#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krn n GLY 3 N 0.00 -2.32 3.83 0.00 0.00 -1.02 -4.96 105.19 100.72 3krn n GLY 3 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 3krn n GLY 3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3krn s ARG 4 N 0.00 1.89 0.44 1.61 3.03 -1.26 -4.75 118.95 119.90 3krn s ARG 4 Ca 0.00 -1.21 -0.23 0.00 2.03 0.00 0.00 55.73 56.32 3krn s ARG 4 Cb 0.00 0.53 -0.08 0.00 -1.03 0.00 0.00 34.95 34.37 3krn s ARG 4 CO 0.00 -0.88 1.09 -0.48 -1.13 0.00 0.00 175.30 173.90 3krn s LEU 5 N -3.19 4.03 0.35 -1.89 -0.00 -1.26 -3.99 118.68 112.73 3krn s LEU 5 Ca 0.18 2.11 -0.27 0.00 -0.00 0.00 0.00 54.13 56.15 3krn s LEU 5 Cb -0.04 -4.29 -0.09 0.00 -0.00 0.00 0.00 46.19 41.77 3krn s LEU 5 CO 0.09 -0.72 1.15 -0.60 -0.00 0.00 0.00 176.35 176.28 3krn s ARG 6 N -2.73 4.29 0.25 1.48 6.06 -1.26 -4.96 118.95 122.09 3krn s ARG 6 Ca 0.62 1.84 -0.31 0.00 -2.50 0.00 0.00 55.73 55.38 3krn s ARG 6 Cb -0.23 -2.88 -0.13 0.00 0.06 0.00 0.00 34.95 31.77 3krn s ARG 6 CO 0.28 -0.11 1.43 0.39 -2.50 0.00 0.00 175.30 174.80 3krn n GLU 7 N 0.51 2.14 -5.05 5.12 1.02 -1.26 -4.84 120.64 118.28 3krn n GLU 7 Ca 0.02 0.76 -0.31 0.00 -0.02 0.00 0.00 57.16 57.61 3krn n GLU 7 Cb 0.46 -2.43 -0.14 0.00 -0.02 0.00 0.00 31.44 29.30 3krn n GLU 7 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3krn s MET 8 N -0.44 2.20 0.06 3.49 -2.45 -1.26 -1.43 119.30 119.46 3krn s MET 8 Ca 0.67 -0.88 -0.27 0.00 -1.25 0.00 0.00 55.69 53.97 3krn s MET 8 Cb -0.62 -2.16 0.08 0.00 1.25 0.00 0.00 34.83 33.37 3krn s MET 8 CO 0.50 0.57 0.67 0.50 1.05 0.00 0.00 175.02 178.31 3krn s ARG 9 N -0.83 1.13 -0.30 4.11 3.52 -1.25 -4.95 118.95 120.38 3krn s ARG 9 Ca 0.11 -0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.44 3krn s ARG 9 Cb -0.10 0.52 0.15 0.00 -1.56 0.00 0.00 34.95 33.96 3krn s ARG 9 CO 0.01 -0.45 0.74 0.00 -0.81 0.00 0.00 175.30 174.79 3krn s GLU 11 N 2.79 4.02 0.56 0.00 2.02 -0.69 -4.91 118.70 122.50 3krn s GLU 11 Ca -0.00 0.93 0.08 0.00 0.02 0.00 0.00 54.97 56.00 3krn s GLU 11 Cb -0.11 -2.20 0.07 0.00 0.10 0.00 0.00 34.13 31.99 3krn s GLU 11 CO -0.19 -0.14 0.64 -1.17 0.02 0.00 0.00 175.26 174.43 3krn s LEU 12 N -3.68 2.97 0.94 1.80 1.98 -1.26 -0.92 118.68 120.50 3krn s LEU 12 Ca 0.59 -0.99 -0.10 0.00 -2.89 0.00 0.00 54.13 50.74 3krn s LEU 12 Cb -0.10 -1.49 0.16 0.00 0.66 0.00 0.00 46.19 45.43 3krn s LEU 12 CO 0.24 -1.24 1.13 -0.55 -1.89 0.00 0.00 176.35 174.05 3krn s SER 13 N -4.52 2.69 -0.38 3.68 0.15 -1.26 -4.61 113.70 109.45 3krn s SER 13 Ca 0.51 2.12 0.09 0.00 0.70 0.00 0.00 55.95 59.37 3krn s SER 13 Cb -0.04 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.09 3krn s SER 13 CO 0.32 -3.23 1.35 0.49 1.20 0.00 0.00 173.24 173.37 3krn n PHE 14 N -4.31 -2.26 -4.40 3.44 3.01 -1.26 -4.99 117.46 106.69 3krn n PHE 14 Ca 0.11 -1.79 -0.25 0.00 1.01 0.00 0.00 57.45 56.53 3krn n PHE 14 Cb 0.52 1.56 -0.10 0.00 -0.01 0.00 0.00 39.48 41.46 3krn n PHE 14 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3krn s LEU 15 N -3.21 2.72 -0.44 4.37 1.02 -1.26 -5.20 118.68 116.68 3krn s LEU 15 Ca 0.19 -0.85 0.05 0.00 0.02 0.00 0.00 54.13 53.55 3krn s LEU 15 Cb 0.38 -1.32 0.19 0.00 0.02 0.00 0.00 46.19 45.46 3krn s LEU 15 CO -0.09 0.06 0.50 0.29 0.02 0.00 0.00 176.35 177.14 3krn n LYS 16 N -0.34 0.39 -3.23 1.70 5.02 -1.26 -5.12 118.16 115.32 3krn n LYS 16 Ca -0.08 -2.78 -0.21 0.00 -2.02 0.00 0.00 58.31 53.22 3krn n LYS 16 Cb 0.58 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3krn n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krn s ALA 18 N 0.15 3.95 0.09 7.82 0.00 -1.26 -5.28 121.76 127.23 3krn s ALA 18 Ca 0.32 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3krn s ALA 18 Cb 0.06 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 3krn s ALA 18 CO -0.15 -0.21 1.49 -0.44 0.00 0.00 0.00 175.76 176.45 3krn h ASP 19 N 0.63 0.50 -3.03 0.00 5.19 -1.98 -3.40 116.42 114.33 3krn h ASP 19 Ca -0.46 -0.35 -0.56 0.00 -0.62 0.00 0.00 57.03 55.04 3krn h ASP 19 Cb 1.25 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 3krn h ASP 19 CO 0.56 0.73 0.77 -0.83 -3.12 0.00 0.00 179.24 177.34 3krn s GLY 20 N -3.25 1.95 -0.00 2.75 0.00 0.00 -4.72 107.32 104.04 3krn s GLY 20 Ca -0.13 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 44.85 3krn s GLY 20 CO 0.76 2.30 0.70 -0.56 0.00 0.00 0.00 173.10 176.30 3krn s SER 21 N 1.62 -0.59 0.00 1.64 0.01 -1.20 0.11 113.70 115.29 3krn s SER 21 Ca 0.55 0.47 0.00 0.00 1.31 0.00 0.00 55.95 58.27 3krn s SER 21 Cb -0.23 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.52 3krn s SER 21 CO 0.19 -0.68 0.00 0.00 0.41 0.00 0.00 173.24 173.16 3krn n ALA 22 N 0.50 0.00 -3.51 1.44 0.00 -1.14 -4.16 120.51 113.63 3krn n ALA 22 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3krn n ALA 22 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.94 3krn n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krn n PHE 24 N 5.36 2.63 -2.31 0.00 7.35 0.90 -1.70 117.46 129.69 3krn n PHE 24 Ca -0.05 -2.81 -0.35 0.00 -0.76 0.00 0.00 57.45 53.48 3krn n PHE 24 Cb 0.50 -1.83 -0.03 0.00 0.35 0.00 0.00 39.48 38.47 3krn n PHE 24 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3krn s SER 25 N 0.36 5.87 0.02 -2.13 0.15 -1.21 -3.20 113.70 113.55 3krn s SER 25 Ca 0.52 -1.97 0.02 0.00 0.70 0.00 0.00 55.95 55.22 3krn s SER 25 Cb 0.17 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 3krn s SER 25 CO -0.08 -2.19 -0.06 0.00 1.20 0.00 0.00 173.24 172.11 3krn s GLN 26 N 5.46 0.45 -1.02 5.44 1.03 -1.05 -3.88 119.66 126.09 3krn s GLN 26 Ca 0.61 -0.45 -0.00 0.00 0.04 0.00 0.00 55.36 55.56 3krn s GLN 26 Cb 0.01 -0.32 0.00 0.00 0.03 0.00 0.00 33.01 32.74 3krn s GLN 26 CO 0.10 0.07 0.85 0.41 -2.54 0.00 0.00 175.29 174.18 3krn n GLY 27 N 2.24 -0.24 4.03 2.60 0.00 -0.52 -2.54 105.19 110.76 3krn n GLY 27 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3krn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krn n ALA 28 N -3.68 0.00 -3.10 4.61 0.00 -1.26 -4.75 120.51 112.33 3krn n ALA 28 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 3krn n ALA 28 Cb 0.64 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 3krn n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3krn n THR 29 N -1.99 2.19 -2.08 0.00 -2.24 -1.05 -4.50 114.28 104.60 3krn n THR 29 Ca 0.00 -5.25 -0.42 0.00 -2.27 0.00 0.00 64.05 56.10 3krn n THR 29 Cb 0.00 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 3krn n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krn s ILE 31 N 6.78 2.23 0.05 0.00 -4.36 -1.19 -3.82 121.20 120.89 3krn s ILE 31 Ca 0.74 -2.04 0.08 0.00 -0.26 0.00 0.00 60.65 59.18 3krn s ILE 31 Cb -0.20 -2.07 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 3krn s ILE 31 CO 0.32 -0.19 -0.23 -1.66 0.24 0.00 0.00 174.94 173.42 3krn s TRP 32 N -1.85 2.43 0.35 1.37 1.48 -1.01 -0.07 118.94 121.64 3krn s TRP 32 Ca 0.20 -0.34 0.04 0.00 -1.06 0.00 0.00 56.10 54.94 3krn s TRP 32 Cb -0.07 -1.41 -0.04 0.00 -1.16 0.00 0.00 33.47 30.79 3krn s TRP 32 CO 0.10 0.20 0.13 0.00 -4.06 0.00 0.00 176.95 173.32 3krn s ALA 33 N -0.88 2.43 -0.21 2.67 0.00 -1.21 -1.61 121.76 122.94 3krn s ALA 33 Ca 0.13 -1.60 -0.36 0.00 0.00 0.00 0.00 51.96 50.13 3krn s ALA 33 Cb -0.10 0.90 0.15 0.00 0.00 0.00 0.00 23.12 24.06 3krn s ALA 33 CO 0.04 -0.40 1.33 -1.54 0.00 0.00 0.00 175.76 175.19 3krn s SER 34 N -3.49 -0.05 -0.48 0.00 1.04 -1.22 -2.91 113.70 106.59 3krn s SER 34 Ca 0.31 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.78 3krn s SER 34 Cb 0.05 0.06 0.22 0.00 0.10 0.00 0.00 66.02 66.45 3krn s SER 34 CO 0.16 -0.11 0.86 0.00 0.98 0.00 0.00 173.24 175.14 3krn n ASN 60 N 2.14 1.82 -0.31 0.00 5.15 -1.26 -0.82 115.26 121.98 3krn n ASN 60 Ca 0.12 -3.14 0.13 0.00 -0.60 0.00 0.00 54.58 51.09 3krn n ASN 60 Cb 0.61 -0.62 0.37 0.00 -0.53 0.00 0.00 39.78 39.62 3krn n ASN 60 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3krn n ILE 73 N -0.44 0.00 0.02 0.00 -6.64 -1.26 -3.47 119.36 107.58 3krn n ILE 73 Ca 0.13 0.00 0.22 0.00 -1.77 0.00 0.00 62.75 61.33 3krn n ILE 73 Cb 0.36 -0.51 0.73 0.00 -1.44 0.00 0.00 39.64 38.78 3krn n ILE 73 CO 0.00 0.00 0.00 1.12 -1.77 0.00 0.00 176.55 175.90 3krn h HIS 74 N 0.00 0.00 -0.02 4.28 2.07 -2.04 1.70 115.15 121.14 3krn h HIS 74 Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 3krn h HIS 74 Cb 0.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 3krn h HIS 74 CO 0.00 0.00 -0.82 0.66 -3.07 0.00 0.00 177.93 174.70 3krn h SER 75 N 0.00 0.32 0.82 3.10 4.64 -1.98 -3.36 113.55 117.09 3krn h SER 75 Ca 0.25 -0.24 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 3krn h SER 75 Cb 1.19 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3krn h SER 75 CO -0.00 1.01 -1.05 0.00 -0.87 0.00 0.00 176.83 175.92 3krn h THR 76 N 0.15 1.61 -3.08 2.95 1.03 0.20 -3.45 112.91 112.33 3krn h THR 76 Ca -0.04 -3.17 -0.60 0.00 -0.01 0.00 0.00 66.41 62.59 3krn h THR 76 Cb 1.42 2.81 -0.05 0.00 -1.07 0.00 0.00 68.15 71.26 3krn h THR 76 CO 0.13 0.91 -0.17 -0.22 -0.01 0.00 0.00 175.52 176.16 3krn s LEU 77 N -6.97 4.46 0.11 0.00 1.98 0.18 -4.97 118.68 113.46 3krn s LEU 77 Ca -0.01 1.00 0.00 0.00 -2.89 0.00 0.00 54.13 52.23 3krn s LEU 77 Cb 0.09 -2.73 0.00 0.00 0.66 0.00 0.00 46.19 44.21 3krn s LEU 77 CO 0.84 0.28 0.00 -0.24 -1.89 0.00 0.00 176.35 175.34 3krn n SER 78 N 1.61 0.04 -3.73 3.68 2.88 -1.26 -4.88 113.62 111.96 3krn n SER 78 Ca -0.12 0.18 -0.25 0.00 -1.33 0.00 0.00 58.87 57.35 3krn n SER 78 Cb 0.52 0.11 -0.17 0.00 -0.75 0.00 0.00 64.21 63.92 3krn n SER 78 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3krn s ASN 79 N -4.64 2.11 0.22 -3.46 3.04 -1.26 -5.13 114.94 105.82 3krn s ASN 79 Ca 0.00 -0.39 0.04 0.00 0.04 0.00 0.00 52.86 52.55 3krn s ASN 79 Cb 0.00 -0.46 -0.03 0.00 -1.54 0.00 0.00 41.25 39.22 3krn s ASN 79 CO 0.00 -0.25 0.35 0.00 -3.04 0.00 0.00 177.10 174.16 3krn s ALA 80 N 1.96 3.93 0.31 1.71 0.00 -1.26 -4.10 121.76 124.30 3krn s ALA 80 Ca 0.03 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 3krn s ALA 80 Cb -0.14 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 3krn s ALA 80 CO -0.06 0.30 1.14 0.96 0.00 0.00 0.00 175.76 178.10 3krn s ILE 81 N -1.94 3.31 0.04 0.00 -5.25 -1.26 -5.09 121.20 111.02 3krn s ILE 81 Ca 0.34 1.29 -0.27 0.00 -0.99 0.00 0.00 60.65 61.03 3krn s ILE 81 Cb -0.10 -3.81 0.08 0.00 2.95 0.00 0.00 42.46 41.59 3krn s ILE 81 CO 0.29 0.28 0.71 0.54 -1.79 0.00 0.00 174.94 174.98 3krn s ASN 82 N -0.85 -0.54 -0.14 4.36 4.22 -1.26 -5.02 114.94 115.71 3krn s ASN 82 Ca 0.47 0.23 -0.11 0.00 -2.14 0.00 0.00 52.86 51.31 3krn s ASN 82 Cb -0.33 0.51 -0.07 0.00 1.28 0.00 0.00 41.25 42.65 3krn s ASN 82 CO 0.43 -0.75 0.01 0.25 -2.04 0.00 0.00 177.10 175.00 3krn h LEU 83 N 2.32 0.00 0.00 3.54 6.46 -1.98 -3.51 115.31 122.13 3krn h LEU 83 Ca -0.28 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 3krn h LEU 83 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 3krn h LEU 83 CO 0.36 0.84 0.00 0.35 -0.62 0.00 0.00 178.44 179.37 3krn n THR 94 N -4.63 0.00 -4.12 1.05 -2.24 -1.26 -4.60 114.28 98.48 3krn n THR 94 Ca -0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3krn n THR 94 Cb 0.29 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 3krn n THR 94 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3krn s VAL 95 N -0.21 0.63 0.05 2.28 1.01 -1.26 -3.43 120.40 119.47 3krn s VAL 95 Ca 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 61.98 60.48 3krn s VAL 95 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3krn s VAL 95 CO 0.00 -0.66 -0.19 -2.28 0.00 0.00 0.00 175.10 171.97 3krn s HIS 96 N -2.65 1.69 -0.28 5.22 2.46 -0.64 -5.02 115.29 116.07 3krn s HIS 96 Ca 0.02 -0.38 0.01 0.00 0.47 0.00 0.00 55.06 55.19 3krn s HIS 96 Cb -0.01 -1.00 0.06 0.00 -0.13 0.00 0.00 32.58 31.50 3krn s HIS 96 CO -0.03 0.09 -0.05 0.20 -2.47 0.00 0.00 174.74 172.49 3krn s GLY 97 N -1.25 1.72 0.22 1.59 0.00 -1.26 -2.40 107.32 105.93 3krn s GLY 97 Ca 0.06 -1.81 0.10 0.00 0.00 0.00 0.00 44.72 43.07 3krn s GLY 97 CO 0.02 0.67 1.49 0.16 0.00 0.00 0.00 173.10 175.43 3krn h ILE 98 N 6.62 1.51 -1.97 0.90 3.07 -1.92 -3.25 117.51 122.47 3krn h ILE 98 Ca -0.19 -2.60 -0.03 0.00 1.55 0.00 0.00 64.86 63.59 3krn h ILE 98 Cb 1.05 2.41 -0.21 0.00 -0.27 0.00 0.00 36.82 39.80 3krn h ILE 98 CO 0.50 0.73 0.15 -1.58 -1.05 0.00 0.00 178.15 176.91 3krn s GLN 99 N -3.25 0.81 -0.09 0.16 0.74 -1.25 -4.73 119.66 112.04 3krn s GLN 99 Ca -0.00 0.97 0.01 0.00 0.05 0.00 0.00 55.36 56.39 3krn s GLN 99 Cb 0.11 0.39 0.02 0.00 1.10 0.00 0.00 33.01 34.63 3krn s GLN 99 CO 0.78 -0.10 -0.12 0.34 -0.55 0.00 0.00 175.29 175.64 3krn s ASP 100 N 0.39 2.12 0.00 6.67 2.15 -1.23 -4.18 116.67 122.60 3krn s ASP 100 Ca 0.00 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 52.67 3krn s ASP 100 Cb -0.05 -0.92 0.06 0.00 -0.30 0.00 0.00 42.92 41.70 3krn s ASP 100 CO 0.00 -0.02 0.84 0.47 -0.17 0.00 0.00 175.17 176.29 3krn n ASP 101 N 4.27 0.00 0.00 -0.34 9.92 -1.26 -5.06 116.55 124.08 3krn n ASP 101 Ca -0.19 -1.63 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 3krn n ASP 101 Cb 0.51 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 3krn n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3krn n GLY 102 N 0.07 3.08 3.67 0.44 0.00 -1.26 -3.46 105.19 107.73 3krn n GLY 102 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3krn n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krn n SER 103 N 0.00 3.98 0.36 1.61 7.64 -1.26 -4.70 113.62 121.24 3krn n SER 103 Ca 0.00 0.95 -0.17 0.00 1.01 0.00 0.00 58.87 60.66 3krn n SER 103 Cb 0.00 -1.50 -0.08 0.00 -1.01 0.00 0.00 64.21 61.61 3krn n SER 103 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3krn h MET 104 N 9.56 -0.89 0.00 1.43 4.05 -1.99 -3.37 114.93 123.72 3krn h MET 104 Ca -0.48 0.06 -0.41 0.00 -0.28 0.00 0.00 59.70 58.59 3krn h MET 104 Cb 1.24 0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 32.18 3krn h MET 104 CO 0.94 -0.56 -2.21 0.41 0.23 0.00 0.00 176.91 175.72 3krn n GLY 105 N -1.05 -0.55 0.30 1.39 0.00 -1.26 -3.73 105.19 100.30 3krn n GLY 105 Ca -0.13 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3krn n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krn n ALA 106 N -4.01 0.27 -0.05 4.61 0.00 -1.25 0.18 120.51 120.26 3krn n ALA 106 Ca -0.49 0.93 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 3krn n ALA 106 Cb 0.84 -0.59 -0.12 0.00 0.00 0.00 0.00 19.45 19.57 3krn n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3krn h VAL 107 N 0.00 1.69 0.00 0.00 2.07 -1.80 -1.93 116.25 116.28 3krn h VAL 107 Ca 0.44 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3krn h VAL 107 Cb 0.74 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 3krn h VAL 107 CO -0.86 0.56 0.00 0.00 0.02 0.00 0.00 177.57 177.29 3krn n ALA 108 N -2.56 1.97 -0.05 1.67 0.00 0.62 -1.68 120.51 120.48 3krn n ALA 108 Ca -0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 3krn n ALA 108 Cb 0.46 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 3krn n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3krn n ILE 109 N -1.04 0.50 -0.35 0.00 -0.00 0.47 -4.47 119.36 114.47 3krn n ILE 109 Ca 0.10 -0.15 0.01 0.00 -0.00 0.00 0.00 62.75 62.71 3krn n ILE 109 Cb 0.06 -1.36 0.15 0.00 -0.00 0.00 0.00 39.64 38.48 3krn n ILE 109 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 3krn h ASN 110 N -0.23 0.98 -0.02 4.38 4.21 -1.28 -0.89 115.58 122.74 3krn h ASN 110 Ca -0.22 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3krn h ASN 110 Cb 1.23 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3krn h ASN 110 CO -0.11 0.64 0.07 1.23 -1.29 0.00 0.00 177.43 177.97 3krn h GLY 111 N 1.12 0.00 1.74 2.83 0.00 -1.56 0.00 103.07 107.21 3krn h GLY 111 Ca 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.58 3krn h GLY 111 CO -0.16 0.00 -0.86 0.00 0.00 0.00 0.00 176.54 175.53 3krn h ALA 112 N 1.89 0.60 0.06 3.60 0.00 -1.38 -3.35 119.26 120.68 3krn h ALA 112 Ca 0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3krn h ALA 112 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3krn h ALA 112 CO -0.00 0.87 -0.03 0.00 0.00 0.00 0.00 179.25 180.09 3krn n PHE 114 N -4.79 -0.28 -0.32 0.00 3.01 -1.05 -0.13 117.46 113.90 3krn n PHE 114 Ca -0.05 0.79 0.03 0.00 1.01 0.00 0.00 57.45 59.23 3krn n PHE 114 Cb 0.20 -0.54 0.10 0.00 -0.01 0.00 0.00 39.48 39.23 3krn n PHE 114 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3krn h ALA 115 N 0.02 0.47 0.03 4.37 0.00 -1.72 0.17 119.26 122.60 3krn h ALA 115 Ca 0.10 0.32 -0.26 0.00 0.00 0.00 0.00 54.91 55.07 3krn h ALA 115 Cb 0.26 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3krn h ALA 115 CO -0.60 -0.45 -1.40 -0.07 0.00 0.00 0.00 179.25 176.73 3krn h LEU 116 N -0.01 0.08 -0.34 0.00 -0.00 -1.44 -3.18 115.31 110.43 3krn h LEU 116 Ca 0.40 -0.12 0.04 0.00 -0.00 0.00 0.00 57.88 58.20 3krn h LEU 116 Cb 0.64 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.23 3krn h LEU 116 CO -0.92 1.10 0.10 0.25 -0.00 0.00 0.00 178.44 178.98 3krn h LEU 117 N 0.01 0.09 -5.54 1.67 7.12 0.51 -1.84 115.31 117.34 3krn h LEU 117 Ca -0.17 0.04 -0.70 0.00 0.13 0.00 0.00 57.88 57.18 3krn h LEU 117 Cb 1.92 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 42.06 3krn h LEU 117 CO 0.12 0.09 3.26 -0.67 -0.13 0.00 0.00 178.44 181.11 3krn n ASP 118 N -5.04 6.81 -2.47 1.25 2.03 0.51 -4.29 116.55 115.36 3krn n ASP 118 Ca 0.01 -2.79 -0.04 0.00 0.52 0.00 0.00 54.79 52.50 3krn n ASP 118 Cb 0.13 -1.55 0.04 0.00 -0.72 0.00 0.00 41.12 39.01 3krn n ASP 118 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3krn n ASN 119 N 4.12 -1.17 0.00 1.67 4.05 -0.69 -4.56 115.26 118.68 3krn n ASN 119 Ca 0.65 -1.80 0.00 0.00 0.45 0.00 0.00 54.58 53.87 3krn n ASN 119 Cb 0.29 0.79 0.00 0.00 1.23 0.00 0.00 39.78 42.09 3krn n ASN 119 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3krn n GLY 120 N -0.59 1.46 3.71 8.20 0.00 -1.26 -4.92 105.19 111.78 3krn n GLY 120 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3krn n GLY 120 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3krn s MET 121 N 0.00 4.35 1.17 1.61 -1.94 -1.24 -5.00 119.30 118.24 3krn s MET 121 Ca 0.00 1.92 -0.17 0.00 -1.71 0.00 0.00 55.69 55.72 3krn s MET 121 Cb 0.00 -3.39 0.20 0.00 2.01 0.00 0.00 34.83 33.66 3krn s MET 121 CO 0.00 -0.42 0.39 -2.30 -0.01 0.00 0.00 175.02 172.69 3krn n PRO 122 N 4.40 -2.57 -0.21 2.03 -0.02 -1.26 -4.54 135.00 132.83 3krn n PRO 122 Ca 0.11 -0.75 0.08 0.00 -2.02 0.00 0.00 63.50 60.92 3krn n PRO 122 Cb 0.44 -1.73 0.19 0.00 -0.02 0.00 0.00 33.50 32.38 3krn n PRO 122 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3krn n PHE 123 N -4.78 0.56 0.24 6.00 7.35 -1.26 -4.40 117.46 121.17 3krn n PHE 123 Ca 0.05 -0.43 0.12 0.00 -0.76 0.00 0.00 57.45 56.42 3krn n PHE 123 Cb 0.53 -0.02 0.59 0.00 0.35 0.00 0.00 39.48 40.93 3krn n PHE 123 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 3krn h GLU 124 N 2.88 0.00 -0.66 -4.13 4.11 -1.98 -3.25 114.58 111.55 3krn h GLU 124 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3krn h GLU 124 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3krn h GLU 124 CO 0.00 0.16 0.00 0.25 0.07 0.00 0.00 179.01 179.49 3krn n THR 125 N -3.43 1.89 -1.75 -1.06 -2.24 -1.26 -4.52 114.28 101.91 3krn n THR 125 Ca -0.01 -1.20 -0.37 0.00 -2.27 0.00 0.00 64.05 60.21 3krn n THR 125 Cb 0.35 0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.75 3krn n THR 125 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3krn s VAL 126 N -1.89 2.07 0.07 2.28 -7.23 -1.23 -4.72 120.40 109.75 3krn s VAL 126 Ca 0.52 0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.72 3krn s VAL 126 Cb 0.34 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 3krn s VAL 126 CO 0.25 -0.01 0.01 0.72 -0.31 0.00 0.00 175.10 175.76 3krn s PHE 127 N -1.41 0.55 0.00 2.82 -0.12 -1.26 -4.92 117.98 113.64 3krn s PHE 127 Ca 0.82 -1.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 3krn s PHE 127 Cb -0.37 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 41.65 3krn s PHE 127 CO 0.39 -0.42 0.08 0.00 -0.05 0.00 0.00 175.22 175.21 3krn s GLY 129 N -0.50 0.93 0.65 0.00 0.00 -1.26 -4.12 107.32 103.01 3krn s GLY 129 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 3krn s GLY 129 CO 0.00 0.94 1.18 -1.34 0.00 0.00 0.00 173.10 173.88 3krn s VAL 130 N 1.65 2.69 -0.03 1.40 -7.23 -1.19 -3.89 120.40 113.80 3krn s VAL 130 Ca 0.01 0.38 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 3krn s VAL 130 Cb -0.15 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 3krn s VAL 130 CO -0.08 -0.15 -0.21 -1.48 -0.31 0.00 0.00 175.10 172.88 3krn s LEU 131 N -4.57 2.33 -0.14 1.32 0.05 -1.26 -2.91 118.68 113.51 3krn s LEU 131 Ca 0.74 -0.36 -0.01 0.00 0.05 0.00 0.00 54.13 54.55 3krn s LEU 131 Cb -0.27 -1.43 0.04 0.00 -2.05 0.00 0.00 46.19 42.47 3krn s LEU 131 CO 0.38 0.33 -0.06 -0.51 -0.55 0.00 0.00 176.35 175.94 3krn s ILE 132 N -0.63 1.04 -0.41 1.48 -1.16 -0.11 -3.66 121.20 117.75 3krn s ILE 132 Ca 0.10 -0.48 -0.17 0.00 -0.51 0.00 0.00 60.65 59.59 3krn s ILE 132 Cb -0.10 -1.17 0.02 0.00 0.61 0.00 0.00 42.46 41.82 3krn s ILE 132 CO -0.00 0.21 0.45 0.68 -2.81 0.00 0.00 174.94 173.47 3krn s VAL 133 N 1.68 5.07 -0.29 4.00 -7.23 -1.26 -1.93 120.40 120.44 3krn s VAL 133 Ca 0.02 -0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 3krn s VAL 133 Cb -0.14 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 32.77 3krn s VAL 133 CO -0.08 -0.40 1.20 -0.60 -0.31 0.00 0.00 175.10 174.91 3krn s ARG 134 N 2.20 4.03 -0.08 4.82 3.52 -1.26 -4.22 118.95 127.96 3krn s ARG 134 Ca 0.13 1.25 0.04 0.00 -0.13 0.00 0.00 55.73 57.02 3krn s ARG 134 Cb -0.17 -3.80 -0.00 0.00 -1.56 0.00 0.00 34.95 29.42 3krn s ARG 134 CO 0.14 -0.96 -0.23 0.08 -0.81 0.00 0.00 175.30 173.52 3krn s VAL 135 N 3.94 1.97 0.00 7.11 1.01 -1.25 -1.47 120.40 131.70 3krn s VAL 135 Ca 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3krn s VAL 135 Cb -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3krn s VAL 135 CO 0.18 0.54 0.00 0.29 0.00 0.00 0.00 175.10 176.12 3krn n LYS 136 N 3.37 0.00 -3.21 2.72 4.01 -1.26 -4.43 118.16 119.36 3krn n LYS 136 Ca -0.19 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.36 3krn n LYS 136 Cb 0.53 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.03 3krn n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3krn s ASP 137 N -4.00 6.30 0.59 4.39 1.11 -1.26 -4.98 116.67 118.82 3krn s ASP 137 Ca 0.00 0.58 0.00 0.00 0.18 0.00 0.00 52.55 53.31 3krn s ASP 137 Cb 0.00 -2.09 0.00 0.00 1.07 0.00 0.00 42.92 41.90 3krn s ASP 137 CO 0.00 -0.35 0.00 -0.62 1.18 0.00 0.00 175.17 175.38 3krn n GLU 138 N -1.80 0.00 -3.69 8.23 4.71 -1.26 -4.82 120.64 122.01 3krn n GLU 138 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 56.96 3krn n GLU 138 Cb 0.56 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.84 3krn n GLU 138 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3krn s LEU 139 N 0.00 0.14 0.03 -4.62 1.98 -1.26 -4.23 118.68 110.72 3krn s LEU 139 Ca 0.00 0.36 -0.15 0.00 -2.89 0.00 0.00 54.13 51.45 3krn s LEU 139 Cb 0.00 0.36 -0.06 0.00 0.66 0.00 0.00 46.19 47.15 3krn s LEU 139 CO 0.00 -0.21 0.45 -0.51 -1.89 0.00 0.00 176.35 174.18 3krn s ILE 140 N 1.95 4.97 -0.13 6.68 -1.16 -1.26 -2.44 121.20 129.81 3krn s ILE 140 Ca -0.01 0.87 -0.07 0.00 -0.51 0.00 0.00 60.65 60.94 3krn s ILE 140 Cb -0.12 -3.74 -0.04 0.00 0.61 0.00 0.00 42.46 39.17 3krn s ILE 140 CO -0.06 0.52 0.11 -0.63 -2.81 0.00 0.00 174.94 172.07 3krn s ILE 141 N -1.15 5.22 0.18 2.00 1.01 -1.26 -4.08 121.20 123.12 3krn s ILE 141 Ca 0.27 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3krn s ILE 141 Cb -0.17 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3krn s ILE 141 CO 0.15 0.58 0.00 -0.67 0.00 0.00 0.00 174.94 175.00 3krn n ASP 142 N 2.36 -2.75 -4.49 3.58 -0.08 -1.24 -4.18 116.55 109.75 3krn n ASP 142 Ca -0.19 0.41 -0.26 0.00 -1.51 0.00 0.00 54.79 53.24 3krn n ASP 142 Cb 0.54 -1.60 -0.02 0.00 2.34 0.00 0.00 41.12 42.38 3krn n ASP 142 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3krn n PRO 143 N -2.95 0.82 0.00 -0.67 -0.05 -1.26 -4.64 135.00 126.25 3krn n PRO 143 Ca -0.02 -3.19 0.00 0.00 -0.05 0.00 0.00 63.50 60.24 3krn n PRO 143 Cb 0.23 0.57 0.00 0.00 -0.05 0.00 0.00 33.50 34.24 3krn n PRO 143 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 3krn n THR 144 N -1.44 0.00 0.62 0.52 -1.04 -1.25 -4.53 114.28 107.17 3krn n THR 144 Ca -0.09 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.03 3krn n THR 144 Cb 0.57 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 69.53 3krn n THR 144 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3krn n ALA 145 N -3.00 1.96 1.58 2.41 0.00 -1.22 -2.25 120.51 119.98 3krn n ALA 145 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.42 3krn n ALA 145 Cb 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.08 3krn n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3krn n LYS 146 N -1.86 1.13 -0.01 0.00 4.76 -1.26 -3.73 118.16 117.18 3krn n LYS 146 Ca 0.04 -0.15 -0.19 0.00 -2.87 0.00 0.00 58.31 55.14 3krn n LYS 146 Cb 0.28 -1.19 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 3krn n LYS 146 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3krn n GLN 147 N -0.26 0.74 -0.23 1.97 7.27 -0.95 -4.22 117.38 121.70 3krn n GLN 147 Ca 0.01 0.26 0.05 0.00 0.07 0.00 0.00 57.00 57.39 3krn n GLN 147 Cb 0.11 -1.71 0.30 0.00 2.41 0.00 0.00 30.24 31.36 3krn n GLN 147 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 3krn h GLU 148 N 0.06 0.86 -0.54 3.69 5.08 -1.79 0.64 114.58 122.58 3krn h GLU 148 Ca -0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3krn h GLU 148 Cb 2.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.08 3krn h GLU 148 CO 0.08 0.57 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 3krn n ALA 149 N -2.43 1.91 0.30 3.43 0.00 -1.26 -4.01 120.51 118.45 3krn n ALA 149 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.73 3krn n ALA 149 Cb 0.19 -1.00 0.91 0.00 0.00 0.00 0.00 19.45 19.55 3krn n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krn h ALA 150 N 1.65 1.38 -0.40 0.00 0.00 0.09 -3.43 119.26 118.55 3krn h ALA 150 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3krn h ALA 150 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3krn h ALA 150 CO 0.00 -0.27 0.00 -1.13 0.00 0.00 0.00 179.25 177.85 3krn n SER 151 N -3.12 0.00 -2.71 0.00 3.41 -1.26 -3.78 113.62 106.17 3krn n SER 151 Ca -0.01 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 3krn n SER 151 Cb 0.32 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3krn n SER 151 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3krn s THR 152 N 0.00 -0.11 0.00 6.66 -1.32 -1.13 -4.90 115.64 114.85 3krn s THR 152 Ca 0.00 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3krn s THR 152 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 3krn s THR 152 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3krn n GLY 153 N 3.55 2.25 1.38 6.08 0.00 -0.54 -4.73 105.19 113.18 3krn n GLY 153 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3krn n GLY 153 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3krn n ARG 154 N 2.26 0.00 -3.45 1.61 0.00 -1.23 -4.10 116.66 111.74 3krn n ARG 154 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3krn n ARG 154 Cb 0.00 -2.32 -0.10 0.00 0.00 0.00 0.00 32.46 30.05 3krn n ARG 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3krn s VAL 155 N -2.84 5.22 -0.68 5.15 0.11 -0.81 -3.31 120.40 123.24 3krn s VAL 155 Ca 0.00 -0.75 0.05 0.00 -2.93 0.00 0.00 61.98 58.35 3krn s VAL 155 Cb 0.00 -3.95 0.20 0.00 -1.53 0.00 0.00 36.38 31.10 3krn s VAL 155 CO 0.00 -0.36 0.59 0.18 -3.33 0.00 0.00 175.10 172.18 3krn n LEU 156 N 5.16 3.27 -4.67 2.54 7.99 -0.86 -0.93 117.00 129.50 3krn n LEU 156 Ca -0.11 -5.29 -0.49 0.00 -0.01 0.00 0.00 56.01 50.11 3krn n LEU 156 Cb 0.46 -0.71 -0.05 0.00 -0.11 0.00 0.00 43.42 43.02 3krn n LEU 156 CO 0.42 1.87 1.28 0.49 -1.51 0.00 0.00 177.39 179.94 3krn n PHE 157 N 1.55 2.18 0.54 -1.77 3.01 -1.14 -4.08 117.46 117.74 3krn n PHE 157 Ca 0.24 0.24 -0.04 0.00 1.01 0.00 0.00 57.45 58.90 3krn n PHE 157 Cb 0.37 -2.55 0.03 0.00 -0.01 0.00 0.00 39.48 37.32 3krn n PHE 157 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3krn n SER 158 N 4.64 3.34 -4.44 4.37 7.64 0.94 -3.17 113.62 126.95 3krn n SER 158 Ca 0.20 -2.29 -0.37 0.00 1.01 0.00 0.00 58.87 57.43 3krn n SER 158 Cb 0.26 -0.60 0.05 0.00 -1.01 0.00 0.00 64.21 62.92 3krn n SER 158 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3krn n VAL 159 N 0.32 1.74 -0.34 0.44 0.24 -1.24 -4.43 118.33 115.07 3krn n VAL 159 Ca 0.09 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3krn n VAL 159 Cb 0.67 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 3krn n VAL 159 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3krn n ASP 164 N 0.26 0.00 -3.15 -1.34 4.64 -1.26 -2.59 116.55 113.10 3krn n ASP 164 Ca 0.10 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.19 3krn n ASP 164 Cb 0.49 -0.44 -0.04 0.00 -1.04 0.00 0.00 41.12 40.09 3krn n ASP 164 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3krn n GLY 165 N 0.00 3.83 1.08 0.27 0.00 -1.26 -3.95 105.19 105.16 3krn n GLY 165 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3krn n GLY 165 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krn n HIS 166 N 3.62 -0.08 0.06 1.61 8.25 -1.26 -4.98 115.22 122.43 3krn n HIS 166 Ca 0.67 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 3krn n HIS 166 Cb 0.27 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3krn n HIS 166 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3krn n PRO 167 N -3.40 0.00 0.00 -0.41 -0.05 -1.25 -4.89 135.00 124.99 3krn n PRO 167 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3krn n PRO 167 Cb 0.09 -0.30 0.00 0.00 -0.05 0.00 0.00 33.50 33.24 3krn n PRO 167 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3krn n GLU 168 N -3.30 -0.42 -2.54 0.54 1.02 -1.26 -4.82 120.64 109.86 3krn n GLU 168 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3krn n GLU 168 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3krn n GLU 168 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3krn s VAL 169 N -0.97 4.76 0.00 2.62 1.01 -1.26 -4.88 120.40 121.67 3krn s VAL 169 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3krn s VAL 169 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3krn s VAL 169 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 175.10 174.35 3krn s ALA 171 N -1.87 -1.10 0.08 0.00 0.00 -1.26 -4.99 121.76 112.61 3krn s ALA 171 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 3krn s ALA 171 Cb 0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3krn s ALA 171 CO 0.00 -1.02 0.24 0.00 0.00 0.00 0.00 175.76 174.98 3krn n MET 172 N -0.49 0.24 -3.64 0.00 3.85 -1.26 -0.04 117.12 115.78 3krn n MET 172 Ca -0.05 -0.50 -0.07 0.00 -1.00 0.00 0.00 57.70 56.08 3krn n MET 172 Cb 0.59 0.64 -0.07 0.00 -1.05 0.00 0.00 33.22 33.33 3krn n MET 172 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3krn s ASP 173 N -1.59 -0.54 -0.03 3.17 -1.08 -1.26 -4.83 116.67 110.50 3krn s ASP 173 Ca 0.05 0.95 0.06 0.00 -0.52 0.00 0.00 52.55 53.09 3krn s ASP 173 Cb -0.01 1.09 -0.01 0.00 -1.46 0.00 0.00 42.92 42.53 3krn s ASP 173 CO 0.02 -0.16 -0.21 0.00 0.52 0.00 0.00 175.17 175.35 3krn s ALA 174 N 0.79 1.77 -0.15 3.66 0.00 -1.26 -2.02 121.76 124.55 3krn s ALA 174 Ca -0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3krn s ALA 174 Cb -0.04 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.61 3krn s ALA 174 CO -0.10 0.37 0.07 0.42 0.00 0.00 0.00 175.76 176.52 3krn s ILE 175 N -0.24 0.07 0.00 0.00 -1.09 -1.21 -5.02 121.20 113.72 3krn s ILE 175 Ca 0.01 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 3krn s ILE 175 Cb -0.11 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.17 3krn s ILE 175 CO 0.01 -0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.18 3krn n GLY 176 N 5.22 4.07 2.41 6.18 0.00 -1.26 -4.42 105.19 117.40 3krn n GLY 176 Ca -0.07 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3krn n GLY 176 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3krn n HIS 177 N -1.65 2.56 -4.22 1.61 1.44 -1.26 -4.91 115.22 108.79 3krn n HIS 177 Ca 0.00 -3.00 -0.13 0.00 -2.01 0.00 0.00 57.72 52.58 3krn n HIS 177 Cb 0.00 -2.46 -0.10 0.00 0.12 0.00 0.00 29.99 27.55 3krn n HIS 177 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3krn s TRP 178 N 2.46 1.13 0.59 -1.40 0.52 -1.26 -5.09 118.94 115.89 3krn s TRP 178 Ca 0.64 -0.79 -0.10 0.00 0.02 0.00 0.00 56.10 55.87 3krn s TRP 178 Cb 0.17 -0.60 0.14 0.00 -1.15 0.00 0.00 33.47 32.03 3krn s TRP 178 CO -0.06 0.01 0.76 -0.40 0.02 0.00 0.00 176.95 177.28 3krn n ASP 179 N -0.08 -0.11 -0.00 2.95 3.85 -1.26 -5.01 116.55 116.88 3krn n ASP 179 Ca -0.11 -1.24 -0.07 0.00 -0.71 0.00 0.00 54.79 52.65 3krn n ASP 179 Cb 0.60 -0.59 -0.13 0.00 -1.35 0.00 0.00 41.12 39.65 3krn n ASP 179 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 3krn h PHE 180 N -1.53 0.00 -0.55 2.11 -1.00 -2.01 -3.34 116.94 110.62 3krn h PHE 180 Ca -0.25 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.69 3krn h PHE 180 Cb 0.70 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 3krn h PHE 180 CO 0.00 0.95 0.64 -0.84 -1.61 0.00 0.00 178.31 177.45 3krn h ILE 181 N 0.00 0.25 0.00 -0.55 3.07 -2.03 -1.66 117.51 116.60 3krn h ILE 181 Ca -0.23 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.07 3krn h ILE 181 Cb 1.92 0.48 -0.02 0.00 -0.27 0.00 0.00 36.82 38.94 3krn h ILE 181 CO 0.08 0.00 -0.59 1.56 -1.05 0.00 0.00 178.15 178.15 3krn h GLN 182 N 0.00 0.00 -1.10 0.16 1.08 -1.97 -3.37 115.11 109.91 3krn h GLN 182 Ca 0.26 0.00 0.31 0.00 -1.45 0.00 0.00 58.65 57.77 3krn h GLN 182 Cb 1.54 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.91 3krn h GLN 182 CO -0.00 0.98 0.77 1.25 -0.95 0.00 0.00 178.83 180.87 3krn h LEU 183 N -1.00 0.12 -0.76 1.46 6.46 -1.46 0.32 115.31 120.44 3krn h LEU 183 Ca -0.16 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.54 3krn h LEU 183 Cb 1.12 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 3krn h LEU 183 CO -0.10 0.02 0.05 -0.08 -0.62 0.00 0.00 178.44 177.71 3krn h GLU 184 N 0.10 0.99 0.00 1.25 4.57 -1.70 -1.41 114.58 118.39 3krn h GLU 184 Ca 0.55 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3krn h GLU 184 Cb 1.97 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.45 3krn h GLU 184 CO -0.08 0.95 0.00 0.00 -1.18 0.00 0.00 179.01 178.69 3krn n ALA 185 N -2.47 1.09 0.68 2.92 0.00 0.11 -0.44 120.51 122.39 3krn n ALA 185 Ca 0.04 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.75 3krn n ALA 185 Cb 0.31 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 3krn n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krn n ALA 186 N -1.76 4.09 -0.05 0.00 0.00 -0.57 -4.02 120.51 118.19 3krn n ALA 186 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 3krn n ALA 186 Cb 0.05 -0.72 0.23 0.00 0.00 0.00 0.00 19.45 19.01 3krn n ALA 186 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3krn h TRP 187 N 0.00 0.68 -1.14 0.00 7.01 -0.28 -3.34 115.95 118.88 3krn h TRP 187 Ca 0.00 -0.08 -0.46 0.00 2.11 0.00 0.00 58.89 60.46 3krn h TRP 187 Cb 0.60 -0.19 0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3krn h TRP 187 CO 0.00 0.64 -0.21 0.45 -2.79 0.00 0.00 178.44 176.53 3krn s SER 188 N -6.69 5.32 0.00 2.65 0.15 -1.19 -4.43 113.70 109.50 3krn s SER 188 Ca -0.08 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.89 3krn s SER 188 Cb 0.15 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3krn s SER 188 CO 0.79 -1.00 0.00 0.00 1.20 0.00 0.00 173.24 174.23 3krn n LEU 189 N -1.97 0.00 0.05 3.45 -0.00 -1.26 -4.48 117.00 112.79 3krn n LEU 189 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.06 3krn n LEU 189 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.00 3krn n LEU 189 CO 0.40 0.00 0.13 0.00 -0.00 0.00 0.00 177.39 177.92 3krn h ALA 190 N 0.00 -0.23 0.00 1.47 0.00 -1.81 -3.18 119.26 115.51 3krn h ALA 190 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3krn h ALA 190 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3krn h ALA 190 CO 0.00 -0.22 -0.13 -0.56 0.00 0.00 0.00 179.25 178.34 3krn h GLN 191 N -1.05 0.00 0.04 0.00 3.07 -1.78 -0.74 115.11 114.65 3krn h GLN 191 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 3krn h GLN 191 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 3krn h GLN 191 CO 0.04 0.13 -0.02 -1.35 0.09 0.00 0.00 178.83 177.72 3krn h PRO 192 N 0.00 -0.05 -0.72 0.06 0.11 -1.91 0.48 132.00 129.97 3krn h PRO 192 Ca -0.00 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.23 3krn h PRO 192 Cb 0.40 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 3krn h PRO 192 CO 0.02 0.04 0.48 0.77 -0.21 0.00 0.00 178.00 179.09 3krn h SER 193 N -0.13 0.48 -0.83 -2.05 0.02 -1.42 0.86 113.55 110.49 3krn h SER 193 Ca -0.01 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3krn h SER 193 Cb 0.11 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3krn h SER 193 CO 0.01 0.28 0.46 0.00 -1.14 0.00 0.00 176.83 176.43 3krn h ALA 194 N 1.65 1.07 -0.51 3.77 0.00 -0.17 -2.37 119.26 122.69 3krn h ALA 194 Ca 0.34 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3krn h ALA 194 Cb 0.61 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3krn h ALA 194 CO -0.12 0.57 0.30 0.77 0.00 0.00 0.00 179.25 180.77 3krn h SER 195 N 1.16 0.47 -0.77 0.00 0.02 0.24 -2.77 113.55 111.90 3krn h SER 195 Ca 0.29 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.38 3krn h SER 195 Cb 0.03 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.39 3krn h SER 195 CO -0.05 0.33 0.35 0.00 -1.14 0.00 0.00 176.83 176.32 3krn h ALA 196 N 1.23 1.10 -0.08 3.77 0.00 -0.83 -2.27 119.26 122.18 3krn h ALA 196 Ca 0.21 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3krn h ALA 196 Cb 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3krn h ALA 196 CO -0.10 -0.14 -0.60 0.97 0.00 0.00 0.00 179.25 179.38 3krn h ILE 197 N 0.53 1.38 0.00 0.00 2.10 -1.27 -2.19 117.51 118.06 3krn h ILE 197 Ca 0.41 -1.96 -0.00 0.00 1.08 0.00 0.00 64.86 64.38 3krn h ILE 197 Cb 0.57 1.98 -0.00 0.00 -1.09 0.00 0.00 36.82 38.28 3krn h ILE 197 CO -0.36 0.58 -0.01 -0.26 -1.08 0.00 0.00 178.15 177.02 3krn h PHE 198 N 0.19 0.00 -0.01 2.19 0.05 -1.17 0.49 116.94 118.68 3krn h PHE 198 Ca -0.01 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.72 3krn h PHE 198 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.06 3krn h PHE 198 CO 0.02 0.01 -0.26 -0.44 -0.18 0.00 0.00 178.31 177.47 3krn h ASP 199 N 0.00 0.24 0.01 2.17 3.45 -1.10 -2.04 116.42 119.15 3krn h ASP 199 Ca -0.00 -0.75 0.03 0.00 0.43 0.00 0.00 57.03 56.73 3krn h ASP 199 Cb 0.03 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.67 3krn h ASP 199 CO 0.00 0.96 -0.44 0.15 -1.57 0.00 0.00 179.24 178.35 3krn h PHE 200 N -0.46 -1.24 0.00 4.55 3.04 -0.90 -0.11 116.94 121.83 3krn h PHE 200 Ca -0.03 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3krn h PHE 200 Cb 0.99 0.54 0.00 0.00 2.56 0.00 0.00 35.95 40.05 3krn h PHE 200 CO 0.17 -0.51 0.00 0.66 -2.02 0.00 0.00 178.31 176.61 3krn n TYR 201 N -5.46 0.00 -0.28 0.41 0.53 0.17 0.15 117.16 112.68 3krn n TYR 201 Ca -0.06 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.91 3krn n TYR 201 Cb 0.38 -0.17 0.24 0.00 -1.03 0.00 0.00 39.34 38.76 3krn n TYR 201 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 3krn h LYS 202 N 0.00 0.32 0.05 -0.72 1.57 -0.79 0.38 116.57 117.38 3krn h LYS 202 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3krn h LYS 202 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3krn h LYS 202 CO 0.00 0.21 -0.02 1.15 -0.57 0.00 0.00 179.45 180.22 3krn h THR 203 N 0.33 1.29 -0.20 -0.16 2.02 0.33 0.77 112.91 117.30 3krn h THR 203 Ca 0.49 -1.24 0.05 0.00 0.77 0.00 0.00 66.41 66.48 3krn h THR 203 Cb 0.88 2.09 -0.07 0.00 -1.74 0.00 0.00 68.15 69.30 3krn h THR 203 CO -0.52 0.30 -0.37 0.58 0.37 0.00 0.00 175.52 175.88 3krn h VAL 204 N -0.63 0.21 0.00 3.16 2.07 0.52 0.50 116.25 122.08 3krn h VAL 204 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3krn h VAL 204 Cb 0.55 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3krn h VAL 204 CO 0.01 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.40 3krn n MET 205 N -5.42 0.88 0.00 1.57 0.00 0.13 -2.28 117.12 112.00 3krn n MET 205 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.70 3krn n MET 205 Cb 0.34 -1.12 -0.01 0.00 0.00 0.00 0.00 33.22 32.44 3krn n MET 205 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3krn n LYS 206 N 0.48 2.85 -0.05 2.12 3.00 0.27 -4.56 118.16 122.27 3krn n LYS 206 Ca 0.00 -0.38 -0.06 0.00 -0.00 0.00 0.00 58.31 57.86 3krn n LYS 206 Cb 0.40 -0.93 -0.05 0.00 0.00 0.00 0.00 35.03 34.46 3krn n LYS 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3krn n ARG 207 N -0.49 0.69 -0.09 1.64 1.74 -0.97 -4.39 116.66 114.80 3krn n ARG 207 Ca 0.02 0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 3krn n ARG 207 Cb 0.12 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 3krn n ARG 207 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3krn h LYS 208 N 0.00 0.58 -0.26 5.56 1.79 -1.81 -2.79 116.57 119.64 3krn h LYS 208 Ca -0.21 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 3krn h LYS 208 Cb 1.35 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 3krn h LYS 208 CO -0.02 0.83 0.08 -0.07 -1.08 0.00 0.00 179.45 179.19 3krn h LEU 209 N 0.31 0.33 -7.16 2.94 4.07 -1.84 -3.36 115.31 110.59 3krn h LEU 209 Ca 0.06 -0.03 -0.60 0.00 0.08 0.00 0.00 57.88 57.38 3krn h LEU 209 Cb 0.66 -0.08 -0.40 0.00 1.08 0.00 0.00 40.66 41.92 3krn h LEU 209 CO 0.04 0.32 -0.74 -0.94 -1.08 0.00 0.00 178.44 176.04 3krn s SER 210 N -6.81 3.98 0.00 -0.43 1.04 -1.07 -5.15 113.70 105.27 3krn s SER 210 Ca -0.07 -2.11 0.00 0.00 0.48 0.00 0.00 55.95 54.26 3krn s SER 210 Cb 0.17 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.25 3krn s SER 210 CO 0.72 -0.35 0.26 0.52 0.98 0.00 0.00 173.24 175.38