#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kee s THR 4 N 0.00 2.19 -0.04 1.39 -4.23 -1.26 -4.91 115.64 108.78 3kee s THR 4 Ca 0.00 -2.17 -0.09 0.00 -1.18 0.00 0.00 61.69 58.25 3kee s THR 4 Cb 0.00 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.15 3kee s THR 4 CO 0.00 -0.17 0.22 0.00 -0.54 0.00 0.00 174.62 174.13 3kee s ALA 5 N -2.63 -0.55 0.01 3.99 0.00 -1.26 -5.10 121.76 116.22 3kee s ALA 5 Ca 0.33 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3kee s ALA 5 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3kee s ALA 5 CO 0.17 -0.17 -0.06 1.52 0.00 0.00 0.00 175.76 177.21 3kee s TYR 6 N -0.66 0.56 0.10 0.00 -0.85 -1.26 -4.91 117.35 110.33 3kee s TYR 6 Ca -0.08 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 56.28 3kee s TYR 6 Cb -0.04 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 3kee s TYR 6 CO 0.02 -0.03 0.12 -1.54 -1.52 0.00 0.00 175.55 172.59 3kee s SER 7 N -0.60 5.66 -0.02 -0.18 1.04 -1.26 -5.00 113.70 113.34 3kee s SER 7 Ca -0.02 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3kee s SER 7 Cb -0.05 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.53 3kee s SER 7 CO 0.00 0.14 -0.05 -1.10 0.98 0.00 0.00 173.24 173.22 3kee s GLN 8 N -2.61 0.54 -0.07 4.02 -0.21 -1.26 -5.12 119.66 114.95 3kee s GLN 8 Ca 0.31 -0.14 -0.22 0.00 0.02 0.00 0.00 55.36 55.33 3kee s GLN 8 Cb -0.12 -0.55 -0.04 0.00 1.00 0.00 0.00 33.01 33.30 3kee s GLN 8 CO 0.23 0.04 0.62 -1.14 -2.12 0.00 0.00 175.29 172.93 3kee s GLN 9 N 0.28 4.40 -0.01 2.91 0.74 -1.26 -4.96 119.66 121.75 3kee s GLN 9 Ca -0.03 0.74 0.09 0.00 0.05 0.00 0.00 55.36 56.21 3kee s GLN 9 Cb -0.07 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.49 3kee s GLN 9 CO -0.00 0.12 0.26 0.25 -0.55 0.00 0.00 175.29 175.37 3kee n THR 10 N 3.63 0.00 -3.69 -0.34 -2.24 -1.26 -5.02 114.28 105.37 3kee n THR 10 Ca -0.04 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3kee n THR 10 Cb 0.51 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.22 3kee n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kee s ARG 11 N -2.32 0.73 0.00 -0.78 1.70 -1.26 -5.12 118.95 111.90 3kee s ARG 11 Ca -0.01 0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 3kee s ARG 11 Cb 0.06 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3kee s ARG 11 CO 0.36 -0.19 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 3kee n GLY 12 N 1.62 1.17 0.15 3.88 0.00 -1.26 -4.85 105.19 105.90 3kee n GLY 12 Ca -0.19 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 3kee n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kee h LEU 13 N 0.00 -0.32 -0.14 0.99 5.85 -2.02 -2.13 115.31 117.53 3kee h LEU 13 Ca 0.00 0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 3kee h LEU 13 Cb 0.00 0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.22 3kee h LEU 13 CO 0.00 -0.13 -0.73 0.25 -0.34 0.00 0.00 178.44 177.49 3kee h LEU 14 N -0.09 0.89 -0.79 2.25 5.85 -2.00 -2.96 115.31 118.46 3kee h LEU 14 Ca 0.10 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.19 3kee h LEU 14 Cb 0.24 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3kee h LEU 14 CO -0.23 1.38 0.51 1.23 -0.34 0.00 0.00 178.44 180.99 3kee h GLY 15 N 0.46 1.11 0.37 3.75 0.00 -1.95 -1.51 103.07 105.30 3kee h GLY 15 Ca -0.05 -0.42 0.10 0.00 0.00 0.00 0.00 47.33 46.96 3kee h GLY 15 CO 0.15 0.42 0.30 0.00 0.00 0.00 0.00 176.54 177.41 3kee h ILE 17 N 0.51 1.50 -0.26 0.00 2.04 -1.29 -0.69 117.51 119.32 3kee h ILE 17 Ca 0.35 -1.86 0.06 0.00 1.00 0.00 0.00 64.86 64.42 3kee h ILE 17 Cb 0.43 2.61 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 3kee h ILE 17 CO -0.31 0.52 -0.19 0.40 0.00 0.00 0.00 178.15 178.57 3kee h ILE 18 N -0.38 0.49 0.00 -0.67 5.03 -1.25 -1.85 117.51 118.87 3kee h ILE 18 Ca -0.03 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.70 3kee h ILE 18 Cb 0.99 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 35.26 3kee h ILE 18 CO 0.06 0.00 -0.07 0.74 -0.68 0.00 0.00 178.15 178.19 3kee h THR 19 N -0.17 1.03 -0.74 -0.27 2.02 -1.12 0.61 112.91 114.26 3kee h THR 19 Ca 0.14 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kee h THR 19 Cb 0.39 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3kee h THR 19 CO -0.36 0.07 0.47 -1.28 0.37 0.00 0.00 175.52 174.78 3kee h SER 20 N 0.00 0.87 0.12 4.18 0.87 -0.33 -1.82 113.55 117.43 3kee h SER 20 Ca -0.00 -0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.30 3kee h SER 20 Cb 0.13 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3kee h SER 20 CO 0.01 0.65 -1.07 -0.07 -0.53 0.00 0.00 176.83 175.82 3kee h LEU 21 N 1.01 0.38 0.07 2.23 4.07 -0.25 -3.34 115.31 119.48 3kee h LEU 21 Ca 0.27 -0.89 -0.26 0.00 0.08 0.00 0.00 57.88 57.08 3kee h LEU 21 Cb -0.07 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3kee h LEU 21 CO -0.05 1.48 -1.24 0.71 -1.08 0.00 0.00 178.44 178.26 3kee h THR 22 N -0.40 1.48 0.00 0.22 1.35 -1.40 -3.48 112.91 110.67 3kee h THR 22 Ca -0.22 -3.12 0.00 0.00 -0.55 0.00 0.00 66.41 62.52 3kee h THR 22 Cb 1.65 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.92 3kee h THR 22 CO 0.08 0.89 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 3kee n GLY 23 N 1.49 0.40 3.39 5.82 0.00 -0.68 -4.60 105.19 111.01 3kee n GLY 23 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3kee n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kee s ARG 24 N -0.50 3.38 -0.36 1.61 3.52 -1.26 -1.67 118.95 123.68 3kee s ARG 24 Ca 0.00 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 3kee s ARG 24 Cb 0.00 -3.31 0.11 0.00 -1.56 0.00 0.00 34.95 30.19 3kee s ARG 24 CO 0.00 -0.30 0.13 0.34 -0.81 0.00 0.00 175.30 174.66 3kee s ASP 25 N 1.55 4.07 0.49 -2.12 2.15 0.12 -4.82 116.67 118.11 3kee s ASP 25 Ca 0.05 -2.03 0.28 0.00 0.43 0.00 0.00 52.55 51.28 3kee s ASP 25 Cb -0.16 -1.07 0.91 0.00 -0.30 0.00 0.00 42.92 42.31 3kee s ASP 25 CO 0.02 -0.36 1.82 0.11 -0.17 0.00 0.00 175.17 176.59 3kee h LYS 26 N 7.60 0.00 -6.37 4.34 1.79 -1.83 -2.68 116.57 119.43 3kee h LYS 26 Ca -0.08 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.79 3kee h LYS 26 Cb 0.99 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 31.80 3kee h LYS 26 CO 0.49 0.03 -0.46 0.09 -1.08 0.00 0.00 179.45 178.52 3kee n ASN 27 N -3.12 -1.15 -4.68 0.86 5.03 -1.26 -4.89 115.26 106.05 3kee n ASN 27 Ca 0.02 0.83 -0.43 0.00 0.87 0.00 0.00 54.58 55.87 3kee n ASN 27 Cb 0.41 -1.11 -0.02 0.00 -1.02 0.00 0.00 39.78 38.03 3kee n ASN 27 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3kee s GLN 28 N -1.71 4.33 0.27 3.52 0.74 -1.26 -4.94 119.66 120.61 3kee s GLN 28 Ca 0.65 1.60 -0.22 0.00 0.05 0.00 0.00 55.36 57.43 3kee s GLN 28 Cb -0.54 -3.61 -0.09 0.00 1.10 0.00 0.00 33.01 29.88 3kee s GLN 28 CO 0.58 -0.50 0.82 0.08 -0.55 0.00 0.00 175.29 175.72 3kee s VAL 29 N 2.54 4.43 0.08 1.34 1.01 -1.26 -5.08 120.40 123.46 3kee s VAL 29 Ca 0.53 1.48 -0.26 0.00 0.00 0.00 0.00 61.98 63.73 3kee s VAL 29 Cb -0.22 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.34 3kee s VAL 29 CO 0.18 0.14 0.67 -1.61 0.00 0.00 0.00 175.10 174.48 3kee s GLU 30 N -2.11 1.15 0.00 2.72 2.02 -1.26 -4.28 118.70 116.94 3kee s GLU 30 Ca 0.47 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.21 3kee s GLU 30 Cb -0.17 0.53 0.00 0.00 0.10 0.00 0.00 34.13 34.59 3kee s GLU 30 CO 0.21 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.44 3kee n GLY 31 N -0.01 -0.34 0.14 -1.39 0.00 -1.26 -4.79 105.19 97.53 3kee n GLY 31 Ca -0.16 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 3kee n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kee h GLU 32 N 0.00 0.30 -4.96 1.61 3.07 -1.93 -1.76 114.58 110.91 3kee h GLU 32 Ca 0.00 -0.52 -0.66 0.00 -0.50 0.00 0.00 59.36 57.69 3kee h GLU 32 Cb 0.00 0.19 -0.26 0.00 -0.84 0.00 0.00 28.75 27.84 3kee h GLU 32 CO 0.00 1.22 -0.69 0.08 -1.40 0.00 0.00 179.01 178.22 3kee s VAL 33 N -2.57 3.68 -0.00 3.13 1.01 -1.26 -1.56 120.40 122.82 3kee s VAL 33 Ca -0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3kee s VAL 33 Cb 0.06 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 3kee s VAL 33 CO 0.81 0.35 0.41 -1.10 0.00 0.00 0.00 175.10 175.57 3kee s GLN 34 N 1.51 3.94 -0.11 2.72 -1.52 -0.42 -4.97 119.66 120.82 3kee s GLN 34 Ca 0.05 0.42 -0.22 0.00 -1.95 0.00 0.00 55.36 53.66 3kee s GLN 34 Cb -0.15 -3.23 -0.03 0.00 -0.22 0.00 0.00 33.01 29.38 3kee s GLN 34 CO -0.01 0.67 0.66 0.08 -0.25 0.00 0.00 175.29 176.44 3kee s VAL 35 N -1.01 5.05 0.10 1.09 1.01 -1.26 -1.56 120.40 123.83 3kee s VAL 35 Ca 0.24 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.61 3kee s VAL 35 Cb -0.17 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3kee s VAL 35 CO 0.13 0.22 -0.20 0.68 0.00 0.00 0.00 175.10 175.93 3kee s VAL 36 N 1.10 1.65 -0.01 2.92 -7.23 -0.54 -4.98 120.40 113.32 3kee s VAL 36 Ca 0.34 -1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 58.93 3kee s VAL 36 Cb -0.17 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 3kee s VAL 36 CO 0.15 -0.10 0.07 -0.44 -0.31 0.00 0.00 175.10 174.47 3kee s SER 37 N -1.94 0.02 0.03 4.85 0.01 -1.26 -1.57 113.70 113.82 3kee s SER 37 Ca 0.06 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.25 3kee s SER 37 Cb -0.10 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3kee s SER 37 CO 0.04 -0.17 0.00 0.35 0.41 0.00 0.00 173.24 173.88 3kee n THR 38 N 2.35 0.00 0.12 1.44 -2.24 -0.44 -4.98 114.28 110.53 3kee n THR 38 Ca -0.17 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 3kee n THR 38 Cb 0.58 -1.02 0.20 0.00 -2.10 0.00 0.00 70.33 67.99 3kee n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kee h ALA 39 N 0.44 1.05 0.00 6.98 0.00 -1.99 -3.35 119.26 122.39 3kee h ALA 39 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3kee h ALA 39 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kee h ALA 39 CO 0.00 0.65 -1.62 0.25 0.00 0.00 0.00 179.25 178.53 3kee n THR 40 N -3.94 0.01 -3.72 0.00 -2.24 -1.26 -5.04 114.28 98.09 3kee n THR 40 Ca -0.02 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 3kee n THR 40 Cb 0.54 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 3kee n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kee s GLN 41 N -2.94 0.76 0.04 -0.78 -2.07 -1.26 -5.16 119.66 108.26 3kee s GLN 41 Ca -0.05 -0.19 0.08 0.00 -1.82 0.00 0.00 55.36 53.38 3kee s GLN 41 Cb 0.09 0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 3kee s GLN 41 CO 0.56 -0.23 -0.22 0.45 -1.32 0.00 0.00 175.29 174.54 3kee s SER 42 N -1.47 3.48 0.00 12.60 0.15 -1.26 -1.32 113.70 125.87 3kee s SER 42 Ca -0.11 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3kee s SER 42 Cb -0.04 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3kee s SER 42 CO 0.03 0.26 0.00 2.22 1.20 0.00 0.00 173.24 176.95 3kee n PHE 43 N 1.70 0.00 -4.45 3.44 -1.74 -0.61 -4.54 117.46 111.25 3kee n PHE 43 Ca -0.17 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.49 3kee n PHE 43 Cb 0.52 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 3kee n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3kee s LEU 44 N 0.00 2.58 -0.05 5.98 1.43 -0.48 -1.46 118.68 126.68 3kee s LEU 44 Ca 0.00 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3kee s LEU 44 Cb 0.00 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.19 3kee s LEU 44 CO 0.00 0.02 0.12 0.00 0.23 0.00 0.00 176.35 176.71 3kee s ALA 45 N -2.54 -0.26 -0.12 4.21 0.00 -0.60 -4.15 121.76 118.30 3kee s ALA 45 Ca 0.29 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3kee s ALA 45 Cb -0.05 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3kee s ALA 45 CO 0.14 -0.08 -0.18 0.99 0.00 0.00 0.00 175.76 176.63 3kee s THR 46 N 0.38 1.72 -0.31 0.00 2.01 0.68 -1.30 115.64 118.82 3kee s THR 46 Ca -0.03 -0.77 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 3kee s THR 46 Cb -0.04 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.94 3kee s THR 46 CO -0.02 0.48 1.02 0.00 -0.69 0.00 0.00 174.62 175.42 3kee s VAL 48 N 3.50 0.59 -1.48 0.00 1.01 0.28 0.41 120.40 124.71 3kee s VAL 48 Ca 0.43 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 3kee s VAL 48 Cb -0.13 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.64 3kee s VAL 48 CO 0.14 0.28 1.05 0.59 0.00 0.00 0.00 175.10 177.16 3kee n ASN 49 N 4.77 -5.27 0.00 3.32 3.02 -1.07 -2.02 115.26 118.00 3kee n ASN 49 Ca -0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3kee n ASN 49 Cb 0.50 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 3kee n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kee n GLY 50 N -1.79 1.79 3.59 7.41 0.00 -1.26 -5.00 105.19 109.93 3kee n GLY 50 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3kee n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kee s VAL 51 N -2.38 4.16 -0.49 1.61 1.01 -0.86 -0.64 120.40 122.81 3kee s VAL 51 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3kee s VAL 51 Cb 0.00 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kee s VAL 51 CO 0.00 0.54 0.84 0.00 0.00 0.00 0.00 175.10 176.48 3kee s TRP 53 N 3.52 3.33 0.18 0.00 0.52 0.49 -1.68 118.94 125.31 3kee s TRP 53 Ca 0.29 0.30 -0.01 0.00 0.02 0.00 0.00 56.10 56.70 3kee s TRP 53 Cb -0.13 -1.88 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 3kee s TRP 53 CO 0.21 0.53 0.25 -2.37 0.02 0.00 0.00 176.95 175.59 3kee n THR 54 N 2.25 0.00 -3.54 2.01 5.66 -0.65 -0.23 114.28 119.77 3kee n THR 54 Ca -0.19 -0.91 -0.37 0.00 -3.05 0.00 0.00 64.05 59.54 3kee n THR 54 Cb 0.54 0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 3kee n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3kee s VAL 55 N -2.63 5.29 0.43 1.08 -7.23 -1.26 -0.96 120.40 115.12 3kee s VAL 55 Ca 0.15 0.57 0.13 0.00 -1.81 0.00 0.00 61.98 61.01 3kee s VAL 55 Cb -0.00 -3.63 0.32 0.00 0.56 0.00 0.00 36.38 33.62 3kee s VAL 55 CO 0.11 0.41 1.98 0.22 -0.31 0.00 0.00 175.10 177.51 3kee h TYR 56 N 6.44 0.47 0.00 2.82 3.20 -1.55 -1.11 116.97 127.24 3kee h TYR 56 Ca -0.43 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.46 3kee h TYR 56 Cb 1.17 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3kee h TYR 56 CO 0.62 0.23 0.00 -2.39 -1.64 0.00 0.00 178.16 174.98 3kee n HIS 57 N -4.47 0.68 -0.11 -3.82 1.44 -1.26 0.13 115.22 107.80 3kee n HIS 57 Ca 0.09 0.30 -0.24 0.00 -2.01 0.00 0.00 57.72 55.86 3kee n HIS 57 Cb 0.33 -0.98 -0.11 0.00 0.12 0.00 0.00 29.99 29.35 3kee n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kee n GLY 58 N -0.48 -0.53 0.05 -1.39 0.00 -0.50 -4.78 105.19 97.55 3kee n GLY 58 Ca 0.01 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3kee n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kee n ALA 59 N -3.67 3.10 -0.42 4.61 0.00 -0.69 -4.92 120.51 118.52 3kee n ALA 59 Ca -0.45 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3kee n ALA 59 Cb 0.89 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3kee n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kee n GLY 60 N 1.31 2.37 0.72 0.00 0.00 0.34 -2.06 105.19 107.88 3kee n GLY 60 Ca 0.01 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3kee n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kee n SER 61 N 0.58 2.24 -4.53 1.61 2.88 -1.26 -4.83 113.62 110.30 3kee n SER 61 Ca 0.00 -1.75 -0.32 0.00 -1.33 0.00 0.00 58.87 55.47 3kee n SER 61 Cb 0.00 -0.03 0.14 0.00 -0.75 0.00 0.00 64.21 63.57 3kee n SER 61 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kee n LYS 62 N 0.74 -0.27 -2.15 -1.46 5.02 -0.87 -4.79 118.16 114.37 3kee n LYS 62 Ca 0.17 -0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 3kee n LYS 62 Cb 0.47 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 3kee n LYS 62 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kee s THR 63 N -2.43 4.76 -0.18 -0.18 -4.23 -1.26 -4.53 115.64 107.60 3kee s THR 63 Ca 0.62 0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 61.72 3kee s THR 63 Cb -0.23 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.70 3kee s THR 63 CO 0.62 -1.02 0.17 -0.22 -0.54 0.00 0.00 174.62 173.63 3kee s LEU 64 N -4.96 4.24 -0.01 4.79 2.96 -0.21 -4.83 118.68 120.67 3kee s LEU 64 Ca 0.53 0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 54.46 3kee s LEU 64 Cb -0.11 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 3kee s LEU 64 CO 0.50 0.19 1.62 0.00 -1.32 0.00 0.00 176.35 177.34 3kee s ALA 65 N 0.19 3.63 0.33 5.97 0.00 -1.26 0.10 121.76 130.73 3kee s ALA 65 Ca 0.11 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.12 3kee s ALA 65 Cb -0.12 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 3kee s ALA 65 CO 0.00 -1.24 0.08 0.20 0.00 0.00 0.00 175.76 174.80 3kee s GLY 66 N 2.85 2.11 0.38 0.00 0.00 -0.67 -4.54 107.32 107.45 3kee s GLY 66 Ca 0.72 -1.86 0.05 0.00 0.00 0.00 0.00 44.72 43.63 3kee s GLY 66 CO 0.30 -1.78 2.01 -2.55 0.00 0.00 0.00 173.10 171.08 3kee h PRO 67 N 2.10 0.63 -0.67 2.90 0.11 -1.80 0.34 132.00 135.62 3kee h PRO 67 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kee h PRO 67 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kee h PRO 67 CO 0.65 0.46 0.00 1.63 -0.21 0.00 0.00 178.00 180.53 3kee n LYS 68 N -4.43 3.56 0.00 1.05 5.02 -1.26 -4.61 118.16 117.49 3kee n LYS 68 Ca 0.04 -2.79 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 3kee n LYS 68 Cb 0.09 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3kee n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kee n GLY 69 N 1.22 -2.08 3.77 0.72 0.00 -1.00 -5.06 105.19 102.77 3kee n GLY 69 Ca 0.25 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3kee n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kee s PRO 70 N -0.77 3.87 -0.19 1.61 0.04 -0.79 -2.61 135.00 136.16 3kee s PRO 70 Ca 0.00 2.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.40 3kee s PRO 70 Cb 0.00 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 3kee s PRO 70 CO 0.00 -0.69 0.21 0.42 0.04 0.00 0.00 177.00 176.98 3kee s ILE 71 N -1.17 5.35 0.34 0.56 1.01 0.29 -4.86 121.20 122.72 3kee s ILE 71 Ca 0.57 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 61.33 3kee s ILE 71 Cb -0.45 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 3kee s ILE 71 CO 0.59 0.40 0.96 -0.89 0.00 0.00 0.00 174.94 176.01 3kee s THR 72 N 0.51 4.15 0.27 2.92 2.01 -1.26 -1.04 115.64 123.19 3kee s THR 72 Ca 0.12 1.72 -0.31 0.00 0.31 0.00 0.00 61.69 63.53 3kee s THR 72 Cb -0.12 -3.92 -0.11 0.00 0.01 0.00 0.00 72.50 68.35 3kee s THR 72 CO 0.01 0.08 1.63 -1.10 -0.69 0.00 0.00 174.62 174.55 3kee s GLN 73 N -2.23 4.13 -0.00 4.92 -0.21 -1.26 -4.61 119.66 120.39 3kee s GLN 73 Ca 0.52 2.58 -0.02 0.00 0.02 0.00 0.00 55.36 58.46 3kee s GLN 73 Cb -0.18 -3.04 -0.27 0.00 1.00 0.00 0.00 33.01 30.51 3kee s GLN 73 CO 0.23 -0.66 0.84 0.52 -2.12 0.00 0.00 175.29 174.10 3kee h MET 74 N 5.41 0.24 -4.74 2.91 2.86 -1.11 -3.47 114.93 117.03 3kee h MET 74 Ca -0.46 -0.40 -0.46 0.00 -2.06 0.00 0.00 59.70 56.31 3kee h MET 74 Cb 1.21 0.15 -0.31 0.00 0.06 0.00 0.00 31.60 32.71 3kee h MET 74 CO 0.84 1.09 -0.80 0.71 1.06 0.00 0.00 176.91 179.81 3kee s TYR 75 N -2.62 1.15 -0.32 -0.22 2.02 -0.94 -4.99 117.35 111.45 3kee s TYR 75 Ca -0.09 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3kee s TYR 75 Cb 0.07 -0.81 0.13 0.00 -0.40 0.00 0.00 41.96 40.95 3kee s TYR 75 CO 0.85 -0.13 0.26 0.99 -1.57 0.00 0.00 175.55 175.95 3kee s THR 76 N 0.21 -0.22 -0.75 -0.71 2.01 -1.26 -0.53 115.64 114.39 3kee s THR 76 Ca -0.04 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 3kee s THR 76 Cb -0.10 -0.94 0.19 0.00 0.01 0.00 0.00 72.50 71.66 3kee s THR 76 CO 0.01 -0.64 0.60 0.21 -0.69 0.00 0.00 174.62 174.11 3kee s ASN 77 N 1.89 5.75 0.39 3.53 3.04 0.48 -4.93 114.94 125.08 3kee s ASN 77 Ca 0.12 -3.08 0.05 0.00 0.04 0.00 0.00 52.86 50.00 3kee s ASN 77 Cb -0.16 -1.94 0.77 0.00 -1.54 0.00 0.00 41.25 38.38 3kee s ASN 77 CO -0.22 -0.35 2.03 -0.37 -3.04 0.00 0.00 177.10 175.15 3kee h VAL 78 N 4.82 1.13 0.00 -5.21 -1.51 -1.96 -1.37 116.25 112.15 3kee h VAL 78 Ca 0.06 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3kee h VAL 78 Cb 0.93 0.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3kee h VAL 78 CO 0.76 0.13 -0.01 0.44 -1.23 0.00 0.00 177.57 177.67 3kee h ASP 79 N 0.64 0.00 -0.00 4.19 3.32 -1.95 -2.53 116.42 120.09 3kee h ASP 79 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3kee h ASP 79 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3kee h ASP 79 CO -0.03 0.01 -0.54 0.00 -1.72 0.00 0.00 179.24 176.96 3kee n GLN 80 N -3.49 2.47 -3.09 3.56 1.13 -0.84 -5.01 117.38 112.11 3kee n GLN 80 Ca -0.03 -0.18 -0.15 0.00 -1.94 0.00 0.00 57.00 54.70 3kee n GLN 80 Cb 0.09 -1.14 0.04 0.00 0.11 0.00 0.00 30.24 29.35 3kee n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kee n ASP 81 N -1.03 -4.77 -4.03 1.08 2.03 -0.72 -4.88 116.55 104.23 3kee n ASP 81 Ca 0.03 -0.31 -0.29 0.00 0.52 0.00 0.00 54.79 54.75 3kee n ASP 81 Cb 0.23 -3.43 -0.17 0.00 -0.72 0.00 0.00 41.12 37.03 3kee n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kee s LEU 82 N -4.93 1.65 0.20 -2.67 0.20 -0.60 -1.50 118.68 111.03 3kee s LEU 82 Ca 0.33 -0.43 0.10 0.00 0.69 0.00 0.00 54.13 54.83 3kee s LEU 82 Cb -0.15 -1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 3kee s LEU 82 CO 0.41 -0.02 -0.20 0.68 -0.29 0.00 0.00 176.35 176.94 3kee s VAL 83 N 1.20 2.10 -0.03 1.68 -7.23 -0.14 0.18 120.40 118.16 3kee s VAL 83 Ca -0.02 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 3kee s VAL 83 Cb -0.14 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.76 3kee s VAL 83 CO -0.05 -0.32 0.11 -0.83 -0.31 0.00 0.00 175.10 173.69 3kee s GLY 84 N -2.96 -0.03 0.09 2.32 0.00 0.30 -1.64 107.32 105.41 3kee s GLY 84 Ca 0.21 0.14 0.08 0.00 0.00 0.00 0.00 44.72 45.15 3kee s GLY 84 CO 0.09 0.07 -0.18 -0.98 0.00 0.00 0.00 173.10 172.11 3kee s TRP 85 N -0.41 2.56 -0.28 1.90 0.51 -0.67 -0.43 118.94 122.12 3kee s TRP 85 Ca -0.05 -0.25 -0.35 0.00 -2.12 0.00 0.00 56.10 53.33 3kee s TRP 85 Cb -0.03 -1.39 -0.11 0.00 -0.81 0.00 0.00 33.47 31.12 3kee s TRP 85 CO 0.00 0.35 2.07 0.94 -0.51 0.00 0.00 176.95 179.80 3kee n GLN 86 N 1.04 1.39 -1.74 4.98 -0.06 -1.26 0.40 117.38 122.12 3kee n GLN 86 Ca -0.16 0.43 -0.42 0.00 -2.00 0.00 0.00 57.00 54.86 3kee n GLN 86 Cb 0.52 -2.52 -0.01 0.00 -4.06 0.00 0.00 30.24 24.17 3kee n GLN 86 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kee n ALA 87 N 8.75 2.50 -1.75 1.69 0.00 0.19 -4.76 120.51 127.13 3kee n ALA 87 Ca 0.34 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.78 3kee n ALA 87 Cb 0.25 -2.46 0.04 0.00 0.00 0.00 0.00 19.45 17.28 3kee n ALA 87 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kee s PRO 88 N -0.60 3.07 -0.12 0.00 0.02 -1.26 -4.89 135.00 131.21 3kee s PRO 88 Ca 0.63 2.10 -0.40 0.00 0.02 0.00 0.00 61.00 63.36 3kee s PRO 88 Cb -0.50 -2.15 -0.18 0.00 0.02 0.00 0.00 34.50 31.69 3kee s PRO 88 CO 0.49 -1.20 1.40 -2.30 -0.33 0.00 0.00 177.00 175.06 3kee n PRO 89 N -1.21 0.64 0.00 5.54 -0.01 -1.26 -1.60 135.00 137.09 3kee n PRO 89 Ca 0.12 0.23 0.00 0.00 -0.01 0.00 0.00 63.50 63.84 3kee n PRO 89 Cb 0.46 -1.82 0.00 0.00 -0.01 0.00 0.00 33.50 32.13 3kee n PRO 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3kee n GLY 90 N 2.87 2.66 3.71 -1.23 0.00 -1.26 -4.57 105.19 107.38 3kee n GLY 90 Ca 0.23 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3kee n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kee n ALA 91 N 0.00 2.25 -2.56 4.61 0.00 -0.63 -4.20 120.51 119.98 3kee n ALA 91 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3kee n ALA 91 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.96 3kee n ALA 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kee s ARG 92 N 0.56 3.50 0.29 0.00 0.52 -0.66 -4.91 118.95 118.24 3kee s ARG 92 Ca 0.73 0.08 -0.28 0.00 -0.52 0.00 0.00 55.73 55.73 3kee s ARG 92 Cb -0.56 -3.93 -0.09 0.00 0.52 0.00 0.00 34.95 30.89 3kee s ARG 92 CO 0.39 -1.18 1.01 -1.12 0.02 0.00 0.00 175.30 174.42 3kee s SER 93 N 2.22 7.35 0.73 0.23 0.01 -1.26 -3.61 113.70 119.37 3kee s SER 93 Ca 0.35 2.05 -0.11 0.00 1.31 0.00 0.00 55.95 59.55 3kee s SER 93 Cb -0.11 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.55 3kee s SER 93 CO 0.25 -0.07 1.08 -0.76 0.41 0.00 0.00 173.24 174.15 3kee s LEU 94 N -1.61 3.10 -0.12 2.44 1.43 0.16 -4.79 118.68 119.30 3kee s LEU 94 Ca 0.46 1.76 -0.05 0.00 -1.03 0.00 0.00 54.13 55.27 3kee s LEU 94 Cb -0.26 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.41 3kee s LEU 94 CO 0.33 -1.77 0.06 0.28 0.23 0.00 0.00 176.35 175.48 3kee s THR 95 N -2.91 4.82 0.17 5.49 -1.32 -1.26 -2.61 115.64 118.01 3kee s THR 95 Ca 0.60 -0.05 -0.33 0.00 -1.21 0.00 0.00 61.69 60.71 3kee s THR 95 Cb -0.16 -3.08 -0.16 0.00 -1.51 0.00 0.00 72.50 67.59 3kee s THR 95 CO 0.54 0.58 1.12 -2.65 -2.21 0.00 0.00 174.62 172.01 3kee n PRO 96 N 2.35 1.04 -2.32 7.08 -0.02 -1.26 -1.12 135.00 140.75 3kee n PRO 96 Ca -0.19 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 3kee n PRO 96 Cb 0.54 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 3kee n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kee n THR 98 N 2.85 0.11 -1.83 0.00 -2.24 -1.26 -4.94 114.28 106.97 3kee n THR 98 Ca 0.06 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 3kee n THR 98 Cb 0.44 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 3kee n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kee n GLY 100 N 4.31 4.22 3.76 0.00 0.00 -1.26 -4.91 105.19 111.31 3kee n GLY 100 Ca 0.18 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 3kee n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kee s SER 101 N 2.33 7.22 -0.01 1.61 0.15 -1.26 -4.93 113.70 118.81 3kee s SER 101 Ca 0.67 2.23 0.22 0.00 0.70 0.00 0.00 55.95 59.77 3kee s SER 101 Cb 0.17 -2.62 0.65 0.00 -1.71 0.00 0.00 66.02 62.51 3kee s SER 101 CO -0.06 -0.17 1.54 -1.20 1.20 0.00 0.00 173.24 174.55 3kee n SER 102 N 1.05 3.96 -4.35 5.45 7.64 -1.26 -4.79 113.62 121.31 3kee n SER 102 Ca -0.00 -2.03 -0.46 0.00 1.01 0.00 0.00 58.87 57.39 3kee n SER 102 Cb 0.45 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 3kee n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3kee s ASP 103 N -0.99 6.39 0.28 6.43 1.01 -1.26 -0.75 116.67 127.78 3kee s ASP 103 Ca 0.49 -1.94 0.09 0.00 0.71 0.00 0.00 52.55 51.91 3kee s ASP 103 Cb 0.26 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 3kee s ASP 103 CO 0.33 -0.89 0.01 -0.76 0.21 0.00 0.00 175.17 174.06 3kee s LEU 104 N 1.71 3.16 -0.09 1.23 1.43 -0.11 -3.54 118.68 122.48 3kee s LEU 104 Ca 0.13 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3kee s LEU 104 Cb -0.20 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.39 3kee s LEU 104 CO -0.00 -0.05 0.03 -0.31 0.23 0.00 0.00 176.35 176.25 3kee s TYR 105 N -2.36 0.51 -0.12 0.29 2.02 0.87 -1.80 117.35 116.76 3kee s TYR 105 Ca 0.32 -0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 56.71 3kee s TYR 105 Cb -0.05 -0.74 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 3kee s TYR 105 CO 0.20 -0.34 0.40 -1.17 -1.57 0.00 0.00 175.55 173.06 3kee s LEU 106 N 2.02 4.29 -0.20 -1.29 2.96 0.37 -1.17 118.68 125.66 3kee s LEU 106 Ca 0.04 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 3kee s LEU 106 Cb -0.13 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 3kee s LEU 106 CO -0.05 0.08 0.04 -0.69 -1.32 0.00 0.00 176.35 174.40 3kee s VAL 107 N 0.36 4.38 0.50 1.68 1.01 -0.70 0.04 120.40 127.66 3kee s VAL 107 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3kee s VAL 107 Cb -0.14 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3kee s VAL 107 CO 0.08 0.43 0.69 0.42 0.00 0.00 0.00 175.10 176.72 3kee s THR 108 N 0.75 2.83 0.64 3.92 -4.23 -0.08 -4.21 115.64 115.27 3kee s THR 108 Ca 0.02 -0.80 0.37 0.00 -1.18 0.00 0.00 61.69 60.10 3kee s THR 108 Cb -0.14 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 71.08 3kee s THR 108 CO 0.02 -0.01 2.21 0.08 -0.54 0.00 0.00 174.62 176.38 3kee h ARG 109 N 0.31 0.00 -0.59 3.99 0.11 -1.89 0.99 114.38 117.30 3kee h ARG 109 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3kee h ARG 109 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3kee h ARG 109 CO 0.49 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.28 3kee n HIS 110 N -3.28 0.97 -1.93 4.08 8.25 -1.26 -4.94 115.22 117.11 3kee n HIS 110 Ca -0.02 -0.40 -0.17 0.00 -0.26 0.00 0.00 57.72 56.87 3kee n HIS 110 Cb 0.19 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 3kee n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kee n ALA 111 N 0.81 -0.39 -2.13 -1.41 0.00 0.34 -4.84 120.51 112.89 3kee n ALA 111 Ca 0.18 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 3kee n ALA 111 Cb 0.61 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 3kee n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kee s ASP 112 N -2.51 7.24 -0.20 0.00 1.01 -1.26 -4.56 116.67 116.39 3kee s ASP 112 Ca 0.00 2.07 -0.06 0.00 0.71 0.00 0.00 52.55 55.27 3kee s ASP 112 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 3kee s ASP 112 CO 0.00 -0.26 0.03 0.68 0.21 0.00 0.00 175.17 175.83 3kee s VAL 113 N -0.03 4.29 -0.06 -1.27 -7.23 -1.26 -0.91 120.40 113.94 3kee s VAL 113 Ca 0.51 -0.20 0.03 0.00 -1.81 0.00 0.00 61.98 60.50 3kee s VAL 113 Cb -0.29 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.71 3kee s VAL 113 CO 0.34 0.42 -0.13 0.27 -0.31 0.00 0.00 175.10 175.69 3kee s ILE 114 N 0.88 1.16 0.37 -0.62 -4.36 0.11 -4.91 121.20 113.82 3kee s ILE 114 Ca 0.02 -0.51 -0.27 0.00 -0.26 0.00 0.00 60.65 59.63 3kee s ILE 114 Cb -0.14 -1.05 -0.10 0.00 1.25 0.00 0.00 42.46 42.43 3kee s ILE 114 CO 0.02 0.36 1.30 -2.84 0.24 0.00 0.00 174.94 174.01 3kee s PRO 115 N 0.51 4.18 -0.08 0.37 0.02 -1.26 -0.48 135.00 138.26 3kee s PRO 115 Ca -0.12 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 62.95 3kee s PRO 115 Cb -0.14 -2.92 0.03 0.00 0.02 0.00 0.00 34.50 31.48 3kee s PRO 115 CO 0.03 -0.32 0.30 0.14 -0.33 0.00 0.00 177.00 176.83 3kee s VAL 116 N -1.21 0.02 -0.25 3.83 -7.23 -0.75 -3.72 120.40 111.10 3kee s VAL 116 Ca 0.53 -0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 60.43 3kee s VAL 116 Cb -0.38 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 3kee s VAL 116 CO 0.50 -0.09 0.13 -0.60 -0.31 0.00 0.00 175.10 174.73 3kee s ARG 117 N -0.33 3.91 0.15 4.82 3.00 -0.27 -0.93 118.95 129.29 3kee s ARG 117 Ca -0.05 -0.35 -0.31 0.00 -1.00 0.00 0.00 55.73 54.02 3kee s ARG 117 Cb -0.03 -3.48 -0.09 0.00 0.00 0.00 0.00 34.95 31.35 3kee s ARG 117 CO 0.02 -0.06 1.45 0.50 0.00 0.00 0.00 175.30 177.21 3kee s ARG 118 N 1.35 4.28 -0.00 5.12 3.52 0.07 -0.75 118.95 132.55 3kee s ARG 118 Ca 0.06 2.19 0.01 0.00 -0.13 0.00 0.00 55.73 57.86 3kee s ARG 118 Cb -0.15 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 3kee s ARG 118 CO 0.06 -0.48 0.02 0.54 -0.81 0.00 0.00 175.30 174.63 3kee n ARG 119 N 3.73 1.14 -0.45 5.12 5.12 0.72 -4.90 116.66 127.13 3kee n ARG 119 Ca 0.11 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 3kee n ARG 119 Cb 0.41 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 3kee n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kee n GLY 120 N 2.21 2.23 0.36 -0.13 0.00 -0.91 -4.95 105.19 103.99 3kee n GLY 120 Ca -0.00 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.29 3kee n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kee h ASP 121 N 0.00 0.87 0.00 1.61 3.45 -1.98 -3.25 116.42 117.12 3kee h ASP 121 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3kee h ASP 121 Cb 0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3kee h ASP 121 CO 0.00 0.42 -0.16 -1.54 -1.57 0.00 0.00 179.24 176.38 3kee n SER 122 N -4.68 1.08 -4.03 6.45 3.41 -1.26 -4.51 113.62 110.08 3kee n SER 122 Ca 0.20 -2.14 -0.19 0.00 -0.26 0.00 0.00 58.87 56.48 3kee n SER 122 Cb 0.42 -0.20 -0.15 0.00 -0.26 0.00 0.00 64.21 64.03 3kee n SER 122 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kee s ARG 123 N -1.06 0.77 -0.14 4.33 0.52 -1.23 -0.36 118.95 121.79 3kee s ARG 123 Ca 0.10 -0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 54.82 3kee s ARG 123 Cb 0.09 -0.75 0.04 0.00 0.52 0.00 0.00 34.95 34.85 3kee s ARG 123 CO 0.01 0.20 0.41 0.20 0.02 0.00 0.00 175.30 176.14 3kee s GLY 124 N -0.23 -0.30 -0.12 -3.53 0.00 -0.67 -0.20 107.32 102.27 3kee s GLY 124 Ca 0.04 1.07 -0.06 0.00 0.00 0.00 0.00 44.72 45.77 3kee s GLY 124 CO -0.00 0.90 0.10 -1.35 0.00 0.00 0.00 173.10 172.75 3kee s SER 125 N 0.02 6.02 0.39 1.64 1.04 0.07 -0.17 113.70 122.71 3kee s SER 125 Ca -0.02 0.34 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 3kee s SER 125 Cb -0.03 -1.92 -0.09 0.00 0.10 0.00 0.00 66.02 64.09 3kee s SER 125 CO 0.01 0.36 1.15 -0.76 0.98 0.00 0.00 173.24 174.99 3kee s LEU 126 N -0.76 4.21 0.27 2.42 1.43 -0.82 -1.12 118.68 124.30 3kee s LEU 126 Ca 0.13 2.31 0.04 0.00 -1.03 0.00 0.00 54.13 55.58 3kee s LEU 126 Cb -0.12 -4.02 0.36 0.00 0.03 0.00 0.00 46.19 42.45 3kee s LEU 126 CO 0.03 -0.62 1.66 -0.07 0.23 0.00 0.00 176.35 177.57 3kee h LEU 127 N 2.69 0.38 -7.96 1.79 3.38 -1.89 -3.42 115.31 110.28 3kee h LEU 127 Ca -0.49 -0.16 -0.54 0.00 0.09 0.00 0.00 57.88 56.79 3kee h LEU 127 Cb 1.23 -0.11 -0.34 0.00 0.09 0.00 0.00 40.66 41.53 3kee h LEU 127 CO 0.63 0.75 -0.82 -0.44 0.09 0.00 0.00 178.44 178.65 3kee s SER 128 N -6.87 2.02 0.30 -0.43 0.01 -1.26 -5.13 113.70 102.34 3kee s SER 128 Ca -0.06 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 3kee s SER 128 Cb 0.13 -0.90 -0.14 0.00 0.21 0.00 0.00 66.02 65.31 3kee s SER 128 CO 0.79 0.01 0.80 -0.81 0.41 0.00 0.00 173.24 174.45 3kee n PRO 129 N 4.05 0.89 -4.35 12.44 -0.04 -1.26 -4.95 135.00 141.78 3kee n PRO 129 Ca -0.20 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 3kee n PRO 129 Cb 0.51 -1.60 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 3kee n PRO 129 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kee s ARG 130 N -1.46 0.91 0.39 0.54 1.81 -0.38 -4.97 118.95 115.78 3kee s ARG 130 Ca 0.61 -0.71 -0.27 0.00 -1.72 0.00 0.00 55.73 53.63 3kee s ARG 130 Cb -0.72 -0.90 -0.10 0.00 -0.45 0.00 0.00 34.95 32.77 3kee s ARG 130 CO 0.59 0.22 1.47 -1.25 -0.68 0.00 0.00 175.30 175.65 3kee s PRO 131 N -1.06 4.01 0.34 3.54 0.04 -1.26 -0.51 135.00 140.10 3kee s PRO 131 Ca 0.01 2.53 0.13 0.00 0.04 0.00 0.00 61.00 63.72 3kee s PRO 131 Cb -0.08 -2.89 1.04 0.00 0.04 0.00 0.00 34.50 32.61 3kee s PRO 131 CO 0.01 -0.60 1.68 0.28 0.04 0.00 0.00 177.00 178.42 3kee h VAL 132 N 2.81 0.36 -0.78 -0.36 2.07 -1.94 -2.37 116.25 116.05 3kee h VAL 132 Ca -0.51 -0.13 0.15 0.00 0.82 0.00 0.00 66.70 67.03 3kee h VAL 132 Cb 1.25 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3kee h VAL 132 CO 0.63 0.07 0.52 0.77 0.02 0.00 0.00 177.57 179.58 3kee h SER 133 N 0.39 0.40 0.46 0.57 4.64 -1.95 -1.74 113.55 116.33 3kee h SER 133 Ca 0.71 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.97 3kee h SER 133 Cb 1.56 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 3kee h SER 133 CO -0.56 0.20 -0.42 0.22 -0.87 0.00 0.00 176.83 175.40 3kee h TYR 134 N 0.42 0.00 0.00 4.77 3.20 -1.80 -3.28 116.97 120.28 3kee h TYR 134 Ca 0.38 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 62.02 3kee h TYR 134 Cb 0.88 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 3kee h TYR 134 CO -0.00 0.42 -2.05 1.28 -1.64 0.00 0.00 178.16 176.18 3kee n LEU 135 N -3.97 0.24 -4.63 2.82 7.99 -0.73 -4.95 117.00 113.77 3kee n LEU 135 Ca -0.02 0.11 -0.50 0.00 -0.01 0.00 0.00 56.01 55.59 3kee n LEU 135 Cb 0.46 0.27 -0.05 0.00 -0.11 0.00 0.00 43.42 43.98 3kee n LEU 135 CO 0.39 0.30 1.08 0.29 -1.51 0.00 0.00 177.39 177.94 3kee n LYS 136 N -2.68 1.57 -0.39 3.23 4.76 -0.73 -1.90 118.16 122.02 3kee n LYS 136 Ca -0.20 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 3kee n LYS 136 Cb 0.94 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3kee n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kee n GLY 137 N 3.10 0.76 0.29 0.72 0.00 -1.26 -4.95 105.19 103.84 3kee n GLY 137 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3kee n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kee n SER 138 N 0.00 1.83 -4.71 1.61 7.64 -0.80 -3.95 113.62 115.25 3kee n SER 138 Ca 0.00 -1.49 -0.40 0.00 1.01 0.00 0.00 58.87 57.99 3kee n SER 138 Cb 0.00 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3kee n SER 138 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3kee n SER 139 N 0.28 2.52 0.00 6.43 3.41 -1.26 -1.28 113.62 123.72 3kee n SER 139 Ca 0.05 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 3kee n SER 139 Cb 0.22 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 3kee n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kee n GLY 140 N 0.81 1.73 3.91 5.00 0.00 0.45 -1.38 105.19 115.71 3kee n GLY 140 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3kee n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kee s GLY 141 N -2.00 1.61 0.27 -0.02 0.00 -0.41 -3.06 107.32 103.72 3kee s GLY 141 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 44.72 43.98 3kee s GLY 141 CO 0.00 -0.29 0.69 2.56 0.00 0.00 0.00 173.10 176.06 3kee s PRO 142 N -5.09 4.03 -0.07 2.90 0.04 -1.26 -0.41 135.00 135.14 3kee s PRO 142 Ca 0.55 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 3kee s PRO 142 Cb -0.11 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3kee s PRO 142 CO 0.47 0.26 0.10 -0.51 0.04 0.00 0.00 177.00 177.36 3kee s LEU 143 N -2.63 4.07 0.02 -3.56 1.02 0.13 -1.72 118.68 116.00 3kee s LEU 143 Ca 0.49 0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.95 3kee s LEU 143 Cb -0.12 -2.14 -0.01 0.00 0.02 0.00 0.00 46.19 43.93 3kee s LEU 143 CO 0.19 0.35 -0.05 -0.76 0.02 0.00 0.00 176.35 176.09 3kee s LEU 144 N -1.31 2.13 0.72 1.79 1.02 -0.32 -0.93 118.68 121.78 3kee s LEU 144 Ca 0.18 -0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.01 3kee s LEU 144 Cb -0.12 -0.16 0.12 0.00 0.02 0.00 0.00 46.19 46.05 3kee s LEU 144 CO 0.08 -0.09 0.99 0.00 0.02 0.00 0.00 176.35 177.36 3kee h PRO 146 N -0.54 0.00 -0.00 0.00 0.11 -1.92 -0.79 132.00 128.87 3kee h PRO 146 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kee h PRO 146 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kee h PRO 146 CO 0.42 0.00 -0.00 0.43 -0.21 0.00 0.00 178.00 178.64 3kee n SER 147 N -2.73 0.01 -0.38 -2.05 7.64 -1.26 -4.93 113.62 109.91 3kee n SER 147 Ca -0.00 -0.08 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 3kee n SER 147 Cb 0.17 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 3kee n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kee n GLY 148 N 1.31 0.68 3.89 0.23 0.00 -0.30 -5.06 105.19 105.95 3kee n GLY 148 Ca 0.13 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3kee n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kee s HIS 149 N -2.18 3.47 -0.12 1.61 3.76 -1.26 -4.78 115.29 115.79 3kee s HIS 149 Ca 0.00 0.78 -0.30 0.00 -0.15 0.00 0.00 55.06 55.39 3kee s HIS 149 Cb 0.00 -2.22 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 3kee s HIS 149 CO 0.00 0.08 1.04 0.00 -0.85 0.00 0.00 174.74 175.01 3kee s ALA 150 N -2.18 3.45 -0.18 -1.40 0.00 -0.27 -2.34 121.76 118.84 3kee s ALA 150 Ca 0.46 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.98 3kee s ALA 150 Cb -0.11 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.30 3kee s ALA 150 CO 0.30 -0.69 0.14 0.28 0.00 0.00 0.00 175.76 175.80 3kee n VAL 151 N 4.66 1.35 -3.40 0.00 0.31 -0.11 -1.14 118.33 120.00 3kee n VAL 151 Ca 0.09 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 3kee n VAL 151 Cb 0.48 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 3kee n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kee n GLY 152 N 1.71 -1.13 3.21 2.92 0.00 -1.21 -0.53 105.19 110.16 3kee n GLY 152 Ca -0.30 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 3kee n GLY 152 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kee s ILE 153 N -3.00 1.57 0.28 -0.61 -4.36 -1.01 -0.69 121.20 113.38 3kee s ILE 153 Ca 0.00 -0.86 -0.30 0.00 -0.26 0.00 0.00 60.65 59.23 3kee s ILE 153 Cb 0.00 -1.30 -0.11 0.00 1.25 0.00 0.00 42.46 42.30 3kee s ILE 153 CO 0.00 0.43 1.56 0.12 0.24 0.00 0.00 174.94 177.29 3kee s PHE 154 N -0.48 2.82 0.00 1.37 5.36 0.46 -1.72 117.98 125.79 3kee s PHE 154 Ca 0.08 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 3kee s PHE 154 Cb -0.08 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 3kee s PHE 154 CO -0.01 -3.36 0.00 -2.13 -1.46 0.00 0.00 175.22 168.26 3kee n ARG 155 N 2.25 0.00 -3.59 10.12 0.63 -0.03 -0.41 116.66 125.64 3kee n ARG 155 Ca 0.08 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.91 3kee n ARG 155 Cb 0.38 -0.64 -0.02 0.00 0.45 0.00 0.00 32.46 32.62 3kee n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kee s ALA 156 N -1.88 -1.38 0.24 5.13 0.00 -0.94 -4.91 121.76 118.02 3kee s ALA 156 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.22 3kee s ALA 156 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 3kee s ALA 156 CO 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 175.76 174.85 3kee s ALA 157 N -3.81 3.01 -0.12 0.00 0.00 -1.26 -0.36 121.76 119.21 3kee s ALA 157 Ca 0.05 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.37 3kee s ALA 157 Cb -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 3kee s ALA 157 CO -0.06 0.33 -0.14 0.08 0.00 0.00 0.00 175.76 175.97 3kee s VAL 158 N -2.16 2.96 0.16 0.00 1.01 -0.36 -4.88 120.40 117.14 3kee s VAL 158 Ca 0.29 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kee s VAL 158 Cb -0.07 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3kee s VAL 158 CO 0.17 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.65 3kee s THR 160 N -1.54 2.38 -1.46 0.00 2.01 -0.67 -4.76 115.64 111.60 3kee s THR 160 Ca 0.22 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 3kee s THR 160 Cb -0.09 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.45 3kee s THR 160 CO 0.13 0.52 0.89 0.54 -0.69 0.00 0.00 174.62 176.01 3kee n ARG 161 N 4.35 -6.04 -0.92 4.92 5.12 -1.26 -2.49 116.66 120.35 3kee n ARG 161 Ca -0.20 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 3kee n ARG 161 Cb 0.51 -5.70 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 3kee n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kee n GLY 162 N -1.71 0.53 3.62 -0.13 0.00 -1.26 -5.01 105.19 101.23 3kee n GLY 162 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kee n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kee s VAL 163 N -2.44 3.77 -0.17 1.61 -7.23 -1.04 -4.41 120.40 110.49 3kee s VAL 163 Ca 0.00 -0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 3kee s VAL 163 Cb 0.00 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 3kee s VAL 163 CO 0.00 0.38 1.48 0.00 -0.31 0.00 0.00 175.10 176.65 3kee s ALA 164 N -1.02 3.49 -0.23 1.32 0.00 0.33 -1.68 121.76 123.97 3kee s ALA 164 Ca 0.18 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.73 3kee s ALA 164 Cb -0.11 -3.75 -0.07 0.00 0.00 0.00 0.00 23.12 19.19 3kee s ALA 164 CO 0.08 -1.55 0.23 0.36 0.00 0.00 0.00 175.76 174.87 3kee n LYS 165 N 7.17 4.30 -3.90 0.00 -0.00 0.04 -1.25 118.16 124.51 3kee n LYS 165 Ca 0.16 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.37 3kee n LYS 165 Cb 0.45 -0.83 -0.06 0.00 -0.00 0.00 0.00 35.03 34.59 3kee n LYS 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kee s ALA 166 N -1.69 -0.31 0.06 0.58 0.00 -0.89 -1.95 121.76 117.57 3kee s ALA 166 Ca 0.01 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3kee s ALA 166 Cb 0.04 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 3kee s ALA 166 CO 0.24 -0.73 -0.11 0.14 0.00 0.00 0.00 175.76 175.30 3kee s VAL 167 N -3.95 0.88 -0.08 0.00 -7.23 0.76 -1.22 120.40 109.55 3kee s VAL 167 Ca 0.16 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 3kee s VAL 167 Cb 0.01 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 3kee s VAL 167 CO 0.01 -0.33 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.74 3kee s ASP 168 N -1.78 4.25 0.03 4.85 2.15 0.51 -1.67 116.67 125.01 3kee s ASP 168 Ca -0.04 -0.17 -0.01 0.00 0.43 0.00 0.00 52.55 52.76 3kee s ASP 168 Cb -0.09 -1.14 -0.02 0.00 -0.30 0.00 0.00 42.92 41.37 3kee s ASP 168 CO 0.01 0.31 -0.01 0.72 -0.17 0.00 0.00 175.17 176.03 3kee s PHE 169 N -0.49 0.31 -0.20 -5.34 -0.12 0.51 -0.85 117.98 111.82 3kee s PHE 169 Ca 0.07 -0.65 -0.29 0.00 -0.05 0.00 0.00 56.93 56.00 3kee s PHE 169 Cb -0.12 -0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 3kee s PHE 169 CO 0.02 -0.26 1.28 0.08 -0.05 0.00 0.00 175.22 176.28 3kee s VAL 170 N -2.23 4.24 0.47 -2.49 1.01 -0.70 -4.51 120.40 116.19 3kee s VAL 170 Ca -0.09 1.47 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 3kee s VAL 170 Cb -0.04 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 3kee s VAL 170 CO -0.04 -0.22 1.16 -2.84 0.00 0.00 0.00 175.10 173.16 3kee s PRO 171 N 3.69 3.71 0.33 2.72 0.02 -1.26 -2.39 135.00 141.81 3kee s PRO 171 Ca 0.55 1.75 0.07 0.00 0.02 0.00 0.00 61.00 63.40 3kee s PRO 171 Cb -0.20 -2.36 0.77 0.00 0.02 0.00 0.00 34.50 32.73 3kee s PRO 171 CO 0.17 -0.59 1.83 -0.24 -0.33 0.00 0.00 177.00 177.84 3kee h VAL 172 N 1.79 0.79 -0.82 3.83 3.04 -1.11 -1.52 116.25 122.26 3kee h VAL 172 Ca -0.49 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 3kee h VAL 172 Cb 1.25 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.47 3kee h VAL 172 CO 0.60 0.14 0.44 1.05 -1.01 0.00 0.00 177.57 178.78 3kee h GLU 173 N 0.75 1.15 0.00 4.17 9.09 -1.92 -0.86 114.58 126.96 3kee h GLU 173 Ca 0.51 -0.14 -0.03 0.00 0.05 0.00 0.00 59.36 59.74 3kee h GLU 173 Cb 0.79 -0.22 -0.00 0.00 -1.65 0.00 0.00 28.75 27.66 3kee h GLU 173 CO -0.27 0.86 -0.16 1.03 0.05 0.00 0.00 179.01 180.52 3kee h SER 174 N 1.15 0.00 -0.23 3.06 0.87 -1.69 -0.78 113.55 115.93 3kee h SER 174 Ca 0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3kee h SER 174 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3kee h SER 174 CO -0.04 0.16 -0.11 0.24 -0.53 0.00 0.00 176.83 176.54 3kee h MET 175 N 0.00 0.48 -0.69 2.24 2.86 -0.47 -3.09 114.93 116.26 3kee h MET 175 Ca -0.00 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 3kee h MET 175 Cb 0.65 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3kee h MET 175 CO 0.02 0.75 0.25 1.49 1.06 0.00 0.00 176.91 180.48 3kee h GLU 176 N 0.19 1.04 0.20 1.72 4.22 -0.90 -2.98 114.58 118.08 3kee h GLU 176 Ca 0.05 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.30 3kee h GLU 176 Cb 0.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3kee h GLU 176 CO 0.03 0.87 -0.18 1.15 -2.18 0.00 0.00 179.01 178.70 3kee h THR 177 N 1.01 0.60 -0.05 0.32 2.02 -1.19 -2.44 112.91 113.17 3kee h THR 177 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.42 3kee h THR 177 Cb 0.24 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3kee h THR 177 CO -0.01 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.94 3kee h THR 178 N -0.40 0.46 0.00 3.16 1.03 -1.52 -1.59 112.91 114.04 3kee h THR 178 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3kee h THR 178 Cb 0.37 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 3kee h THR 178 CO -0.04 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.70 3kee n MET 179 N -3.76 0.45 0.00 0.00 2.00 -0.92 -5.00 117.12 109.89 3kee n MET 179 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 3kee n MET 179 Cb 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.10 3kee n MET 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51