#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykp s ILE 2 N 0.00 4.21 -0.16 4.25 -1.09 -1.26 -5.05 121.20 122.10 1ykp s ILE 2 Ca 0.00 1.49 -0.06 0.00 -2.23 0.00 0.00 60.65 59.85 1ykp s ILE 2 Cb 0.00 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1ykp s ILE 2 CO 0.00 -0.10 0.04 -1.61 -1.23 0.00 0.00 174.94 172.04 1ykp s GLU 3 N 3.26 3.79 0.72 2.79 0.41 -1.26 -5.12 118.70 123.30 1ykp s GLU 3 Ca 0.56 -0.38 0.01 0.00 -0.41 0.00 0.00 54.97 54.76 1ykp s GLU 3 Cb -0.23 -3.11 0.14 0.00 -1.78 0.00 0.00 34.13 29.15 1ykp s GLU 3 CO 0.17 0.34 0.99 -0.51 -0.49 0.00 0.00 175.26 175.76 1ykp s LEU 4 N 0.16 2.95 0.23 1.80 1.02 -1.26 -5.02 118.68 118.56 1ykp s LEU 4 Ca 0.03 -0.56 -0.31 0.00 0.02 0.00 0.00 54.13 53.31 1ykp s LEU 4 Cb -0.13 -1.70 -0.11 0.00 0.02 0.00 0.00 46.19 44.27 1ykp s LEU 4 CO 0.01 -1.89 1.57 -0.76 0.02 0.00 0.00 176.35 175.30 1ykp s LEU 5 N -5.10 4.37 0.46 1.79 1.43 -1.26 -4.97 118.68 115.39 1ykp s LEU 5 Ca 0.67 2.76 -0.23 0.00 -1.03 0.00 0.00 54.13 56.30 1ykp s LEU 5 Cb -0.04 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 1ykp s LEU 5 CO 0.44 -0.84 1.17 -2.16 0.23 0.00 0.00 176.35 175.19 1ykp s PRO 6 N 0.30 3.76 0.23 1.29 0.04 -1.26 -5.00 135.00 134.36 1ykp s PRO 6 Ca 0.66 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 1ykp s PRO 6 Cb -0.45 -2.41 -0.10 0.00 0.04 0.00 0.00 34.50 31.58 1ykp s PRO 6 CO 0.39 -0.55 1.44 -2.00 0.04 0.00 0.00 177.00 176.32 1ykp s GLU 7 N -2.69 4.27 -0.18 4.56 2.12 -1.26 -4.95 118.70 120.57 1ykp s GLU 7 Ca 0.63 2.28 -0.42 0.00 0.36 0.00 0.00 54.97 57.82 1ykp s GLU 7 Cb -0.29 -3.13 -0.19 0.00 0.26 0.00 0.00 34.13 30.79 1ykp s GLU 7 CO 0.35 -0.43 1.38 2.41 -0.54 0.00 0.00 175.26 178.43 1ykp n THR 8 N 2.62 0.05 -1.91 -1.70 -1.04 -1.26 -4.90 114.28 106.14 1ykp n THR 8 Ca 0.08 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.67 1ykp n THR 8 Cb 0.40 -0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 68.43 1ykp n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykp s PRO 9 N 1.53 4.20 0.54 -2.82 0.02 -1.26 -4.99 135.00 132.21 1ykp s PRO 9 Ca 0.95 2.44 -0.18 0.00 0.02 0.00 0.00 61.00 64.23 1ykp s PRO 9 Cb -1.26 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 30.17 1ykp s PRO 9 CO 0.64 -0.45 1.06 0.45 -0.33 0.00 0.00 177.00 178.37 1ykp s SER 10 N -0.01 6.02 0.10 2.53 0.15 -1.26 -5.10 113.70 116.13 1ykp s SER 10 Ca 0.55 1.92 0.03 0.00 0.70 0.00 0.00 55.95 59.15 1ykp s SER 10 Cb -0.44 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.28 1ykp s SER 10 CO 0.54 -1.00 -0.09 -1.10 1.20 0.00 0.00 173.24 172.79 1ykp s GLN 11 N -3.59 0.85 0.66 5.44 -1.52 -1.23 -4.90 119.66 115.37 1ykp s GLN 11 Ca 0.66 -1.24 -0.17 0.00 -1.95 0.00 0.00 55.36 52.66 1ykp s GLN 11 Cb -0.17 -0.40 -0.01 0.00 -0.22 0.00 0.00 33.01 32.20 1ykp s GLN 11 CO 0.28 0.04 1.12 -2.37 -0.25 0.00 0.00 175.29 174.11 1ykp n THR 12 N 0.28 4.07 0.32 -0.19 5.66 -1.21 -4.79 114.28 118.41 1ykp n THR 12 Ca -0.14 -0.46 0.14 0.00 -3.05 0.00 0.00 64.05 60.53 1ykp n THR 12 Cb 0.59 -1.30 0.39 0.00 -1.55 0.00 0.00 70.33 68.46 1ykp n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykp h ALA 13 N 0.28 1.00 -0.43 1.79 0.00 -1.75 -3.49 119.26 116.65 1ykp h ALA 13 Ca -0.49 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1ykp h ALA 13 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1ykp h ALA 13 CO 0.51 0.00 -0.14 0.41 0.00 0.00 0.00 179.25 180.02 1ykp n GLY 14 N 0.72 -2.45 0.27 0.00 0.00 -1.26 -4.15 105.19 98.32 1ykp n GLY 14 Ca 0.03 -1.42 0.08 0.00 0.00 0.00 0.00 46.02 44.71 1ykp n GLY 14 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ykp h PRO 15 N -0.18 0.07 -0.84 1.61 0.11 -1.92 -2.86 132.00 128.00 1ykp h PRO 15 Ca -0.02 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.89 1ykp h PRO 15 Cb 0.17 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.15 1ykp h PRO 15 CO 0.01 0.05 0.25 0.66 -0.21 0.00 0.00 178.00 178.75 1ykp n TYR 16 N -4.52 1.96 0.20 0.65 4.01 -1.26 -4.46 117.16 113.73 1ykp n TYR 16 Ca -0.02 -1.03 0.18 0.00 -0.16 0.00 0.00 57.90 56.87 1ykp n TYR 16 Cb 0.11 -0.60 0.83 0.00 -0.31 0.00 0.00 39.34 39.37 1ykp n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykp h VAL 17 N 1.90 0.40 0.00 -0.72 3.04 -1.66 -0.85 116.25 118.36 1ykp h VAL 17 Ca 0.24 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.87 1ykp h VAL 17 Cb 2.02 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1ykp h VAL 17 CO 0.61 0.00 -0.29 0.45 -1.01 0.00 0.00 177.57 177.32 1ykp h HIS 18 N 0.00 0.00 0.00 3.17 3.86 -1.84 -1.79 115.15 118.55 1ykp h HIS 18 Ca 0.10 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 1ykp h HIS 18 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1ykp h HIS 18 CO 0.00 0.29 -0.36 -0.84 0.86 0.00 0.00 177.93 177.88 1ykp h ILE 19 N 0.00 1.21 0.00 2.45 3.07 -1.38 0.29 117.51 123.15 1ykp h ILE 19 Ca -0.00 -1.26 0.00 0.00 1.55 0.00 0.00 64.86 65.15 1ykp h ILE 19 Cb 0.65 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 1ykp h ILE 19 CO 0.04 0.35 -1.15 0.61 -1.05 0.00 0.00 178.15 176.95 1ykp n GLY 20 N -0.43 -0.41 0.00 0.16 0.00 -1.17 -4.65 105.19 98.70 1ykp n GLY 20 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ykp n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykp n LEU 21 N -1.66 0.00 -3.33 0.99 4.77 -0.68 -4.83 117.00 112.26 1ykp n LEU 21 Ca -0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1ykp n LEU 21 Cb 0.27 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1ykp n LEU 21 CO 0.26 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 176.03 1ykp n ALA 22 N -1.30 2.74 -0.04 -1.18 0.00 0.08 -4.96 120.51 115.85 1ykp n ALA 22 Ca 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 53.44 50.06 1ykp n ALA 22 Cb 0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1ykp n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykp h LEU 23 N 4.95 -0.27 0.01 0.00 4.07 -1.79 -2.72 115.31 119.55 1ykp h LEU 23 Ca 0.19 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.23 1ykp h LEU 23 Cb 0.89 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 1ykp h LEU 23 CO 0.43 -0.11 -0.20 -0.08 -1.08 0.00 0.00 178.44 177.40 1ykp h GLU 24 N -0.04 -0.25 -1.27 1.13 4.81 -1.88 -2.31 114.58 114.77 1ykp h GLU 24 Ca 0.11 0.02 0.46 0.00 -0.13 0.00 0.00 59.36 59.81 1ykp h GLU 24 Cb 0.21 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 29.50 1ykp h GLU 24 CO -0.24 -0.17 0.79 0.00 -0.73 0.00 0.00 179.01 178.66 1ykp n ALA 25 N -2.67 1.26 1.55 2.92 0.00 -1.20 0.30 120.51 122.68 1ykp n ALA 25 Ca -0.03 0.90 0.13 0.00 0.00 0.00 0.00 53.44 54.44 1ykp n ALA 25 Cb 0.15 -1.04 0.76 0.00 0.00 0.00 0.00 19.45 19.32 1ykp n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ykp n ALA 26 N -2.46 2.44 -2.83 0.00 0.00 -0.91 -4.87 120.51 111.88 1ykp n ALA 26 Ca 0.39 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 1ykp n ALA 26 Cb 1.48 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 19.52 1ykp n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykp n GLY 27 N 0.74 -0.38 3.65 0.00 0.00 0.88 -4.98 105.19 105.10 1ykp n GLY 27 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1ykp n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykp s ASN 28 N -2.65 4.60 0.29 1.61 0.01 -0.98 -5.03 114.94 112.79 1ykp s ASN 28 Ca 0.22 -0.62 -0.30 0.00 -0.71 0.00 0.00 52.86 51.45 1ykp s ASN 28 Cb -0.10 -0.88 -0.12 0.00 0.41 0.00 0.00 41.25 40.56 1ykp s ASN 28 CO 0.28 -0.00 1.55 -0.81 -1.51 0.00 0.00 177.10 176.61 1ykp n PRO 29 N -0.91 2.58 -2.44 -0.60 -0.04 -1.26 -4.14 135.00 128.18 1ykp n PRO 29 Ca -0.06 0.92 -0.23 0.00 -0.04 0.00 0.00 63.50 64.08 1ykp n PRO 29 Cb 0.59 -2.67 0.06 0.00 -0.04 0.00 0.00 33.50 31.44 1ykp n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ykp s THR 30 N -0.08 2.45 0.56 0.52 -4.23 -1.26 -4.87 115.64 108.73 1ykp s THR 30 Ca 0.64 -0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.74 1ykp s THR 30 Cb -0.52 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.42 1ykp s THR 30 CO 0.50 0.00 0.63 -0.13 -0.54 0.00 0.00 174.62 175.08 1ykp s ARG 31 N -5.01 2.29 0.16 3.99 0.52 -1.26 -5.02 118.95 114.63 1ykp s ARG 31 Ca 0.59 -1.79 -0.15 0.00 -0.52 0.00 0.00 55.73 53.87 1ykp s ARG 31 Cb -0.10 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 32.99 1ykp s ARG 31 CO 0.42 -0.75 1.80 -0.44 0.02 0.00 0.00 175.30 176.34 1ykp h ASP 32 N 0.42 0.39 -3.27 0.23 3.32 -2.07 -3.40 116.42 112.03 1ykp h ASP 32 Ca -0.33 0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.07 1ykp h ASP 32 Cb 1.29 -0.08 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 1ykp h ASP 32 CO 0.47 0.28 -0.79 -1.10 -1.72 0.00 0.00 179.24 176.38 1ykp s GLN 33 N -6.15 3.23 0.11 3.56 -0.21 -1.26 -5.14 119.66 113.80 1ykp s GLN 33 Ca -0.13 -0.73 0.09 0.00 0.02 0.00 0.00 55.36 54.61 1ykp s GLN 33 Cb 0.12 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1ykp s GLN 33 CO 0.72 -0.03 -0.23 -1.21 -2.12 0.00 0.00 175.29 172.42 1ykp s GLU 34 N 0.95 1.23 -0.41 2.91 0.41 -1.26 -5.10 118.70 117.43 1ykp s GLU 34 Ca -0.02 -1.20 -0.14 0.00 -0.41 0.00 0.00 54.97 53.19 1ykp s GLU 34 Cb -0.15 -1.56 0.03 0.00 -1.78 0.00 0.00 34.13 30.67 1ykp s GLU 34 CO -0.02 0.37 0.30 0.42 -0.49 0.00 0.00 175.26 175.83 1ykp s ILE 35 N -1.10 5.15 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.35 1ykp s ILE 35 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1ykp s ILE 35 Cb -0.10 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1ykp s ILE 35 CO 0.05 -0.33 0.00 1.87 0.00 0.00 0.00 174.94 176.53 1ykp n TRP 36 N 5.14 0.00 0.08 3.97 -0.00 -1.26 -4.66 117.44 120.71 1ykp n TRP 36 Ca -0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.50 1ykp n TRP 36 Cb 0.47 0.00 0.28 0.00 -0.00 0.00 0.00 31.31 32.05 1ykp n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykp n ASN 37 N 0.00 3.45 -4.20 5.87 6.94 -1.15 -2.27 115.26 123.91 1ykp n ASN 37 Ca 0.00 -1.98 -0.41 0.00 -0.02 0.00 0.00 54.58 52.17 1ykp n ASN 37 Cb 0.00 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 37.00 1ykp n ASN 37 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1ykp s ARG 38 N -1.27 3.16 0.16 -3.83 0.52 -1.26 -2.01 118.95 114.42 1ykp s ARG 38 Ca 0.42 -2.65 -0.11 0.00 -0.52 0.00 0.00 55.73 52.87 1ykp s ARG 38 Cb 0.23 -4.08 0.04 0.00 0.52 0.00 0.00 34.95 31.67 1ykp s ARG 38 CO 0.31 -1.23 1.62 -0.07 0.02 0.00 0.00 175.30 175.95 1ykp h LEU 39 N 7.15 0.95 -9.19 2.53 4.07 -1.66 -3.44 115.31 115.72 1ykp h LEU 39 Ca 0.07 -0.30 -0.61 0.00 0.08 0.00 0.00 57.88 57.12 1ykp h LEU 39 Cb 0.96 -0.25 -0.13 0.00 1.08 0.00 0.00 40.66 42.31 1ykp h LEU 39 CO 0.76 1.02 -0.51 0.00 -1.08 0.00 0.00 178.44 178.63 1ykp s ALA 40 N -5.03 3.61 0.45 1.53 0.00 -1.23 -1.58 121.76 119.50 1ykp s ALA 40 Ca -0.12 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1ykp s ALA 40 Cb 0.13 -2.14 -0.10 0.00 0.00 0.00 0.00 23.12 21.00 1ykp s ALA 40 CO 0.84 0.09 0.96 0.15 0.00 0.00 0.00 175.76 177.80 1ykp s LYS 41 N 0.51 4.15 0.57 0.00 1.02 0.24 -4.85 119.74 121.38 1ykp s LYS 41 Ca 0.07 1.13 0.47 0.00 0.02 0.00 0.00 55.97 57.66 1ykp s LYS 41 Cb -0.12 -2.16 1.60 0.00 -0.52 0.00 0.00 37.83 36.63 1ykp s LYS 41 CO -0.00 -0.10 1.52 -1.35 -0.92 0.00 0.00 175.35 174.50 1ykp h PRO 42 N 1.77 0.00 -0.85 -1.68 0.11 -2.00 -1.52 132.00 127.83 1ykp h PRO 42 Ca -0.49 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 1ykp h PRO 42 Cb 1.19 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.02 1ykp h PRO 42 CO 0.61 0.00 0.43 -0.40 -0.21 0.00 0.00 178.00 178.43 1ykp n ASP 43 N -3.81 5.05 -4.85 -2.05 5.75 -1.26 -4.96 116.55 110.42 1ykp n ASP 43 Ca 0.41 -3.73 -0.37 0.00 -0.01 0.00 0.00 54.79 51.10 1ykp n ASP 43 Cb 1.95 -0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 41.18 1ykp n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykp s ALA 44 N -3.52 3.72 0.28 2.12 0.00 -0.58 -5.00 121.76 118.79 1ykp s ALA 44 Ca 0.57 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1ykp s ALA 44 Cb 0.47 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 1ykp s ALA 44 CO 0.04 0.52 1.30 -1.25 0.00 0.00 0.00 175.76 176.37 1ykp s PRO 45 N -1.40 4.38 0.00 0.00 0.04 -1.26 -4.89 135.00 131.87 1ykp s PRO 45 Ca 0.27 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1ykp s PRO 45 Cb -0.15 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1ykp s PRO 45 CO 0.15 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1ykp n GLY 46 N 1.45 1.80 3.62 0.56 0.00 -1.26 -4.62 105.19 106.74 1ykp n GLY 46 Ca 0.02 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1ykp n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 47 N -1.49 3.91 0.09 1.61 2.12 -1.26 -4.95 118.70 118.73 1ykp s GLU 47 Ca 0.00 0.82 -0.31 0.00 0.36 0.00 0.00 54.97 55.84 1ykp s GLU 47 Cb 0.00 -3.81 -0.07 0.00 0.26 0.00 0.00 34.13 30.51 1ykp s GLU 47 CO 0.00 -1.09 1.37 -1.01 -0.54 0.00 0.00 175.26 174.00 1ykp s HIS 48 N 3.93 3.18 0.07 5.30 3.76 -1.26 -2.20 115.29 128.06 1ykp s HIS 48 Ca 0.45 0.96 0.04 0.00 -0.15 0.00 0.00 55.06 56.36 1ykp s HIS 48 Cb -0.10 -3.65 -0.03 0.00 1.11 0.00 0.00 32.58 29.90 1ykp s HIS 48 CO 0.22 -2.30 -0.11 0.96 -0.85 0.00 0.00 174.74 172.66 1ykp s ILE 49 N 1.35 0.90 -0.26 0.60 -4.36 -0.50 -4.60 121.20 114.32 1ykp s ILE 49 Ca 0.64 -1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 59.60 1ykp s ILE 49 Cb -0.35 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.31 1ykp s ILE 49 CO 0.30 -0.35 0.20 -0.22 0.24 0.00 0.00 174.94 175.10 1ykp s LEU 50 N -1.86 4.07 -0.06 0.37 2.96 -0.33 -1.29 118.68 122.53 1ykp s LEU 50 Ca -0.03 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1ykp s LEU 50 Cb -0.08 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1ykp s LEU 50 CO 0.01 -0.00 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.19 1ykp s LEU 51 N 1.41 3.05 -0.01 -0.68 1.43 0.67 -0.79 118.68 123.75 1ykp s LEU 51 Ca 0.08 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1ykp s LEU 51 Cb -0.15 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1ykp s LEU 51 CO 0.08 0.36 0.16 -1.48 0.23 0.00 0.00 176.35 175.69 1ykp s LEU 52 N -0.77 1.46 0.30 1.79 -0.00 -0.48 -1.65 118.68 119.33 1ykp s LEU 52 Ca 0.12 -0.08 -0.19 0.00 -0.00 0.00 0.00 54.13 53.97 1ykp s LEU 52 Cb -0.11 0.71 0.04 0.00 -0.00 0.00 0.00 46.19 46.83 1ykp s LEU 52 CO 0.01 -0.32 0.80 -0.83 -0.00 0.00 0.00 176.35 176.01 1ykp s GLY 53 N -1.11 0.09 0.33 -3.48 0.00 -1.06 0.47 107.32 102.57 1ykp s GLY 53 Ca -0.12 -0.44 0.08 0.00 0.00 0.00 0.00 44.72 44.24 1ykp s GLY 53 CO 0.02 0.05 -0.06 1.20 0.00 0.00 0.00 173.10 174.30 1ykp s GLN 54 N -3.06 1.73 -0.05 2.90 -0.21 -1.25 -1.41 119.66 118.31 1ykp s GLN 54 Ca 0.14 -1.91 0.04 0.00 0.02 0.00 0.00 55.36 53.65 1ykp s GLN 54 Cb -0.05 -1.46 -0.00 0.00 1.00 0.00 0.00 33.01 32.50 1ykp s GLN 54 CO 0.08 0.06 -0.18 0.08 -2.12 0.00 0.00 175.29 173.22 1ykp s VAL 55 N -2.80 1.50 0.00 1.09 1.01 -1.26 -1.10 120.40 118.85 1ykp s VAL 55 Ca 0.32 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1ykp s VAL 55 Cb 0.04 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ykp s VAL 55 CO 0.15 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.17 1ykp s TYR 56 N 0.16 2.52 0.87 5.22 1.51 0.83 -2.01 117.35 126.45 1ykp s TYR 56 Ca -0.07 -0.29 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 1ykp s TYR 56 Cb -0.13 -1.51 0.16 0.00 -0.11 0.00 0.00 41.96 40.37 1ykp s TYR 56 CO 0.03 0.15 1.21 0.16 -1.11 0.00 0.00 175.55 176.00 1ykp s ASP 57 N -1.04 3.66 0.28 2.29 1.47 0.36 -2.11 116.67 121.57 1ykp s ASP 57 Ca 0.12 0.19 0.11 0.00 1.18 0.00 0.00 52.55 54.16 1ykp s ASP 57 Cb -0.10 -0.40 0.62 0.00 -0.34 0.00 0.00 42.92 42.69 1ykp s ASP 57 CO 0.02 -2.37 1.23 0.61 0.68 0.00 0.00 175.17 175.34 1ykp n GLY 58 N -3.45 -0.58 0.76 2.12 0.00 -1.25 -0.57 105.19 102.22 1ykp n GLY 58 Ca 0.14 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1ykp n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykp n ASN 59 N -1.95 2.58 0.00 1.61 3.02 -1.26 -4.74 115.26 114.52 1ykp n ASN 59 Ca -0.01 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1ykp n ASN 59 Cb 0.30 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1ykp n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykp n GLY 60 N 1.34 0.37 3.84 7.41 0.00 0.27 -5.04 105.19 113.38 1ykp n GLY 60 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1ykp n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykp s HIS 61 N -2.13 3.42 0.44 1.61 3.76 -1.26 -4.60 115.29 116.53 1ykp s HIS 61 Ca 0.00 1.26 -0.24 0.00 -0.15 0.00 0.00 55.06 55.93 1ykp s HIS 61 Cb 0.00 -2.56 -0.08 0.00 1.11 0.00 0.00 32.58 31.05 1ykp s HIS 61 CO 0.00 0.14 1.16 -0.51 -0.85 0.00 0.00 174.74 174.68 1ykp s LEU 62 N -2.79 4.08 -0.33 0.89 1.43 -1.26 0.13 118.68 120.83 1ykp s LEU 62 Ca 0.52 2.30 -0.10 0.00 -1.03 0.00 0.00 54.13 55.82 1ykp s LEU 62 Cb -0.11 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1ykp s LEU 62 CO 0.18 -0.81 0.17 -0.69 0.23 0.00 0.00 176.35 175.43 1ykp s VAL 63 N -1.51 4.61 -0.87 -1.59 1.01 -0.85 -4.77 120.40 116.42 1ykp s VAL 63 Ca 0.61 -0.55 0.16 0.00 0.00 0.00 0.00 61.98 62.21 1ykp s VAL 63 Cb -0.29 -3.41 0.61 0.00 0.00 0.00 0.00 36.38 33.28 1ykp s VAL 63 CO 0.36 -0.02 1.52 0.54 0.00 0.00 0.00 175.10 177.49 1ykp n ARG 64 N 4.99 3.45 -1.13 2.72 1.74 -1.26 -4.38 116.66 122.79 1ykp n ARG 64 Ca -0.13 -2.73 0.03 0.00 -0.77 0.00 0.00 57.85 54.25 1ykp n ARG 64 Cb 0.48 -1.78 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1ykp n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykp n ASP 65 N 0.67 0.84 -4.87 0.55 5.68 -1.25 -3.41 116.55 114.75 1ykp n ASP 65 Ca 0.22 -2.18 -0.32 0.00 -0.50 0.00 0.00 54.79 52.01 1ykp n ASP 65 Cb 0.81 -0.30 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 1ykp n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykp s SER 66 N -1.86 6.66 -0.01 -1.12 1.04 -1.24 -4.28 113.70 112.88 1ykp s SER 66 Ca 0.26 0.94 0.03 0.00 0.48 0.00 0.00 55.95 57.66 1ykp s SER 66 Cb 0.29 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 1ykp s SER 66 CO -0.11 -0.04 -0.10 0.12 0.98 0.00 0.00 173.24 174.08 1ykp s PHE 67 N -1.76 0.96 0.06 5.02 5.36 0.47 -2.73 117.98 125.36 1ykp s PHE 67 Ca 0.46 -0.20 0.06 0.00 -0.96 0.00 0.00 56.93 56.29 1ykp s PHE 67 Cb -0.12 -0.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.90 1ykp s PHE 67 CO 0.21 -0.04 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.26 1ykp s LEU 68 N -0.14 2.23 -0.03 6.12 1.02 0.09 -1.40 118.68 126.58 1ykp s LEU 68 Ca 0.02 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.65 1ykp s LEU 68 Cb -0.05 -0.63 -0.00 0.00 0.02 0.00 0.00 46.19 45.53 1ykp s LEU 68 CO -0.00 0.00 -0.12 -1.61 0.02 0.00 0.00 176.35 174.64 1ykp s GLU 69 N -1.48 1.27 0.11 1.70 2.02 -0.25 -1.83 118.70 120.25 1ykp s GLU 69 Ca 0.01 -0.43 0.09 0.00 0.02 0.00 0.00 54.97 54.66 1ykp s GLU 69 Cb -0.09 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.95 1ykp s GLU 69 CO 0.02 0.18 -0.23 0.14 0.02 0.00 0.00 175.26 175.39 1ykp s VAL 70 N 0.08 1.92 -0.02 2.63 -7.23 -0.22 -0.50 120.40 117.06 1ykp s VAL 70 Ca -0.02 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1ykp s VAL 70 Cb -0.09 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.14 1ykp s VAL 70 CO 0.01 -0.01 0.01 0.86 -0.31 0.00 0.00 175.10 175.66 1ykp s TRP 71 N -1.14 0.20 0.00 2.82 -0.11 0.14 -2.94 118.94 117.91 1ykp s TRP 71 Ca 0.10 0.04 -0.12 0.00 1.22 0.00 0.00 56.10 57.34 1ykp s TRP 71 Cb -0.10 -0.32 0.01 0.00 -1.50 0.00 0.00 33.47 31.56 1ykp s TRP 71 CO 0.05 -0.10 0.24 1.14 -4.62 0.00 0.00 176.95 173.66 1ykp s GLN 72 N 0.95 0.63 0.53 5.86 -2.07 0.12 -0.52 119.66 125.17 1ykp s GLN 72 Ca -0.09 -0.35 -0.19 0.00 -1.82 0.00 0.00 55.36 52.91 1ykp s GLN 72 Cb -0.12 0.27 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 1ykp s GLN 72 CO -0.02 -0.17 1.10 0.00 -1.32 0.00 0.00 175.29 174.88 1ykp s ALA 73 N -1.64 2.74 1.00 2.60 0.00 -1.26 -4.58 121.76 120.61 1ykp s ALA 73 Ca -0.12 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1ykp s ALA 73 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ykp s ALA 73 CO 0.02 -0.66 0.00 -0.40 0.00 0.00 0.00 175.76 174.71 1ykp n ASP 74 N -1.26 -0.48 0.17 0.00 5.68 0.21 -4.45 116.55 116.42 1ykp n ASP 74 Ca 0.11 -0.14 0.13 0.00 -0.50 0.00 0.00 54.79 54.39 1ykp n ASP 74 Cb 0.51 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.96 1ykp n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykp h ALA 75 N -2.00 1.00 -0.02 2.12 0.00 -1.82 -0.81 119.26 117.73 1ykp h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ykp h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ykp h ALA 75 CO 0.00 0.00 -0.05 0.09 0.00 0.00 0.00 179.25 179.29 1ykp n ASN 76 N -2.55 1.83 0.00 0.00 3.02 -1.26 -3.68 115.26 112.62 1ykp n ASN 76 Ca 0.03 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1ykp n ASN 76 Cb 0.35 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1ykp n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykp n GLY 77 N 1.25 0.58 3.49 7.41 0.00 -0.69 -4.75 105.19 112.47 1ykp n GLY 77 Ca 0.17 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1ykp n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykp s GLU 78 N -2.82 2.05 -0.25 1.61 2.02 -1.26 -4.63 118.70 115.42 1ykp s GLU 78 Ca 0.00 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 53.87 1ykp s GLU 78 Cb 0.00 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 1ykp s GLU 78 CO 0.00 0.53 0.19 0.71 0.02 0.00 0.00 175.26 176.71 1ykp s TYR 79 N -1.00 3.29 -0.46 1.61 1.51 -1.26 0.65 117.35 121.69 1ykp s TYR 79 Ca 0.16 0.23 -0.15 0.00 -1.01 0.00 0.00 57.07 56.30 1ykp s TYR 79 Cb -0.11 -2.32 0.07 0.00 -0.11 0.00 0.00 41.96 39.49 1ykp s TYR 79 CO 0.07 -0.00 0.38 -0.65 -1.11 0.00 0.00 175.55 174.24 1ykp s GLN 80 N 1.28 2.97 0.07 -0.62 -1.52 -1.26 -4.95 119.66 115.62 1ykp s GLN 80 Ca 0.08 -1.30 -0.03 0.00 -1.95 0.00 0.00 55.36 52.15 1ykp s GLN 80 Cb -0.14 -4.10 -0.28 0.00 -0.22 0.00 0.00 33.01 28.27 1ykp s GLN 80 CO 0.06 -0.99 1.12 0.38 -0.25 0.00 0.00 175.29 175.62 1ykp h ASP 81 N 8.73 0.39 -0.76 5.90 2.03 -1.98 -3.23 116.42 127.50 1ykp h ASP 81 Ca -0.28 -0.43 -0.19 0.00 -0.73 0.00 0.00 57.03 55.40 1ykp h ASP 81 Cb 1.11 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 1ykp h ASP 81 CO 0.85 1.34 0.55 0.00 -1.03 0.00 0.00 179.24 180.96 1ykp s ALA 82 N -2.65 1.19 0.13 4.15 0.00 -1.26 -4.94 121.76 118.36 1ykp s ALA 82 Ca -0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1ykp s ALA 82 Cb 0.07 -4.52 -0.06 0.00 0.00 0.00 0.00 23.12 18.61 1ykp s ALA 82 CO 0.88 -5.27 1.06 -0.47 0.00 0.00 0.00 175.76 171.95 1ykp s TYR 83 N 12.80 3.65 -0.28 0.00 5.04 -1.26 -4.96 117.35 132.34 1ykp s TYR 83 Ca 0.86 1.64 -0.17 0.00 -2.44 0.00 0.00 57.07 56.96 1ykp s TYR 83 Cb -0.12 -3.21 0.08 0.00 0.35 0.00 0.00 41.96 39.07 1ykp s TYR 83 CO 0.09 -0.37 0.72 1.21 -1.34 0.00 0.00 175.55 175.86 1ykp s ASN 84 N 0.16 -0.89 0.40 4.32 3.84 -1.26 -5.03 114.94 116.47 1ykp s ASN 84 Ca 0.50 1.45 0.28 0.00 0.21 0.00 0.00 52.86 55.30 1ykp s ASN 84 Cb -0.27 1.38 1.36 0.00 -0.55 0.00 0.00 41.25 43.17 1ykp s ASN 84 CO 0.32 -0.23 1.85 -0.07 -2.79 0.00 0.00 177.10 176.18 1ykp h LEU 85 N 6.75 0.00 -0.80 3.21 3.38 -1.96 -2.43 115.31 123.46 1ykp h LEU 85 Ca -0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1ykp h LEU 85 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1ykp h LEU 85 CO 0.15 0.00 -0.51 -0.33 0.09 0.00 0.00 178.44 177.84 1ykp h GLU 86 N 0.00 0.00 -7.02 1.13 5.08 -2.00 -3.45 114.58 108.33 1ykp h GLU 86 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1ykp h GLU 86 Cb 0.20 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.54 1ykp h GLU 86 CO 0.00 0.51 0.54 -0.80 -1.00 0.00 0.00 179.01 178.27 1ykp s ASN 87 N -6.65 5.80 0.19 1.42 0.01 -0.92 -4.93 114.94 109.86 1ykp s ASN 87 Ca -0.00 2.52 -0.13 0.00 -0.71 0.00 0.00 52.86 54.53 1ykp s ASN 87 Cb 0.12 -2.62 0.11 0.00 0.41 0.00 0.00 41.25 39.27 1ykp s ASN 87 CO 0.73 -1.18 1.84 0.00 -1.51 0.00 0.00 177.10 176.97 1ykp h ALA 88 N 1.84 0.75 -4.23 0.60 0.00 -1.89 -3.44 119.26 112.90 1ykp h ALA 88 Ca -0.50 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 1ykp h ALA 88 Cb 1.27 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.55 1ykp h ALA 88 CO 0.59 0.14 -0.84 0.12 0.00 0.00 0.00 179.25 179.26 1ykp s PHE 89 N -6.14 1.75 -0.05 0.00 5.36 -1.26 0.83 117.98 118.47 1ykp s PHE 89 Ca -0.13 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.48 1ykp s PHE 89 Cb 0.13 -1.14 0.01 0.00 -0.34 0.00 0.00 43.02 41.68 1ykp s PHE 89 CO 0.75 -0.08 -0.13 -0.80 -1.46 0.00 0.00 175.22 173.51 1ykp s ASN 90 N -0.30 1.75 0.00 6.13 0.01 -0.62 -4.96 114.94 116.95 1ykp s ASN 90 Ca 0.04 -0.29 0.15 0.00 -0.71 0.00 0.00 52.86 52.05 1ykp s ASN 90 Cb -0.09 -0.69 0.72 0.00 0.41 0.00 0.00 41.25 41.61 1ykp s ASN 90 CO 0.00 0.06 1.44 -1.20 -1.51 0.00 0.00 177.10 175.89 1ykp n SER 91 N 3.59 0.00 -4.31 -1.22 7.64 -1.22 -4.75 113.62 113.35 1ykp n SER 91 Ca -0.21 0.21 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1ykp n SER 91 Cb 0.52 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.23 1ykp n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykp s PHE 92 N -2.71 2.08 0.27 1.43 5.36 -1.26 -0.70 117.98 122.44 1ykp s PHE 92 Ca 0.12 -0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 55.49 1ykp s PHE 92 Cb 0.10 -1.20 0.04 0.00 -0.34 0.00 0.00 43.02 41.62 1ykp s PHE 92 CO 0.24 0.16 0.81 0.20 -1.46 0.00 0.00 175.22 175.18 1ykp s GLY 93 N -1.46 -0.01 0.08 13.12 0.00 -1.15 -4.82 107.32 113.08 1ykp s GLY 93 Ca 0.10 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.52 1ykp s GLY 93 CO 0.03 0.07 -0.07 0.50 0.00 0.00 0.00 173.10 173.63 1ykp s ARG 94 N -3.30 0.73 0.38 2.90 1.81 -0.96 -1.06 118.95 119.46 1ykp s ARG 94 Ca 0.13 -1.15 -0.13 0.00 -1.72 0.00 0.00 55.73 52.86 1ykp s ARG 94 Cb -0.05 -0.20 0.05 0.00 -0.45 0.00 0.00 34.95 34.30 1ykp s ARG 94 CO 0.07 -0.00 0.74 -0.08 -0.68 0.00 0.00 175.30 175.34 1ykp s THR 95 N -2.98 0.00 -0.03 0.02 -1.32 -0.76 -2.91 115.64 107.67 1ykp s THR 95 Ca 0.05 -1.11 -0.29 0.00 -1.21 0.00 0.00 61.69 59.14 1ykp s THR 95 Cb 0.01 -2.87 0.10 0.00 -1.51 0.00 0.00 72.50 68.23 1ykp s THR 95 CO -0.04 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.24 1ykp s ALA 96 N -2.37 -1.82 0.03 11.08 0.00 -1.26 -0.73 121.76 126.69 1ykp s ALA 96 Ca 0.18 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1ykp s ALA 96 Cb -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1ykp s ALA 96 CO 0.13 -0.58 -0.03 0.95 0.00 0.00 0.00 175.76 176.22 1ykp s THR 97 N -2.57 3.86 0.30 0.00 -4.23 -1.10 -4.23 115.64 107.67 1ykp s THR 97 Ca 0.02 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1ykp s THR 97 Cb -0.01 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1ykp s THR 97 CO -0.05 0.30 0.17 0.42 -0.54 0.00 0.00 174.62 174.92 1ykp s THR 98 N -1.11 0.28 0.37 3.99 -4.23 0.46 -3.67 115.64 111.73 1ykp s THR 98 Ca 0.20 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1ykp s THR 98 Cb -0.11 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.50 1ykp s THR 98 CO 0.11 0.00 2.00 -0.26 -0.54 0.00 0.00 174.62 175.93 1ykp h PHE 99 N 2.22 0.71 0.57 3.99 0.04 -1.95 -3.09 116.94 119.42 1ykp h PHE 99 Ca -0.33 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 1ykp h PHE 99 Cb 1.25 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 39.17 1ykp h PHE 99 CO 1.08 0.42 -0.27 -0.44 -0.60 0.00 0.00 178.31 178.49 1ykp h ASP 100 N 0.74 -0.64 -2.90 2.17 3.32 -1.97 -3.39 116.42 113.74 1ykp h ASP 100 Ca 0.25 0.02 -0.75 0.00 0.02 0.00 0.00 57.03 56.58 1ykp h ASP 100 Cb 0.08 0.17 -0.22 0.00 0.22 0.00 0.00 39.33 39.58 1ykp h ASP 100 CO -0.07 -0.29 0.72 0.00 -1.72 0.00 0.00 179.24 177.88 1ykp s ALA 101 N -4.51 3.95 0.62 3.45 0.00 -1.17 -4.94 121.76 119.16 1ykp s ALA 101 Ca -0.11 -3.25 0.34 0.00 0.00 0.00 0.00 51.96 48.94 1ykp s ALA 101 Cb 0.01 -3.85 1.94 0.00 0.00 0.00 0.00 23.12 21.22 1ykp s ALA 101 CO 0.33 -2.62 2.23 0.78 0.00 0.00 0.00 175.76 176.48 1ykp h GLY 102 N 8.92 0.00 -3.99 0.00 0.00 -1.77 1.33 103.07 107.56 1ykp h GLY 102 Ca 0.19 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.92 1ykp h GLY 102 CO 1.04 0.00 -0.60 -0.54 0.00 0.00 0.00 176.54 176.44 1ykp s GLU 103 N -4.46 2.78 0.38 4.80 2.02 -1.26 -4.64 118.70 118.33 1ykp s GLU 103 Ca -0.05 -0.87 0.08 0.00 0.02 0.00 0.00 54.97 54.15 1ykp s GLU 103 Cb 0.14 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.71 1ykp s GLU 103 CO 0.49 0.50 0.08 1.67 0.02 0.00 0.00 175.26 178.02 1ykp s TRP 104 N -1.63 2.56 0.09 1.61 1.48 -0.50 -4.61 118.94 117.94 1ykp s TRP 104 Ca 0.29 -0.55 -0.11 0.00 -1.06 0.00 0.00 56.10 54.67 1ykp s TRP 104 Cb -0.11 -1.74 0.01 0.00 -1.16 0.00 0.00 33.47 30.47 1ykp s TRP 104 CO 0.22 0.36 0.25 0.95 -4.06 0.00 0.00 176.95 174.67 1ykp s THR 105 N -2.60 0.12 -0.17 0.66 -4.23 -1.26 -2.56 115.64 105.61 1ykp s THR 105 Ca 0.37 -0.96 -0.10 0.00 -1.18 0.00 0.00 61.69 59.82 1ykp s THR 105 Cb 0.04 -1.23 0.06 0.00 1.34 0.00 0.00 72.50 72.71 1ykp s THR 105 CO 0.20 -0.53 0.41 -0.22 -0.54 0.00 0.00 174.62 173.94 1ykp s LEU 106 N -2.71 -0.04 -0.33 4.79 2.96 -0.66 -4.83 118.68 117.87 1ykp s LEU 106 Ca 0.03 0.89 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 1ykp s LEU 106 Cb 0.03 1.36 0.01 0.00 0.50 0.00 0.00 46.19 48.08 1ykp s LEU 106 CO -0.10 -0.19 0.17 -1.00 -1.32 0.00 0.00 176.35 173.91 1ykp s HIS 107 N 1.27 3.20 0.00 5.38 3.76 -0.85 -0.24 115.29 127.81 1ykp s HIS 107 Ca -0.09 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 1ykp s HIS 107 Cb -0.08 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.23 1ykp s HIS 107 CO -0.11 -0.54 0.00 -2.37 -0.85 0.00 0.00 174.74 170.87 1ykp n THR 108 N 4.98 0.00 -4.36 1.30 5.66 -0.41 -1.90 114.28 119.55 1ykp n THR 108 Ca -0.13 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.60 1ykp n THR 108 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 1ykp n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykp s VAL 109 N -1.53 2.75 0.12 1.08 -7.23 -1.26 -1.41 120.40 112.91 1ykp s VAL 109 Ca 0.00 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 1ykp s VAL 109 Cb 0.00 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 1ykp s VAL 109 CO 0.00 -0.12 1.26 -0.75 -0.31 0.00 0.00 175.10 175.19 1ykp s LYS 110 N -2.75 4.41 0.37 4.82 2.20 -0.94 -4.89 119.74 122.97 1ykp s LYS 110 Ca 0.23 1.91 -0.27 0.00 -0.36 0.00 0.00 55.97 57.47 1ykp s LYS 110 Cb -0.08 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 1ykp s LYS 110 CO 0.12 -0.27 1.28 -1.25 -0.36 0.00 0.00 175.35 174.88 1ykp s PRO 111 N 0.65 4.17 0.82 4.03 0.04 -1.26 -4.17 135.00 139.28 1ykp s PRO 111 Ca 0.59 2.13 -0.10 0.00 0.04 0.00 0.00 61.00 63.65 1ykp s PRO 111 Cb -0.33 -2.89 0.13 0.00 0.04 0.00 0.00 34.50 31.44 1ykp s PRO 111 CO 0.32 -0.32 1.16 0.20 0.04 0.00 0.00 177.00 178.40 1ykp s GLY 112 N -0.69 1.72 0.22 0.56 0.00 -0.40 -4.78 107.32 103.95 1ykp s GLY 112 Ca 0.53 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 1ykp s GLY 112 CO 0.49 -0.52 1.36 0.14 0.00 0.00 0.00 173.10 174.57 1ykp s VAL 113 N -3.53 2.99 -0.02 1.40 1.01 -1.26 -4.28 120.40 116.71 1ykp s VAL 113 Ca 0.67 0.83 0.07 0.00 0.00 0.00 0.00 61.98 63.54 1ykp s VAL 113 Cb -0.07 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1ykp s VAL 113 CO 0.48 0.13 -0.23 0.68 0.00 0.00 0.00 175.10 176.16 1ykp s VAL 114 N 0.04 1.82 0.36 2.92 -7.23 -1.26 -4.38 120.40 112.67 1ykp s VAL 114 Ca 0.57 -0.98 -0.24 0.00 -1.81 0.00 0.00 61.98 59.52 1ykp s VAL 114 Cb -0.39 -1.52 -0.10 0.00 0.56 0.00 0.00 36.38 34.94 1ykp s VAL 114 CO 0.40 0.52 0.95 0.20 -0.31 0.00 0.00 175.10 176.86 1ykp s ASN 115 N -0.50 7.16 1.15 4.85 0.01 -1.26 -1.22 114.94 125.12 1ykp s ASN 115 Ca 0.08 1.81 -0.19 0.00 -0.71 0.00 0.00 52.86 53.84 1ykp s ASN 115 Cb -0.09 -2.57 0.27 0.00 0.41 0.00 0.00 41.25 39.27 1ykp s ASN 115 CO -0.01 -0.20 1.20 -0.46 -1.51 0.00 0.00 177.10 176.12 1ykp n ASN 116 N 0.12 -1.18 0.25 -1.22 6.94 0.25 -4.87 115.26 115.55 1ykp n ASN 116 Ca 0.04 -1.30 0.10 0.00 -0.02 0.00 0.00 54.58 53.40 1ykp n ASN 116 Cb 0.51 -1.01 0.65 0.00 -2.36 0.00 0.00 39.78 37.57 1ykp n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykp h ALA 117 N -2.35 1.42 -0.08 -2.53 0.00 -1.98 -2.22 119.26 111.52 1ykp h ALA 117 Ca -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ykp h ALA 117 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ykp h ALA 117 CO 0.28 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1ykp n ALA 118 N -2.36 2.56 -0.80 0.00 0.00 -1.26 -4.91 120.51 113.74 1ykp n ALA 118 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ykp n ALA 118 Cb 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ykp n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykp n GLY 119 N 0.90 0.58 3.82 0.00 0.00 -0.83 -5.05 105.19 104.61 1ykp n GLY 119 Ca 0.14 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ykp n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykp s VAL 120 N -2.00 5.47 0.19 1.61 1.01 -1.26 -4.79 120.40 120.63 1ykp s VAL 120 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 1ykp s VAL 120 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1ykp s VAL 120 CO 0.00 0.55 1.47 -2.16 0.00 0.00 0.00 175.10 174.96 1ykp s PRO 121 N -0.46 4.26 0.32 2.72 0.04 -1.26 -0.59 135.00 140.04 1ykp s PRO 121 Ca 0.12 2.27 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 1ykp s PRO 121 Cb -0.12 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1ykp s PRO 121 CO 0.02 -0.48 0.59 -1.64 0.04 0.00 0.00 177.00 175.52 1ykp s MET 122 N 0.45 3.62 0.82 4.56 -1.94 -0.36 -4.42 119.30 122.03 1ykp s MET 122 Ca 0.64 0.03 -0.12 0.00 -1.71 0.00 0.00 55.69 54.53 1ykp s MET 122 Cb -0.41 -2.61 0.08 0.00 2.01 0.00 0.00 34.83 33.90 1ykp s MET 122 CO 0.36 0.16 1.10 0.00 -0.01 0.00 0.00 175.02 176.63 1ykp s ALA 123 N -2.18 2.09 0.33 3.03 0.00 -1.26 -4.23 121.76 119.54 1ykp s ALA 123 Ca 0.44 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1ykp s ALA 123 Cb -0.10 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 1ykp s ALA 123 CO 0.32 -1.88 1.51 -2.30 0.00 0.00 0.00 175.76 173.41 1ykp n PRO 124 N -3.54 2.61 -3.74 0.00 -0.02 -1.26 -4.87 135.00 124.18 1ykp n PRO 124 Ca 0.07 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.37 1ykp n PRO 124 Cb 0.56 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1ykp n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykp s HIS 125 N -0.59 -0.05 -0.05 6.00 -3.43 -1.26 -4.37 115.29 111.53 1ykp s HIS 125 Ca 0.59 -0.29 0.06 0.00 -0.80 0.00 0.00 55.06 54.61 1ykp s HIS 125 Cb -0.50 0.24 -0.02 0.00 -1.43 0.00 0.00 32.58 30.87 1ykp s HIS 125 CO 0.56 -0.78 -0.22 0.42 -2.00 0.00 0.00 174.74 172.73 1ykp s ILE 126 N -3.86 2.34 -0.18 -5.38 1.01 -0.56 -4.67 121.20 109.89 1ykp s ILE 126 Ca 0.08 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 1ykp s ILE 126 Cb 0.01 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1ykp s ILE 126 CO -0.06 0.57 0.41 0.20 0.00 0.00 0.00 174.94 176.06 1ykp s ASN 127 N -0.34 6.49 -0.06 3.58 0.01 0.32 -1.62 114.94 123.32 1ykp s ASN 127 Ca 0.02 0.57 0.04 0.00 -0.71 0.00 0.00 52.86 52.79 1ykp s ASN 127 Cb -0.12 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 1ykp s ASN 127 CO 0.02 -0.05 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.76 1ykp s ILE 128 N 1.13 2.79 -0.10 0.60 1.01 -0.69 0.25 121.20 126.19 1ykp s ILE 128 Ca 0.20 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1ykp s ILE 128 Cb -0.15 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1ykp s ILE 128 CO 0.08 0.58 -0.13 -0.44 0.00 0.00 0.00 174.94 175.02 1ykp s SER 129 N -0.52 2.22 -0.15 3.58 0.01 0.34 -0.37 113.70 118.81 1ykp s SER 129 Ca 0.07 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1ykp s SER 129 Cb -0.11 -0.98 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 1ykp s SER 129 CO 0.01 0.00 -0.08 -0.22 0.41 0.00 0.00 173.24 173.36 1ykp s LEU 130 N 0.99 2.93 0.03 2.44 2.96 0.30 -1.09 118.68 127.25 1ykp s LEU 130 Ca -0.07 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1ykp s LEU 130 Cb -0.15 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1ykp s LEU 130 CO -0.01 0.13 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.62 1ykp s PHE 131 N 0.55 1.50 0.03 5.38 0.40 -0.49 -2.17 117.98 123.18 1ykp s PHE 131 Ca -0.06 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.64 1ykp s PHE 131 Cb -0.15 -0.91 0.10 0.00 0.51 0.00 0.00 43.02 42.58 1ykp s PHE 131 CO 0.03 0.05 1.16 0.00 0.70 0.00 0.00 175.22 177.16 1ykp s ALA 132 N -0.73 -2.02 0.35 5.36 0.00 -1.26 -0.40 121.76 123.06 1ykp s ALA 132 Ca 0.05 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1ykp s ALA 132 Cb -0.08 0.43 -0.11 0.00 0.00 0.00 0.00 23.12 23.37 1ykp s ALA 132 CO 0.01 -1.02 1.40 -0.98 0.00 0.00 0.00 175.76 175.17 1ykp s ARG 133 N -2.74 4.23 0.00 0.00 1.70 -1.26 -1.86 118.95 119.02 1ykp s ARG 133 Ca 0.13 2.40 0.00 0.00 -0.47 0.00 0.00 55.73 57.79 1ykp s ARG 133 Cb 0.02 -3.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 1ykp s ARG 133 CO -0.02 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 1ykp n GLY 134 N 0.65 0.99 3.43 3.88 0.00 -1.26 -4.95 105.19 107.93 1ykp n GLY 134 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1ykp n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykp s ILE 135 N -2.36 4.72 0.03 -0.61 1.01 -0.78 -4.98 121.20 118.24 1ykp s ILE 135 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.14 1ykp s ILE 135 Cb 0.00 -3.51 -0.23 0.00 0.01 0.00 0.00 42.46 38.73 1ykp s ILE 135 CO 0.00 -0.08 0.96 0.78 0.00 0.00 0.00 174.94 176.60 1ykp h ASN 136 N 8.42 0.07 -4.44 3.58 2.35 -1.90 -3.34 115.58 120.31 1ykp h ASN 136 Ca -0.29 -0.10 -0.25 0.00 -0.55 0.00 0.00 56.30 55.10 1ykp h ASN 136 Cb 1.13 -0.02 -0.24 0.00 0.05 0.00 0.00 38.32 39.24 1ykp h ASN 136 CO 0.65 1.09 -0.73 -0.51 -1.65 0.00 0.00 177.43 176.27 1ykp s ILE 137 N -2.65 0.31 0.73 2.81 2.07 -1.26 -3.34 121.20 119.87 1ykp s ILE 137 Ca -0.03 -0.65 -0.13 0.00 -1.41 0.00 0.00 60.65 58.43 1ykp s ILE 137 Cb 0.09 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.36 1ykp s ILE 137 CO 0.83 -0.23 1.12 -1.38 -1.91 0.00 0.00 174.94 173.36 1ykp s HIS 138 N -0.87 2.44 -0.11 3.50 -3.43 -1.26 -5.03 115.29 110.53 1ykp s HIS 138 Ca -0.07 1.58 -0.02 0.00 -0.80 0.00 0.00 55.06 55.75 1ykp s HIS 138 Cb -0.06 -3.18 -0.03 0.00 -1.43 0.00 0.00 32.58 27.87 1ykp s HIS 138 CO -0.00 -1.94 -0.03 -0.51 -2.00 0.00 0.00 174.74 170.26 1ykp s LEU 139 N -5.42 3.39 -0.15 5.38 1.43 -0.92 -4.87 118.68 117.51 1ykp s LEU 139 Ca 0.66 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.72 1ykp s LEU 139 Cb -0.21 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1ykp s LEU 139 CO 0.48 0.30 0.04 -1.00 0.23 0.00 0.00 176.35 176.41 1ykp s HIS 140 N -0.44 3.23 0.33 0.29 3.76 -1.26 0.11 115.29 121.32 1ykp s HIS 140 Ca 0.07 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1ykp s HIS 140 Cb -0.12 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 1ykp s HIS 140 CO 0.02 0.24 0.40 -0.08 -0.85 0.00 0.00 174.74 174.48 1ykp s THR 141 N -0.01 0.00 -0.01 1.30 -1.32 0.50 -0.53 115.64 115.57 1ykp s THR 141 Ca 0.05 -1.73 0.04 0.00 -1.21 0.00 0.00 61.69 58.84 1ykp s THR 141 Cb -0.12 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.27 1ykp s THR 141 CO 0.01 0.00 -0.14 -0.13 -2.21 0.00 0.00 174.62 172.16 1ykp s ARG 142 N -3.24 1.11 -0.22 7.08 0.52 -1.26 -1.70 118.95 121.23 1ykp s ARG 142 Ca 0.34 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 54.95 1ykp s ARG 142 Cb 0.01 -1.07 -0.05 0.00 0.52 0.00 0.00 34.95 34.36 1ykp s ARG 142 CO 0.22 0.29 0.18 -1.17 0.02 0.00 0.00 175.30 174.84 1ykp s LEU 143 N -0.31 4.16 0.45 2.53 0.20 -0.64 -4.72 118.68 120.35 1ykp s LEU 143 Ca 0.05 0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.13 1ykp s LEU 143 Cb -0.05 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1ykp s LEU 143 CO -0.00 0.09 0.06 -0.31 -0.29 0.00 0.00 176.35 175.89 1ykp s TYR 144 N 0.83 2.25 -0.07 5.38 1.51 0.40 -1.50 117.35 126.16 1ykp s TYR 144 Ca 0.09 -0.77 0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1ykp s TYR 144 Cb -0.13 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1ykp s TYR 144 CO 0.03 0.27 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.48 1ykp s PHE 145 N -2.76 2.57 -0.09 2.71 0.40 -1.26 0.13 117.98 119.69 1ykp s PHE 145 Ca 0.26 -0.53 0.27 0.00 -0.60 0.00 0.00 56.93 56.32 1ykp s PHE 145 Cb 0.05 -1.65 0.84 0.00 0.51 0.00 0.00 43.02 42.78 1ykp s PHE 145 CO 0.14 -0.09 1.79 0.38 0.70 0.00 0.00 175.22 178.13 1ykp h ASP 146 N 5.94 0.00 -0.17 1.36 2.03 -1.76 -2.58 116.42 121.24 1ykp h ASP 146 Ca -0.35 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.92 1ykp h ASP 146 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.66 1ykp h ASP 146 CO 0.50 0.08 0.03 -0.90 -1.03 0.00 0.00 179.24 177.92 1ykp n ASP 147 N -3.16 2.43 -2.00 4.15 5.68 -1.26 -4.04 116.55 118.35 1ykp n ASP 147 Ca 0.02 -2.28 -0.03 0.00 -0.50 0.00 0.00 54.79 52.00 1ykp n ASP 147 Cb 0.44 -0.56 0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1ykp n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ykp n GLU 148 N 0.15 1.69 -0.34 0.11 -0.58 -0.97 -4.83 120.64 115.86 1ykp n GLU 148 Ca 0.09 -3.24 0.25 0.00 -0.42 0.00 0.00 57.16 53.83 1ykp n GLU 148 Cb 0.56 -1.35 0.49 0.00 -0.57 0.00 0.00 31.44 30.56 1ykp n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykp h ALA 149 N 1.87 2.02 0.02 0.62 0.00 -1.76 0.39 119.26 122.43 1ykp h ALA 149 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ykp h ALA 149 Cb 1.45 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ykp h ALA 149 CO 0.26 -0.63 -0.01 1.96 0.00 0.00 0.00 179.25 180.84 1ykp h GLN 150 N 0.31 -0.03 -0.63 0.00 4.20 -1.94 -2.16 115.11 114.86 1ykp h GLN 150 Ca 0.73 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.35 1ykp h GLN 150 Cb 1.72 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.49 1ykp h GLN 150 CO -0.58 0.47 0.03 0.00 -0.67 0.00 0.00 178.83 178.08 1ykp h ALA 151 N 0.42 0.85 -0.52 3.87 0.00 -1.75 -3.21 119.26 118.93 1ykp h ALA 151 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ykp h ALA 151 Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ykp h ALA 151 CO 0.00 0.67 0.34 -0.91 0.00 0.00 0.00 179.25 179.36 1ykp h ASN 152 N 1.00 0.49 0.54 0.00 2.35 -0.16 -0.40 115.58 119.41 1ykp h ASN 152 Ca 0.18 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1ykp h ASN 152 Cb 0.54 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1ykp h ASN 152 CO 0.03 0.33 -0.31 0.00 -1.65 0.00 0.00 177.43 175.83 1ykp h ALA 153 N 1.70 1.22 -0.44 -0.83 0.00 -1.39 -2.76 119.26 116.76 1ykp h ALA 153 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ykp h ALA 153 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ykp h ALA 153 CO -0.05 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.21 1ykp n LYS 154 N -3.78 2.54 -1.84 0.00 4.76 -0.23 -4.95 118.16 114.66 1ykp n LYS 154 Ca -0.01 -2.20 -0.42 0.00 -2.87 0.00 0.00 58.31 52.80 1ykp n LYS 154 Cb 0.40 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1ykp n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykp n PRO 156 N 4.73 0.11 -0.02 0.00 -0.04 -1.26 -2.28 135.00 136.24 1ykp n PRO 156 Ca 0.16 0.31 -0.22 0.00 -0.04 0.00 0.00 63.50 63.72 1ykp n PRO 156 Cb 0.38 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 1ykp n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykp n VAL 157 N -1.90 1.72 -0.02 0.52 0.31 -1.26 -3.67 118.33 114.03 1ykp n VAL 157 Ca 0.03 -0.53 -0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ykp n VAL 157 Cb 0.23 -1.78 0.29 0.00 -0.91 0.00 0.00 33.84 31.66 1ykp n VAL 157 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ykp h LEU 158 N -0.15 0.54 0.00 7.52 5.85 -1.89 -2.15 115.31 125.03 1ykp h LEU 158 Ca -0.42 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ykp h LEU 158 Cb 1.89 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1ykp h LEU 158 CO 0.02 0.58 0.00 0.59 -0.34 0.00 0.00 178.44 179.29 1ykp n ASN 159 N -4.29 0.00 0.13 1.25 3.02 -0.97 -2.86 115.26 111.54 1ykp n ASN 159 Ca 0.02 -0.30 0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1ykp n ASN 159 Cb 0.23 -0.21 0.42 0.00 -0.61 0.00 0.00 39.78 39.62 1ykp n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykp h LEU 160 N 0.00 0.00 -9.02 3.41 3.38 -1.46 -3.43 115.31 108.20 1ykp h LEU 160 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1ykp h LEU 160 Cb 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1ykp h LEU 160 CO 0.00 0.00 0.61 -0.63 0.09 0.00 0.00 178.44 178.51 1ykp s ILE 161 N -3.19 4.74 0.17 1.22 1.01 -1.14 -4.93 121.20 119.08 1ykp s ILE 161 Ca 0.08 1.67 -0.07 0.00 0.00 0.00 0.00 60.65 62.33 1ykp s ILE 161 Cb 0.11 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1ykp s ILE 161 CO 0.54 -0.18 1.50 -0.33 0.00 0.00 0.00 174.94 176.47 1ykp h GLU 162 N 7.73 0.77 -4.54 2.79 5.08 -1.88 -3.40 114.58 121.13 1ykp h GLU 162 Ca -0.22 -0.43 -0.71 0.00 -1.00 0.00 0.00 59.36 57.00 1ykp h GLU 162 Cb 1.08 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 30.15 1ykp h GLU 162 CO 0.93 1.06 -0.44 -0.65 -1.00 0.00 0.00 179.01 178.90 1ykp s GLN 163 N -4.25 3.07 0.23 2.33 -1.52 -1.26 -5.01 119.66 113.25 1ykp s GLN 163 Ca -0.09 -0.95 -0.18 0.00 -1.95 0.00 0.00 55.36 52.19 1ykp s GLN 163 Cb 0.11 -3.94 0.23 0.00 -0.22 0.00 0.00 33.01 29.19 1ykp s GLN 163 CO 0.86 -0.69 1.55 -2.30 -0.25 0.00 0.00 175.29 174.46 1ykp n PRO 164 N 5.15 -0.24 0.29 2.91 -0.02 -1.26 -1.61 135.00 140.21 1ykp n PRO 164 Ca -0.11 1.53 0.12 0.00 -2.02 0.00 0.00 63.50 63.02 1ykp n PRO 164 Cb 0.47 -2.27 0.64 0.00 -0.02 0.00 0.00 33.50 32.32 1ykp n PRO 164 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ykp h GLN 165 N 0.00 0.00 0.04 -0.52 7.50 -1.96 0.25 115.11 120.41 1ykp h GLN 165 Ca 0.34 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.21 1ykp h GLN 165 Cb 0.59 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.09 1ykp h GLN 165 CO -0.99 0.00 -1.51 0.00 -1.50 0.00 0.00 178.83 174.84 1ykp h ARG 166 N 0.00 0.09 -0.17 1.46 3.08 -1.70 -3.27 114.38 113.87 1ykp h ARG 166 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1ykp h ARG 166 Cb 0.72 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1ykp h ARG 166 CO 0.00 0.84 0.06 0.00 -1.07 0.00 0.00 179.97 179.80 1ykp h ARG 167 N 0.02 0.23 0.00 0.04 3.08 -0.98 -2.52 114.38 114.26 1ykp h ARG 167 Ca -0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1ykp h ARG 167 Cb 1.96 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1ykp h ARG 167 CO 0.12 0.21 0.00 0.93 -1.07 0.00 0.00 179.97 180.15 1ykp h GLU 168 N 0.24 0.00 0.00 0.04 5.08 -1.63 -1.72 114.58 116.59 1ykp h GLU 168 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ykp h GLU 168 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ykp h GLU 168 CO -0.01 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.25 1ykp n THR 169 N -3.02 0.91 1.00 1.13 -2.24 -0.95 -2.84 114.28 108.28 1ykp n THR 169 Ca -0.01 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1ykp n THR 169 Cb 0.16 -1.05 0.06 0.00 -2.10 0.00 0.00 70.33 67.41 1ykp n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ykp n LEU 170 N -1.79 2.65 -4.50 3.22 4.77 -0.64 -4.80 117.00 115.91 1ykp n LEU 170 Ca 0.03 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.67 1ykp n LEU 170 Cb 0.20 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1ykp n LEU 170 CO 0.16 0.46 0.11 -0.63 -1.33 0.00 0.00 177.39 176.16 1ykp s ILE 171 N -2.17 5.09 0.23 -0.08 1.01 -1.13 -0.45 121.20 123.69 1ykp s ILE 171 Ca 0.25 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1ykp s ILE 171 Cb 0.19 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1ykp s ILE 171 CO 0.40 -0.36 1.10 0.00 0.00 0.00 0.00 174.94 176.08 1ykp s ALA 172 N 2.14 3.39 -0.26 9.38 0.00 0.35 -4.86 121.76 131.90 1ykp s ALA 172 Ca 0.13 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 1ykp s ALA 172 Cb -0.17 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1ykp s ALA 172 CO 0.13 -0.19 0.71 0.15 0.00 0.00 0.00 175.76 176.56 1ykp s LYS 173 N -0.87 4.10 0.18 0.00 1.02 -0.97 -2.13 119.74 121.07 1ykp s LYS 173 Ca 0.47 0.66 -0.31 0.00 0.02 0.00 0.00 55.97 56.81 1ykp s LYS 173 Cb -0.31 -3.66 -0.10 0.00 -0.52 0.00 0.00 37.83 33.24 1ykp s LYS 173 CO 0.38 -0.49 1.50 0.50 -0.92 0.00 0.00 175.35 176.32 1ykp s ARG 174 N 2.67 4.25 0.04 1.68 3.52 -1.26 -1.01 118.95 128.83 1ykp s ARG 174 Ca 0.29 2.29 -0.00 0.00 -0.13 0.00 0.00 55.73 58.18 1ykp s ARG 174 Cb -0.15 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1ykp s ARG 174 CO 0.09 -0.53 0.05 0.00 -0.81 0.00 0.00 175.30 174.10 1ykp s GLU 176 N -2.08 0.49 -0.21 0.00 2.02 -1.26 -2.36 118.70 115.30 1ykp s GLU 176 Ca 0.03 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 1ykp s GLU 176 Cb -0.00 -0.28 0.11 0.00 0.10 0.00 0.00 34.13 34.06 1ykp s GLU 176 CO 0.02 0.05 0.36 0.08 0.02 0.00 0.00 175.26 175.80 1ykp s VAL 177 N -1.16 -0.57 -1.45 2.63 1.01 -0.94 -4.85 120.40 115.06 1ykp s VAL 177 Ca -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1ykp s VAL 177 Cb -0.09 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.62 1ykp s VAL 177 CO 0.00 -0.04 0.64 0.47 0.00 0.00 0.00 175.10 176.16 1ykp n ASP 178 N 5.37 -1.75 -2.53 3.32 8.00 -1.26 -2.53 116.55 125.18 1ykp n ASP 178 Ca -0.05 -0.93 -0.18 0.00 0.71 0.00 0.00 54.79 54.33 1ykp n ASP 178 Cb 0.50 -3.38 0.03 0.00 -0.02 0.00 0.00 41.12 38.25 1ykp n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykp n GLY 179 N -1.75 -0.31 3.06 0.44 0.00 -1.26 -5.01 105.19 100.36 1ykp n GLY 179 Ca -0.19 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1ykp n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykp s LYS 180 N -5.50 1.28 0.15 1.61 2.47 -1.05 -5.12 119.74 113.59 1ykp s LYS 180 Ca 0.25 -0.43 -0.31 0.00 -1.56 0.00 0.00 55.97 53.92 1ykp s LYS 180 Cb -0.11 -1.16 -0.10 0.00 -1.46 0.00 0.00 37.83 35.00 1ykp s LYS 180 CO 0.31 0.18 1.62 0.99 0.16 0.00 0.00 175.35 178.61 1ykp s THR 181 N 0.09 2.60 0.02 3.43 2.01 -1.26 -2.20 115.64 120.33 1ykp s THR 181 Ca -0.03 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 1ykp s THR 181 Cb -0.09 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 1ykp s THR 181 CO 0.01 0.02 -0.01 0.00 -0.69 0.00 0.00 174.62 173.95 1ykp s ALA 182 N 1.51 0.11 -0.05 7.40 0.00 -0.99 -1.19 121.76 128.54 1ykp s ALA 182 Ca 0.72 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1ykp s ALA 182 Cb -0.44 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1ykp s ALA 182 CO 0.32 -0.18 -0.19 0.71 0.00 0.00 0.00 175.76 176.42 1ykp s TYR 183 N -1.64 1.89 -0.21 0.00 1.51 0.03 -1.39 117.35 117.54 1ykp s TYR 183 Ca -0.14 -0.59 -0.10 0.00 -1.01 0.00 0.00 57.07 55.23 1ykp s TYR 183 Cb -0.08 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1ykp s TYR 183 CO -0.01 -0.21 0.13 0.50 -1.11 0.00 0.00 175.55 174.85 1ykp s ARG 184 N 0.10 4.12 -0.26 -0.62 3.52 -0.18 -1.38 118.95 124.24 1ykp s ARG 184 Ca -0.06 -0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.27 1ykp s ARG 184 Cb -0.13 -3.45 0.08 0.00 -1.56 0.00 0.00 34.95 29.90 1ykp s ARG 184 CO 0.03 0.20 0.06 0.12 -0.81 0.00 0.00 175.30 174.90 1ykp s PHE 185 N 0.65 1.55 -0.12 5.12 5.36 0.18 -2.28 117.98 128.44 1ykp s PHE 185 Ca 0.07 -1.44 -0.07 0.00 -0.96 0.00 0.00 56.93 54.54 1ykp s PHE 185 Cb -0.12 -1.46 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 1ykp s PHE 185 CO 0.01 -0.78 0.13 -0.51 -1.46 0.00 0.00 175.22 172.61 1ykp s ASP 186 N 1.67 6.29 -0.11 6.13 1.01 -1.26 -3.88 116.67 126.52 1ykp s ASP 186 Ca 0.04 0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.73 1ykp s ASP 186 Cb -0.17 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1ykp s ASP 186 CO -0.17 0.39 -0.11 -0.63 0.21 0.00 0.00 175.17 174.85 1ykp s ILE 187 N -0.91 3.24 -0.21 0.77 1.01 -0.25 -4.96 121.20 119.90 1ykp s ILE 187 Ca 0.14 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1ykp s ILE 187 Cb -0.12 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1ykp s ILE 187 CO 0.03 0.54 -0.07 -0.13 0.00 0.00 0.00 174.94 175.31 1ykp s ARG 188 N 0.07 3.32 0.19 2.79 0.52 -1.26 -0.12 118.95 124.45 1ykp s ARG 188 Ca -0.04 -0.66 0.10 0.00 -0.52 0.00 0.00 55.73 54.61 1ykp s ARG 188 Cb -0.14 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1ykp s ARG 188 CO 0.04 -0.16 1.38 0.82 0.02 0.00 0.00 175.30 177.40 1ykp h ILE 189 N 5.72 1.43 -2.74 1.52 2.04 -1.71 0.06 117.51 123.82 1ykp h ILE 189 Ca -0.41 -2.89 -0.08 0.00 1.00 0.00 0.00 64.86 62.49 1ykp h ILE 189 Cb 1.16 2.62 -0.17 0.00 -0.74 0.00 0.00 36.82 39.69 1ykp h ILE 189 CO 0.61 0.78 -0.03 -1.58 0.00 0.00 0.00 178.15 177.93 1ykp s GLN 190 N -2.91 0.94 0.62 2.37 0.74 -1.26 -4.71 119.66 115.45 1ykp s GLN 190 Ca 0.02 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1ykp s GLN 190 Cb 0.10 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.64 1ykp s GLN 190 CO 0.79 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1ykp n GLY 191 N 0.68 -0.74 3.68 2.59 0.00 -1.26 -3.94 105.19 106.20 1ykp n GLY 191 Ca -0.19 -1.72 -0.49 0.00 0.00 0.00 0.00 46.02 43.62 1ykp n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykp n GLU 192 N 0.00 2.04 -1.87 1.61 2.13 -1.26 -2.06 120.64 121.23 1ykp n GLU 192 Ca 0.00 0.74 -0.15 0.00 0.66 0.00 0.00 57.16 58.41 1ykp n GLU 192 Cb 0.00 -2.55 -0.04 0.00 0.27 0.00 0.00 31.44 29.12 1ykp n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ykp n GLY 193 N 4.08 0.65 3.58 8.31 0.00 -1.26 -4.93 105.19 115.62 1ykp n GLY 193 Ca 0.21 -0.27 -0.52 0.00 0.00 0.00 0.00 46.02 45.44 1ykp n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykp n GLU 194 N -2.51 1.05 -2.09 1.61 2.13 -0.88 -4.72 120.64 115.23 1ykp n GLU 194 Ca -0.17 0.38 -0.34 0.00 0.66 0.00 0.00 57.16 57.69 1ykp n GLU 194 Cb 0.57 -2.00 0.02 0.00 0.27 0.00 0.00 31.44 30.30 1ykp n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykp s THR 195 N 0.39 3.23 0.32 6.31 2.01 0.01 -4.94 115.64 122.97 1ykp s THR 195 Ca 0.84 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 63.26 1ykp s THR 195 Cb -0.97 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1ykp s THR 195 CO 0.48 -0.24 1.06 -0.69 -0.69 0.00 0.00 174.62 174.54 1ykp s VAL 196 N -2.00 3.64 0.01 3.82 1.01 -1.26 -4.96 120.40 120.66 1ykp s VAL 196 Ca 0.70 1.50 0.05 0.00 0.00 0.00 0.00 61.98 64.23 1ykp s VAL 196 Cb -0.22 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1ykp s VAL 196 CO 0.32 0.24 -0.17 -0.36 0.00 0.00 0.00 175.10 175.13 1ykp s PHE 197 N -1.35 1.48 0.30 5.22 0.08 -1.26 -4.73 117.98 117.71 1ykp s PHE 197 Ca 0.49 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 57.29 1ykp s PHE 197 Cb -0.28 -0.92 -0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1ykp s PHE 197 CO 0.35 0.01 0.33 -0.06 -0.10 0.00 0.00 175.22 175.75 1ykp s PHE 198 N -0.57 3.12 0.00 0.36 0.08 0.31 -5.00 117.98 116.28 1ykp s PHE 198 Ca 0.06 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.97 1ykp s PHE 198 Cb -0.07 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1ykp s PHE 198 CO 0.00 0.26 -0.15 0.34 -0.10 0.00 0.00 175.22 175.57 1ykp s ASP 199 N -4.01 1.75 0.00 1.36 3.68 -1.26 -4.37 116.67 113.83 1ykp s ASP 199 Ca 0.39 -0.33 0.00 0.00 2.13 0.00 0.00 52.55 54.74 1ykp s ASP 199 Cb -0.08 -0.17 0.00 0.00 -1.45 0.00 0.00 42.92 41.22 1ykp s ASP 199 CO 0.28 0.14 0.00 2.22 0.13 0.00 0.00 175.17 177.94