.14 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.37 3kn2 s VAL 107 CO 0.06 0.44 0.83 0.42 0.00 0.00 0.00 175.10 176.85 3kn2 s THR 108 N 0.73 2.54 -0.43 3.92 -4.23 0.33 -4.43 115.64 114.07 3kn2 s THR 108 Ca 0.01 -0.63 0.20 0.00 -1.18 0.00 0.00 61.69 60.09 3kn2 s THR 108 Cb -0.14 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 71.00 3kn2 s THR 108 CO 0.02 0.00 1.61 -2.11 -0.54 0.00 0.00 174.62 173.60 3kn2 n ARG 109 N -2.47 0.14 -0.22 3.99 1.85 -1.26 -0.77 116.66 117.92 3kn2 n ARG 109 Ca 0.09 0.52 0.12 0.00 -1.00 0.00 0.00 57.85 57.58 3kn2 n ARG 109 Cb 0.60 -1.85 0.23 0.00 -1.05 0.00 0.00 32.46 30.39 3kn2 n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3kn2 n HIS 110 N -2.13 0.58 -1.01 2.89 8.25 -1.26 -4.93 115.22 117.60 3kn2 n HIS 110 Ca 0.00 -0.29 -0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3kn2 n HIS 110 Cb 0.11 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 3kn2 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kn2 n ALA 111 N 1.54 -0.01 -1.77 -1.41 0.00 0.05 -5.02 120.51 113.89 3kn2 n ALA 111 Ca 0.20 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 3kn2 n ALA 111 Cb 0.61 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 3kn2 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kn2 s ASP 112 N -2.17 6.84 -0.17 0.00 1.01 -1.26 -4.73 116.67 116.19 3kn2 s ASP 112 Ca 0.00 2.16 -0.04 0.00 0.71 0.00 0.00 52.55 55.38 3kn2 s ASP 112 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3kn2 s ASP 112 CO 0.00 -0.44 -0.03 -0.69 0.21 0.00 0.00 175.17 174.22 3kn2 s VAL 113 N -1.47 3.83 -0.20 -1.27 1.01 -1.26 -0.51 120.40 120.53 3kn2 s VAL 113 Ca 0.54 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3kn2 s VAL 113 Cb -0.26 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.46 3kn2 s VAL 113 CO 0.33 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 175.13 3kn2 s ILE 114 N 0.57 1.95 0.20 2.22 1.01 0.16 -4.91 121.20 122.40 3kn2 s ILE 114 Ca -0.03 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 3kn2 s ILE 114 Cb -0.14 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 3kn2 s ILE 114 CO 0.03 0.32 1.39 -2.84 0.00 0.00 0.00 174.94 173.83 3kn2 s PRO 115 N 1.29 4.32 -0.04 2.79 0.02 -1.26 0.08 135.00 142.20 3kn2 s PRO 115 Ca 0.00 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.22 3kn2 s PRO 115 Cb -0.15 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3kn2 s PRO 115 CO -0.10 -0.38 -0.10 0.08 -0.33 0.00 0.00 177.00 176.18 3kn2 s VAL 116 N 0.34 0.87 -0.26 3.83 1.01 0.88 -1.65 120.40 125.41 3kn2 s VAL 116 Ca 0.60 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.07 3kn2 s VAL 116 Cb -0.39 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3kn2 s VAL 116 CO 0.38 0.28 0.27 -0.60 0.00 0.00 0.00 175.10 175.42 3kn2 s ARG 117 N 0.35 4.01 0.04 2.72 3.00 0.44 -0.06 118.95 129.45 3kn2 s ARG 117 Ca -0.06 -0.14 -0.30 0.00 -1.00 0.00 0.00 55.73 54.22 3kn2 s ARG 117 Cb -0.11 -3.63 -0.07 0.00 0.00 0.00 0.00 34.95 31.14 3kn2 s ARG 117 CO 0.01 -0.17 1.53 0.50 0.00 0.00 0.00 175.30 177.17 3kn2 s ARG 118 N 1.74 4.24 -0.11 5.12 3.52 0.75 0.53 118.95 134.74 3kn2 s ARG 118 Ca 0.11 2.16 0.18 0.00 -0.13 0.00 0.00 55.73 58.04 3kn2 s ARG 118 Cb -0.15 -3.57 -0.26 0.00 -1.56 0.00 0.00 34.95 29.40 3kn2 s ARG 118 CO 0.09 -0.65 0.24 0.54 -0.81 0.00 0.00 175.30 174.71 3kn2 n ARG 119 N 5.43 0.82 -3.80 5.12 5.12 0.83 -4.89 116.66 125.29 3kn2 n ARG 119 Ca 0.14 -0.09 -0.02 0.00 -1.93 0.00 0.00 57.85 55.96 3kn2 n ARG 119 Cb 0.42 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3kn2 n ARG 119 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3kn2 s GLY 120 N -4.77 -0.13 0.26 -0.13 0.00 -0.27 -4.96 107.32 97.32 3kn2 s GLY 120 Ca -0.08 0.06 0.14 0.00 0.00 0.00 0.00 44.72 44.84 3kn2 s GLY 120 CO 0.78 1.46 1.09 1.34 0.00 0.00 0.00 173.10 177.77 3kn2 n ASP 121 N -0.81 0.24 -0.94 1.64 4.64 -1.26 -1.10 116.55 118.96 3kn2 n ASP 121 Ca -0.04 1.15 0.04 0.00 -1.38 0.00 0.00 54.79 54.55 3kn2 n ASP 121 Cb 0.60 -0.56 0.06 0.00 -1.04 0.00 0.00 41.12 40.19 3kn2 n ASP 121 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3kn2 n SER 122 N -4.57 1.03 -3.73 1.67 3.41 -1.26 -4.51 113.62 105.66 3kn2 n SER 122 Ca 0.26 -2.48 -0.13 0.00 -0.26 0.00 0.00 58.87 56.26 3kn2 n SER 122 Cb 0.89 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 3kn2 n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3kn2 s ARG 123 N -0.92 0.77 0.05 4.33 3.52 -0.25 -1.28 118.95 125.17 3kn2 s ARG 123 Ca 0.26 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.43 3kn2 s ARG 123 Cb 0.28 0.34 0.02 0.00 -1.56 0.00 0.00 34.95 34.03 3kn2 s ARG 123 CO -0.09 -0.23 0.33 0.20 -0.81 0.00 0.00 175.30 174.69 3kn2 s GLY 124 N -1.65 -0.15 -0.15 8.12 0.00 -1.02 -0.12 107.32 112.35 3kn2 s GLY 124 Ca -0.10 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.61 3kn2 s GLY 124 CO 0.01 -0.19 0.02 -1.35 0.00 0.00 0.00 173.10 171.60 3kn2 s SER 125 N -2.13 5.33 0.28 1.64 1.04 0.19 -1.51 113.70 118.54 3kn2 s SER 125 Ca -0.04 0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 3kn2 s SER 125 Cb -0.00 -1.80 -0.10 0.00 0.10 0.00 0.00 66.02 64.21 3kn2 s SER 125 CO -0.04 0.23 1.44 -0.76 0.98 0.00 0.00 173.24 175.09 3kn2 s LEU 126 N 0.00 4.38 0.00 2.42 1.43 0.54 -0.42 118.68 127.04 3kn2 s LEU 126 Ca 0.04 2.73 0.17 0.00 -1.03 0.00 0.00 54.13 56.05 3kn2 s LEU 126 Cb -0.13 -3.63 0.80 0.00 0.03 0.00 0.00 46.19 43.26 3kn2 s LEU 126 CO 0.02 -0.71 1.54 0.18 0.23 0.00 0.00 176.35 177.61 3kn2 n LEU 127 N 1.91 0.00 -3.23 1.79 4.77 -0.66 -4.20 117.00 117.39 3kn2 n LEU 127 Ca 0.05 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.43 3kn2 n LEU 127 Cb 0.40 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3kn2 n LEU 127 CO 0.61 -0.17 0.04 -0.44 -1.33 0.00 0.00 177.39 176.10 3kn2 s SER 128 N -2.82 -0.92 0.34 -1.43 0.01 -1.26 -5.12 113.70 102.49 3kn2 s SER 128 Ca 0.12 -0.51 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 3kn2 s SER 128 Cb 0.12 1.67 -0.13 0.00 0.21 0.00 0.00 66.02 67.88 3kn2 s SER 128 CO 0.30 -0.25 0.82 -2.65 0.41 0.00 0.00 173.24 171.87 3kn2 n PRO 129 N 4.87 0.97 -4.30 12.44 -0.02 -1.26 -5.00 135.00 142.70 3kn2 n PRO 129 Ca 0.07 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.68 3kn2 n PRO 129 Cb 0.53 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 3kn2 n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kn2 s ARG 130 N -1.57 1.17 0.48 -0.52 1.81 -0.27 -4.93 118.95 115.12 3kn2 s ARG 130 Ca 0.61 -1.30 -0.24 0.00 -1.72 0.00 0.00 55.73 53.09 3kn2 s ARG 130 Cb -0.68 -1.25 -0.07 0.00 -0.45 0.00 0.00 34.95 32.50 3kn2 s ARG 130 CO 0.58 0.26 1.39 -1.25 -0.68 0.00 0.00 175.30 175.61 3kn2 s PRO 131 N -2.51 3.51 0.48 3.54 0.04 -1.26 0.44 135.00 139.24 3kn2 s PRO 131 Ca 0.11 2.33 0.29 0.00 0.04 0.00 0.00 61.00 63.78 3kn2 s PRO 131 Cb -0.07 -2.52 1.37 0.00 0.04 0.00 0.00 34.50 33.32 3kn2 s PRO 131 CO 0.05 -0.93 1.78 0.97 0.04 0.00 0.00 177.00 178.91 3kn2 h ILE 132 N 2.01 0.43 -0.79 0.56 6.09 -1.00 0.10 117.51 124.91 3kn2 h ILE 132 Ca -0.51 -0.06 0.12 0.00 -1.37 0.00 0.00 64.86 63.04 3kn2 h ILE 132 Cb 1.28 0.25 -0.06 0.00 0.47 0.00 0.00 36.82 38.76 3kn2 h ILE 132 CO 0.60 0.03 0.52 0.77 -3.07 0.00 0.00 178.15 177.00 3kn2 h SER 133 N 0.16 0.58 0.20 2.19 4.64 -1.88 -0.51 113.55 118.93 3kn2 h SER 133 Ca 0.60 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.91 3kn2 h SER 133 Cb 1.99 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3kn2 h SER 133 CO -0.15 0.32 -0.16 0.22 -0.87 0.00 0.00 176.83 176.20 3kn2 h TYR 134 N 0.63 0.00 -0.01 4.77 3.20 -1.31 -2.80 116.97 121.45 3kn2 h TYR 134 Ca 0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 3kn2 h TYR 134 Cb 0.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3kn2 h TYR 134 CO -0.00 0.16 -0.52 1.28 -1.64 0.00 0.00 178.16 177.43 3kn2 n LEU 135 N -4.18 1.87 -4.76 2.82 4.32 -0.25 -4.92 117.00 111.90 3kn2 n LEU 135 Ca -0.02 -0.70 -0.39 0.00 -0.02 0.00 0.00 56.01 54.88 3kn2 n LEU 135 Cb 0.23 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 42.03 3kn2 n LEU 135 CO 0.35 0.35 0.97 -0.54 -1.22 0.00 0.00 177.39 177.30 3kn2 s LYS 136 N -2.54 3.62 0.00 3.23 -0.14 -0.90 -2.84 119.74 120.18 3kn2 s LYS 136 Ca 0.18 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 56.95 3kn2 s LYS 136 Cb 0.18 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 3kn2 s LYS 136 CO 0.60 -0.78 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 3kn2 n GLY 137 N 0.63 0.55 0.51 -3.33 0.00 -1.26 -4.80 105.19 97.48 3kn2 n GLY 137 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3kn2 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kn2 n SER 138 N -0.11 1.99 -4.71 1.61 7.64 -1.13 -3.63 113.62 115.27 3kn2 n SER 138 Ca 0.00 -1.49 -0.43 0.00 1.01 0.00 0.00 58.87 57.96 3kn2 n SER 138 Cb 0.06 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 3kn2 n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kn2 n SER 139 N 0.31 3.48 0.00 6.43 7.64 -1.26 -0.96 113.62 129.26 3kn2 n SER 139 Ca 0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3kn2 n SER 139 Cb 0.39 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 3kn2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kn2 n GLY 140 N 2.44 2.32 3.67 0.23 0.00 0.43 -0.93 105.19 113.35 3kn2 n GLY 140 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3kn2 n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kn2 s GLY 141 N -2.53 1.56 0.17 -0.02 0.00 -0.14 -3.38 107.32 102.99 3kn2 s GLY 141 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 3kn2 s GLY 141 CO 0.00 0.18 0.38 2.56 0.00 0.00 0.00 173.10 176.23 3kn2 s PRO 142 N -5.04 3.58 -0.27 2.90 0.04 -1.26 -0.48 135.00 134.47 3kn2 s PRO 142 Ca 0.66 -0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.46 3kn2 s PRO 142 Cb -0.17 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3kn2 s PRO 142 CO 0.57 0.44 0.08 -0.51 0.04 0.00 0.00 177.00 177.61 3kn2 s LEU 143 N -2.89 3.64 0.18 -3.56 2.01 -0.21 -2.59 118.68 115.26 3kn2 s LEU 143 Ca 0.40 -0.46 0.06 0.00 0.01 0.00 0.00 54.13 54.14 3kn2 s LEU 143 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 3kn2 s LEU 143 CO 0.26 -0.12 0.11 -0.76 1.01 0.00 0.00 176.35 176.86 3kn2 s LEU 144 N 1.56 3.69 0.63 1.79 1.02 0.65 -0.37 118.68 127.66 3kn2 s LEU 144 Ca 0.05 -0.21 0.07 0.00 0.02 0.00 0.00 54.13 54.06 3kn2 s LEU 144 Cb -0.16 -2.30 0.11 0.00 0.02 0.00 0.00 46.19 43.86 3kn2 s LEU 144 CO 0.03 0.06 0.87 0.00 0.02 0.00 0.00 176.35 177.33 3kn2 h PRO 146 N -0.07 0.00 -0.42 0.00 0.11 -1.91 0.14 132.00 129.85 3kn2 h PRO 146 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kn2 h PRO 146 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kn2 h PRO 146 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 3kn2 n ALA 147 N -2.05 2.44 -1.07 -0.75 0.00 -1.26 -4.92 120.51 112.90 3kn2 n ALA 147 Ca 0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 53.44 52.53 3kn2 n ALA 147 Cb 0.42 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 3kn2 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kn2 n GLY 148 N 1.38 0.50 3.87 0.00 0.00 0.48 -5.01 105.19 106.41 3kn2 n GLY 148 Ca 0.18 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3kn2 n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kn2 s HIS 149 N -1.79 3.45 -0.07 1.61 3.76 -1.26 -4.78 115.29 116.22 3kn2 s HIS 149 Ca 0.00 1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 55.64 3kn2 s HIS 149 Cb 0.00 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 3kn2 s HIS 149 CO 0.00 -0.02 1.41 0.00 -0.85 0.00 0.00 174.74 175.28 3kn2 s ALA 150 N -2.24 3.61 -0.24 -1.40 0.00 0.53 -1.65 121.76 120.36 3kn2 s ALA 150 Ca 0.51 0.74 0.06 0.00 0.00 0.00 0.00 51.96 53.27 3kn2 s ALA 150 Cb -0.10 -3.64 -0.19 0.00 0.00 0.00 0.00 23.12 19.19 3kn2 s ALA 150 CO 0.28 -1.12 -0.16 0.28 0.00 0.00 0.00 175.76 175.04 3kn2 n VAL 151 N 5.12 1.46 -3.89 0.00 0.31 0.50 0.11 118.33 121.95 3kn2 n VAL 151 Ca 0.14 -0.64 -0.02 0.00 -0.01 0.00 0.00 64.34 63.82 3kn2 n VAL 151 Cb 0.44 -1.19 0.01 0.00 -0.91 0.00 0.00 33.84 32.19 3kn2 n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kn2 s GLY 152 N -6.27 0.03 -0.19 2.92 0.00 -1.14 -1.63 107.32 101.04 3kn2 s GLY 152 Ca -0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.20 3kn2 s GLY 152 CO 0.65 2.84 -0.05 -2.27 0.00 0.00 0.00 173.10 174.27 3kn2 s LEU 153 N -3.44 2.94 -0.15 0.66 2.96 0.14 -1.04 118.68 120.74 3kn2 s LEU 153 Ca 0.23 -0.33 -0.33 0.00 -0.22 0.00 0.00 54.13 53.48 3kn2 s LEU 153 Cb -0.02 -1.73 -0.10 0.00 0.50 0.00 0.00 46.19 44.84 3kn2 s LEU 153 CO 0.04 0.05 2.02 0.33 -1.32 0.00 0.00 176.35 177.46 3kn2 n PHE 154 N 4.35 2.14 -0.09 5.38 7.35 0.36 -0.57 117.46 136.38 3kn2 n PHE 154 Ca -0.18 -0.01 -0.12 0.00 -0.76 0.00 0.00 57.45 56.37 3kn2 n PHE 154 Cb 0.51 -2.67 -0.05 0.00 0.35 0.00 0.00 39.48 37.63 3kn2 n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kn2 n ARG 155 N 7.44 0.52 -3.60 -4.13 0.63 0.01 -0.43 116.66 117.09 3kn2 n ARG 155 Ca 0.27 0.39 -0.15 0.00 -0.92 0.00 0.00 57.85 57.44 3kn2 n ARG 155 Cb 0.32 -1.58 -0.07 0.00 0.45 0.00 0.00 32.46 31.58 3kn2 n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kn2 s ALA 156 N -2.71 -1.36 0.04 5.13 0.00 -1.02 -4.79 121.76 117.05 3kn2 s ALA 156 Ca -0.25 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 3kn2 s ALA 156 Cb 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 3kn2 s ALA 156 CO 0.39 -0.38 0.62 0.00 0.00 0.00 0.00 175.76 176.39 3kn2 s ALA 157 N -1.62 3.50 -0.53 0.00 0.00 -1.26 0.25 121.76 122.09 3kn2 s ALA 157 Ca -0.10 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 3kn2 s ALA 157 Cb -0.02 -2.76 0.12 0.00 0.00 0.00 0.00 23.12 20.47 3kn2 s ALA 157 CO 0.05 0.23 0.50 0.08 0.00 0.00 0.00 175.76 176.61 3kn2 s VAL 158 N -0.51 5.20 0.27 0.00 1.01 0.10 -4.90 120.40 121.57 3kn2 s VAL 158 Ca 0.32 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.90 3kn2 s VAL 158 Cb -0.19 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3kn2 s VAL 158 CO 0.19 -0.84 0.43 0.00 0.00 0.00 0.00 175.10 174.88 3kn2 s THR 160 N -2.07 -0.02 -0.84 0.00 2.01 -0.56 -4.87 115.64 109.29 3kn2 s THR 160 Ca 0.37 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 3kn2 s THR 160 Cb -0.10 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3kn2 s THR 160 CO 0.31 -0.83 0.72 0.54 -0.69 0.00 0.00 174.62 174.68 3kn2 n ARG 161 N 4.56 -4.85 -0.43 4.92 1.74 -1.26 -3.09 116.66 118.25 3kn2 n ARG 161 Ca 0.05 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 3kn2 n ARG 161 Cb 0.40 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 27.17 3kn2 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kn2 n GLY 162 N -1.35 1.49 3.38 -0.13 0.00 -1.26 -5.02 105.19 102.31 3kn2 n GLY 162 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3kn2 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kn2 s VAL 163 N -3.20 3.60 -0.37 1.61 0.11 -1.18 -0.34 120.40 120.63 3kn2 s VAL 163 Ca 0.00 -0.43 -0.26 0.00 -2.93 0.00 0.00 61.98 58.36 3kn2 s VAL 163 Cb 0.00 -2.62 0.02 0.00 -1.53 0.00 0.00 36.38 32.25 3kn2 s VAL 163 CO 0.00 0.44 0.96 0.00 -3.33 0.00 0.00 175.10 173.17 3kn2 s ALA 164 N 1.09 3.40 -0.11 1.54 0.00 0.17 -1.49 121.76 126.36 3kn2 s ALA 164 Ca 0.02 -0.41 0.12 0.00 0.00 0.00 0.00 51.96 51.68 3kn2 s ALA 164 Cb -0.15 -3.58 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 3kn2 s ALA 164 CO 0.00 -1.64 0.30 1.63 0.00 0.00 0.00 175.76 176.05 3kn2 n LYS 165 N 6.86 0.84 -4.06 0.00 5.02 -1.15 -1.11 118.16 124.55 3kn2 n LYS 165 Ca 0.08 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 3kn2 n LYS 165 Cb 0.48 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 3kn2 n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kn2 s ALA 166 N -2.70 0.27 0.03 7.82 0.00 -1.17 -0.34 121.76 125.67 3kn2 s ALA 166 Ca -0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3kn2 s ALA 166 Cb 0.08 1.16 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 3kn2 s ALA 166 CO 0.49 -0.74 0.04 0.14 0.00 0.00 0.00 175.76 175.69 3kn2 s VAL 167 N -4.06 0.13 -0.04 0.00 -7.23 -0.57 0.01 120.40 108.64 3kn2 s VAL 167 Ca 0.28 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.35 3kn2 s VAL 167 Cb 0.02 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 3kn2 s VAL 167 CO 0.09 -0.60 0.08 -1.81 -0.31 0.00 0.00 175.10 172.56 3kn2 s ASP 168 N -1.91 5.76 0.05 4.85 -0.00 0.14 -2.43 116.67 123.12 3kn2 s ASP 168 Ca -0.08 0.21 -0.05 0.00 -0.00 0.00 0.00 52.55 52.63 3kn2 s ASP 168 Cb -0.04 -1.70 -0.02 0.00 -0.00 0.00 0.00 42.92 41.17 3kn2 s ASP 168 CO -0.03 0.32 0.07 0.72 -0.00 0.00 0.00 175.17 176.25 3kn2 s PHE 169 N -1.11 0.28 -0.39 4.23 -0.12 -0.40 -0.81 117.98 119.65 3kn2 s PHE 169 Ca 0.20 -0.67 -0.16 0.00 -0.05 0.00 0.00 56.93 56.25 3kn2 s PHE 169 Cb -0.12 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.09 3kn2 s PHE 169 CO 0.10 -0.39 0.39 0.42 -0.05 0.00 0.00 175.22 175.69 3kn2 s ILE 170 N -3.14 5.14 0.43 -4.49 1.01 0.26 -4.58 121.20 115.83 3kn2 s ILE 170 Ca -0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 3kn2 s ILE 170 Cb 0.02 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 3kn2 s ILE 170 CO -0.07 -0.29 1.07 -2.65 0.00 0.00 0.00 174.94 173.00 3kn2 n PRO 171 N 5.46 1.46 0.23 2.79 -0.02 -1.26 -0.69 135.00 142.98 3kn2 n PRO 171 Ca -0.08 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 3kn2 n PRO 171 Cb 0.48 -2.12 0.80 0.00 -0.02 0.00 0.00 33.50 32.64 3kn2 n PRO 171 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3kn2 h VAL 172 N 1.63 0.65 -0.72 -1.45 -1.51 -1.61 -0.62 116.25 112.61 3kn2 h VAL 172 Ca -0.45 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.09 3kn2 h VAL 172 Cb 1.33 0.92 -0.05 0.00 -2.13 0.00 0.00 31.29 31.37 3kn2 h VAL 172 CO 0.57 0.00 0.47 -0.33 -1.23 0.00 0.00 177.57 177.05 3kn2 h GLU 173 N 0.00 0.67 -0.56 5.19 3.07 -1.88 0.20 114.58 121.27 3kn2 h GLU 173 Ca 0.05 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 3kn2 h GLU 173 Cb 0.25 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3kn2 h GLU 173 CO -0.00 0.45 -0.10 -0.91 -1.40 0.00 0.00 179.01 177.05 3kn2 h ASN 174 N 0.69 1.04 0.04 1.42 4.21 -1.45 0.74 115.58 122.28 3kn2 h ASN 174 Ca 0.32 -0.34 -0.00 0.00 1.21 0.00 0.00 56.30 57.48 3kn2 h ASN 174 Cb 0.34 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3kn2 h ASN 174 CO -0.11 1.14 -0.02 -0.07 -1.29 0.00 0.00 177.43 177.09 3kn2 h LEU 175 N 0.93 -0.04 -0.82 1.61 4.07 -1.09 0.56 115.31 120.52 3kn2 h LEU 175 Ca 0.15 -0.24 0.13 0.00 0.08 0.00 0.00 57.88 57.99 3kn2 h LEU 175 Cb 0.67 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.33 3kn2 h LEU 175 CO 0.05 0.22 0.42 -0.33 -1.08 0.00 0.00 178.44 177.72 3kn2 h GLU 176 N -0.30 0.63 -0.49 1.13 5.08 -0.47 -1.18 114.58 118.98 3kn2 h GLU 176 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3kn2 h GLU 176 Cb 0.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kn2 h GLU 176 CO 0.01 0.42 -0.19 1.15 -1.00 0.00 0.00 179.01 179.40 3kn2 h THR 177 N 0.65 1.27 -0.05 1.13 2.02 -0.59 -2.96 112.91 114.38 3kn2 h THR 177 Ca 0.43 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 3kn2 h THR 177 Cb 0.54 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3kn2 h THR 177 CO -0.32 0.47 -0.08 0.74 0.37 0.00 0.00 175.52 176.70 3kn2 h THR 178 N 0.85 1.09 0.00 3.16 2.02 0.32 -3.51 112.91 116.84 3kn2 h THR 178 Ca 0.12 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3kn2 h THR 178 Cb 0.76 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3kn2 h THR 178 CO 0.06 0.12 0.00 0.23 0.37 0.00 0.00 175.52 176.30