#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 4.83 -0.22 4.25 -1.09 -1.26 -5.03 121.20 122.68 1ykp s ILE 2 Ca 0.00 1.91 -0.06 0.00 -2.23 0.00 0.00 60.65 60.28 1ykp s ILE 2 Cb 0.00 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1ykp s ILE 2 CO 0.00 0.04 0.02 -1.61 -1.23 0.00 0.00 174.94 172.16 1ykp s GLU 3 N 1.86 3.58 0.63 2.79 0.41 -1.26 -5.14 118.70 121.58 1ykp s GLU 3 Ca 0.46 -0.52 -0.05 0.00 -0.41 0.00 0.00 54.97 54.45 1ykp s GLU 3 Cb -0.18 -3.16 0.04 0.00 -1.78 0.00 0.00 34.13 29.05 1ykp s GLU 3 CO 0.18 -0.11 0.93 -0.51 -0.49 0.00 0.00 175.26 175.25 1ykp s LEU 4 N 1.34 3.05 0.46 1.80 1.02 -1.26 -5.04 118.68 120.04 1ykp s LEU 4 Ca 0.04 0.43 -0.25 0.00 0.02 0.00 0.00 54.13 54.38 1ykp s LEU 4 Cb -0.15 -3.18 -0.08 0.00 0.02 0.00 0.00 46.19 42.80 1ykp s LEU 4 CO 0.01 -1.33 1.38 0.18 0.02 0.00 0.00 176.35 176.62 1ykp n LEU 5 N -2.69 4.89 -4.77 1.79 4.77 -1.26 -4.98 117.00 114.76 1ykp n LEU 5 Ca 0.07 1.10 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 1ykp n LEU 5 Cb 0.59 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1ykp n LEU 5 CO 0.51 -0.33 0.86 -2.84 -1.33 0.00 0.00 177.39 174.26 1ykp s PRO 6 N -2.44 3.64 0.39 3.23 0.02 -1.26 -5.02 135.00 133.57 1ykp s PRO 6 Ca 0.62 1.86 -0.27 0.00 0.02 0.00 0.00 61.00 63.24 1ykp s PRO 6 Cb -0.46 -2.38 -0.09 0.00 0.02 0.00 0.00 34.50 31.59 1ykp s PRO 6 CO 0.57 -0.67 1.32 -2.00 -0.33 0.00 0.00 177.00 175.88 1ykp s GLU 7 N -2.73 4.03 0.05 5.54 2.12 -1.26 -4.95 118.70 121.49 1ykp s GLU 7 Ca 0.65 2.20 -0.36 0.00 0.36 0.00 0.00 54.97 57.83 1ykp s GLU 7 Cb -0.31 -2.82 -0.15 0.00 0.26 0.00 0.00 34.13 31.11 1ykp s GLU 7 CO 0.37 -0.46 1.55 2.41 -0.54 0.00 0.00 175.26 178.60 1ykp n THR 8 N 0.25 0.11 -1.88 -1.70 -1.04 -1.26 -4.94 114.28 103.82 1ykp n THR 8 Ca 0.03 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.62 1ykp n THR 8 Cb 0.43 -1.28 0.01 0.00 -1.82 0.00 0.00 70.33 67.67 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 1.47 3.84 0.80 -2.82 0.02 -1.26 -5.01 135.00 132.05 1ykp s PRO 9 Ca 0.85 2.36 -0.11 0.00 0.02 0.00 0.00 61.00 64.12 1ykp s PRO 9 Cb -0.83 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.03 1ykp s PRO 9 CO 0.46 -0.67 1.13 0.45 -0.33 0.00 0.00 177.00 178.04 1ykp s SER 10 N -0.52 4.04 0.01 2.53 0.15 -1.26 -5.09 113.70 113.56 1ykp s SER 10 Ca 0.58 2.03 -0.09 0.00 0.70 0.00 0.00 55.95 59.17 1ykp s SER 10 Cb -0.42 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 1ykp s SER 10 CO 0.55 -2.35 0.17 -1.10 1.20 0.00 0.00 173.24 171.71 1ykp s GLN 11 N -4.60 0.56 0.51 5.44 -1.52 -1.20 -4.91 119.66 113.94 1ykp s GLN 11 Ca 0.65 -0.44 -0.21 0.00 -1.95 0.00 0.00 55.36 53.41 1ykp s GLN 11 Cb -0.21 0.24 -0.08 0.00 -0.22 0.00 0.00 33.01 32.74 1ykp s GLN 11 CO 0.53 -0.15 0.96 -2.37 -0.25 0.00 0.00 175.29 174.02 1ykp n THR 12 N 1.21 2.98 0.18 -0.19 5.66 -1.22 -4.79 114.28 118.11 1ykp n THR 12 Ca -0.22 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 60.33 1ykp n THR 12 Cb 0.56 -1.14 0.28 0.00 -1.55 0.00 0.00 70.33 68.48 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 1.00 0.93 -0.65 1.79 0.00 -1.74 -3.49 119.26 117.09 1ykp h ALA 13 Ca -0.47 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.14 1ykp h ALA 13 Cb 1.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1ykp h ALA 13 CO 0.53 0.51 -0.19 0.41 0.00 0.00 0.00 179.25 180.52 1ykp n GLY 14 N 0.41 -2.21 0.20 0.00 0.00 -1.26 -3.94 105.19 98.39 1ykp n GLY 14 Ca 0.00 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.75 1ykp n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykp h PRO 15 N -0.27 0.00 -0.27 1.61 0.13 -1.93 -2.38 132.00 128.89 1ykp h PRO 15 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ykp h PRO 15 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1ykp h PRO 15 CO 0.01 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.44 1ykp n TYR 16 N -2.45 0.89 -0.26 1.56 4.01 -1.26 -4.49 117.16 115.15 1ykp n TYR 16 Ca -0.02 -0.83 0.30 0.00 -0.16 0.00 0.00 57.90 57.19 1ykp n TYR 16 Cb 0.05 -0.28 0.70 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.83 0.49 -0.70 -0.72 3.04 -1.54 -1.21 116.25 117.43 1ykp h VAL 17 Ca 0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.65 1ykp h VAL 17 Cb 1.36 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 31.03 1ykp h VAL 17 CO 0.20 0.01 0.38 0.45 -1.01 0.00 0.00 177.57 177.60 1ykp h HIS 18 N 0.07 0.98 -0.38 3.17 3.86 -1.86 -0.18 115.15 120.80 1ykp h HIS 18 Ca 0.51 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.73 1ykp h HIS 18 Cb 1.89 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 30.03 1ykp h HIS 18 CO -0.00 0.70 0.26 -0.84 0.86 0.00 0.00 177.93 178.90 1ykp h ILE 19 N 0.97 0.98 0.00 2.45 3.07 -1.43 0.43 117.51 123.99 1ykp h ILE 19 Ca 0.25 -0.11 -0.04 0.00 1.55 0.00 0.00 64.86 66.50 1ykp h ILE 19 Cb 0.05 0.63 -0.01 0.00 -0.27 0.00 0.00 36.82 37.22 1ykp h ILE 19 CO -0.04 0.06 -1.42 0.61 -1.05 0.00 0.00 178.15 176.31 1ykp n GLY 20 N -1.52 -1.27 0.00 0.16 0.00 -0.74 -4.57 105.19 97.25 1ykp n GLY 20 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.59 1.21 -2.73 0.99 4.77 -0.16 -4.87 117.00 113.63 1ykp n LEU 21 Ca -0.04 -1.21 -0.07 0.00 -0.03 0.00 0.00 56.01 54.65 1ykp n LEU 21 Cb 0.63 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.77 1ykp n LEU 21 CO 0.42 0.30 0.28 0.00 -1.33 0.00 0.00 177.39 177.07 1ykp n ALA 22 N -0.28 -1.88 -0.13 -1.18 0.00 0.14 -4.96 120.51 112.23 1ykp n ALA 22 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 53.44 52.23 1ykp n ALA 22 Cb 0.29 -1.73 0.15 0.00 0.00 0.00 0.00 19.45 18.16 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 3.87 0.81 0.47 0.00 4.07 -1.81 -2.21 115.31 120.51 1ykp h LEU 23 Ca -0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 1ykp h LEU 23 Cb 1.07 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1ykp h LEU 23 CO 0.21 0.85 -0.33 -0.08 -1.08 0.00 0.00 178.44 178.01 1ykp h GLU 24 N 0.80 -0.75 0.00 1.13 4.81 -1.88 -1.82 114.58 116.86 1ykp h GLU 24 Ca 0.16 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1ykp h GLU 24 Cb 0.42 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1ykp h GLU 24 CO 0.01 -0.50 0.00 0.00 -0.73 0.00 0.00 179.01 177.79 1ykp h ALA 25 N -0.35 1.00 0.00 2.92 0.00 -1.87 0.26 119.26 121.23 1ykp h ALA 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ykp h ALA 25 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ykp h ALA 25 CO 0.03 0.00 -0.72 0.00 0.00 0.00 0.00 179.25 178.56 1ykp n ALA 26 N -1.84 3.49 -2.77 0.00 0.00 -0.79 -4.97 120.51 113.64 1ykp n ALA 26 Ca -0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 1ykp n ALA 26 Cb 0.07 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 1.43 -0.13 3.29 0.00 0.00 0.91 -5.01 105.19 105.69 1ykp n GLY 27 Ca 0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.64 2.56 0.60 1.61 0.01 -0.76 -5.04 114.94 110.28 1ykp s ASN 28 Ca 0.08 -0.71 -0.20 0.00 -0.71 0.00 0.00 52.86 51.33 1ykp s ASN 28 Cb -0.01 -0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 1ykp s ASN 28 CO 0.44 0.05 1.28 -0.81 -1.51 0.00 0.00 177.10 176.55 1ykp n PRO 29 N 1.00 1.34 -2.69 -0.60 -0.04 -1.26 -3.98 135.00 128.77 1ykp n PRO 29 Ca -0.19 0.51 -0.23 0.00 -0.04 0.00 0.00 63.50 63.55 1ykp n PRO 29 Cb 0.54 -2.51 0.11 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.35 2.02 0.48 0.52 -4.23 -1.26 -4.81 115.64 107.01 1ykp s THR 30 Ca 0.77 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1ykp s THR 30 Cb -0.40 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1ykp s THR 30 CO 0.45 0.00 0.49 -0.13 -0.54 0.00 0.00 174.62 174.89 1ykp s ARG 31 N -5.11 2.44 0.29 3.99 0.52 -1.26 -5.02 118.95 114.80 1ykp s ARG 31 Ca 0.67 -1.66 -0.00 0.00 -0.52 0.00 0.00 55.73 54.22 1ykp s ARG 31 Cb -0.04 -2.40 0.49 0.00 0.52 0.00 0.00 34.95 33.52 1ykp s ARG 31 CO 0.44 -0.46 1.88 -0.44 0.02 0.00 0.00 175.30 176.75 1ykp h ASP 32 N 0.73 0.96 -3.80 0.23 3.32 -2.07 -3.40 116.42 112.40 1ykp h ASP 32 Ca -0.38 0.02 -0.67 0.00 0.02 0.00 0.00 57.03 56.02 1ykp h ASP 32 Cb 1.28 -0.19 -0.38 0.00 0.22 0.00 0.00 39.33 40.27 1ykp h ASP 32 CO 0.52 0.59 -0.77 -1.10 -1.72 0.00 0.00 179.24 176.77 1ykp s GLN 33 N -5.96 2.00 0.04 3.56 -0.21 -1.26 -5.15 119.66 112.68 1ykp s GLN 33 Ca -0.12 -1.52 0.09 0.00 0.02 0.00 0.00 55.36 53.82 1ykp s GLN 33 Cb 0.20 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 1ykp s GLN 33 CO 0.81 -0.70 -0.25 -1.21 -2.12 0.00 0.00 175.29 171.82 1ykp s GLU 34 N 1.04 1.90 -0.29 2.91 0.41 -1.26 -5.10 118.70 118.31 1ykp s GLU 34 Ca -0.02 -1.06 -0.20 0.00 -0.41 0.00 0.00 54.97 53.28 1ykp s GLU 34 Cb -0.20 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.11 1ykp s GLU 34 CO -0.06 0.52 0.62 0.42 -0.49 0.00 0.00 175.26 176.27 1ykp s ILE 35 N -0.80 4.96 0.00 -1.63 1.01 -1.26 -4.99 121.20 118.49 1ykp s ILE 35 Ca 0.12 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1ykp s ILE 35 Cb -0.10 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ykp s ILE 35 CO 0.02 -0.07 0.00 1.87 0.00 0.00 0.00 174.94 176.76 1ykp n TRP 36 N 5.80 -0.03 1.68 3.97 -0.00 -1.26 -4.64 117.44 122.95 1ykp n TRP 36 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.55 1ykp n TRP 36 Cb 0.49 0.00 0.28 0.00 -0.00 0.00 0.00 31.31 32.08 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 -0.52 0.61 -4.18 5.87 6.94 -1.04 -1.00 115.26 121.93 1ykp n ASN 37 Ca 0.00 -1.75 -0.40 0.00 -0.02 0.00 0.00 54.58 52.41 1ykp n ASN 37 Cb 0.00 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.29 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 -1.88 2.81 0.12 -3.83 0.52 -1.26 -0.59 118.95 114.83 1ykp s ARG 38 Ca 0.19 -2.32 0.02 0.00 -0.52 0.00 0.00 55.73 53.11 1ykp s ARG 38 Cb 0.10 -3.96 -0.16 0.00 0.52 0.00 0.00 34.95 31.44 1ykp s ARG 38 CO 0.15 -1.21 1.27 -0.07 0.02 0.00 0.00 175.30 175.46 1ykp h LEU 39 N 7.58 0.20 -8.37 2.53 4.07 -1.34 -3.44 115.31 116.54 1ykp h LEU 39 Ca -0.03 -0.20 -0.66 0.00 0.08 0.00 0.00 57.88 57.07 1ykp h LEU 39 Cb 1.01 -0.06 -0.29 0.00 1.08 0.00 0.00 40.66 42.39 1ykp h LEU 39 CO 0.76 1.10 -0.76 0.00 -1.08 0.00 0.00 178.44 178.46 1ykp s ALA 40 N -2.85 2.66 0.58 1.53 0.00 -1.24 -0.92 121.76 121.52 1ykp s ALA 40 Ca -0.02 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 1ykp s ALA 40 Cb 0.09 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1ykp s ALA 40 CO 0.84 -0.26 1.08 0.15 0.00 0.00 0.00 175.76 177.58 1ykp s LYS 41 N 1.18 3.28 0.39 0.00 1.02 0.53 -4.82 119.74 121.32 1ykp s LYS 41 Ca 0.02 1.38 0.26 0.00 0.02 0.00 0.00 55.97 57.65 1ykp s LYS 41 Cb -0.14 -2.02 1.44 0.00 -0.52 0.00 0.00 37.83 36.59 1ykp s LYS 41 CO -0.03 -0.86 1.81 -1.35 -0.92 0.00 0.00 175.35 174.00 1ykp h PRO 42 N 0.72 0.00 -0.73 -1.68 0.11 -2.00 -2.73 132.00 125.70 1ykp h PRO 42 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1ykp h PRO 42 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1ykp h PRO 42 CO 0.57 0.00 0.04 -0.40 -0.21 0.00 0.00 178.00 178.00 1ykp n ASP 43 N -2.43 4.34 -4.87 -2.05 5.75 -1.26 -4.96 116.55 111.06 1ykp n ASP 43 Ca -0.02 -2.72 -0.31 0.00 -0.01 0.00 0.00 54.79 51.74 1ykp n ASP 43 Cb 0.04 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.45 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 -2.28 3.37 0.62 2.12 0.00 -1.03 -5.05 121.76 119.51 1ykp s ALA 44 Ca 0.39 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 1ykp s ALA 44 Cb 0.30 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1ykp s ALA 44 CO 0.11 0.09 1.25 -2.14 0.00 0.00 0.00 175.76 175.07 1ykp s PRO 45 N -3.63 2.73 0.00 0.00 0.01 -1.26 -4.94 135.00 127.92 1ykp s PRO 45 Ca 0.51 1.95 0.00 0.00 0.01 0.00 0.00 61.00 63.47 1ykp s PRO 45 Cb -0.10 -1.88 0.00 0.00 0.01 0.00 0.00 34.50 32.52 1ykp s PRO 45 CO 0.28 -1.43 0.00 0.41 0.01 0.00 0.00 177.00 176.28 1ykp n GLY 46 N 0.70 0.75 3.53 0.52 0.00 -1.26 -4.71 105.19 104.73 1ykp n GLY 46 Ca 0.15 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.13 3.39 0.06 1.61 2.12 -1.26 -4.93 118.70 118.56 1ykp s GLU 47 Ca 0.00 -0.24 -0.31 0.00 0.36 0.00 0.00 54.97 54.78 1ykp s GLU 47 Cb 0.00 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.41 1ykp s GLU 47 CO 0.00 -0.95 1.42 -1.01 -0.54 0.00 0.00 175.26 174.19 1ykp s HIS 48 N 2.83 2.98 0.11 5.30 3.76 -1.26 -2.35 115.29 126.66 1ykp s HIS 48 Ca 0.24 0.83 0.03 0.00 -0.15 0.00 0.00 55.06 56.00 1ykp s HIS 48 Cb -0.14 -3.70 -0.04 0.00 1.11 0.00 0.00 32.58 29.81 1ykp s HIS 48 CO 0.18 -2.56 -0.09 0.96 -0.85 0.00 0.00 174.74 172.38 1ykp s ILE 49 N 1.85 0.92 -0.20 0.60 -4.36 0.79 -4.54 121.20 116.26 1ykp s ILE 49 Ca 0.65 -1.86 -0.04 0.00 -0.26 0.00 0.00 60.65 59.14 1ykp s ILE 49 Cb -0.35 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1ykp s ILE 49 CO 0.29 -0.72 -0.05 -0.22 0.24 0.00 0.00 174.94 174.48 1ykp s LEU 50 N -2.86 2.99 -0.12 0.37 2.96 -0.81 -1.52 118.68 119.69 1ykp s LEU 50 Ca 0.11 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1ykp s LEU 50 Cb 0.02 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1ykp s LEU 50 CO -0.01 0.05 0.01 -0.76 -1.32 0.00 0.00 176.35 174.31 1ykp s LEU 51 N 1.08 3.57 0.10 -0.68 1.43 0.85 -0.75 118.68 124.28 1ykp s LEU 51 Ca 0.01 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1ykp s LEU 51 Cb -0.15 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1ykp s LEU 51 CO -0.00 0.30 0.17 -1.48 0.23 0.00 0.00 176.35 175.58 1ykp s LEU 52 N -0.44 1.49 0.14 1.79 -0.00 -0.52 -1.39 118.68 119.75 1ykp s LEU 52 Ca 0.08 -0.78 -0.24 0.00 -0.00 0.00 0.00 54.13 53.19 1ykp s LEU 52 Cb -0.12 0.91 0.08 0.00 -0.00 0.00 0.00 46.19 47.06 1ykp s LEU 52 CO 0.02 -0.75 1.08 -0.83 -0.00 0.00 0.00 176.35 175.87 1ykp s GLY 53 N -2.91 -0.01 0.31 -3.48 0.00 -1.14 -1.29 107.32 98.80 1ykp s GLY 53 Ca 0.09 -0.14 0.09 0.00 0.00 0.00 0.00 44.72 44.76 1ykp s GLY 53 CO -0.08 2.25 -0.09 1.20 0.00 0.00 0.00 173.10 176.39 1ykp s GLN 54 N -2.34 1.69 -0.09 2.90 -0.21 -1.26 -0.27 119.66 120.07 1ykp s GLN 54 Ca 0.21 -1.86 -0.01 0.00 0.02 0.00 0.00 55.36 53.72 1ykp s GLN 54 Cb -0.02 -1.49 0.03 0.00 1.00 0.00 0.00 33.01 32.53 1ykp s GLN 54 CO 0.03 0.12 -0.04 0.08 -2.12 0.00 0.00 175.29 173.36 1ykp s VAL 55 N -2.76 0.73 0.23 1.09 1.01 -1.26 -1.16 120.40 118.28 1ykp s VAL 55 Ca 0.31 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1ykp s VAL 55 Cb 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1ykp s VAL 55 CO 0.14 0.32 0.06 -0.31 0.00 0.00 0.00 175.10 175.31 1ykp s TYR 56 N 1.81 2.87 0.51 5.22 1.51 0.65 -0.85 117.35 129.08 1ykp s TYR 56 Ca 0.05 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1ykp s TYR 56 Cb -0.12 -1.32 0.10 0.00 -0.11 0.00 0.00 41.96 40.51 1ykp s TYR 56 CO -0.07 0.56 0.70 -0.40 -1.11 0.00 0.00 175.55 175.23 1ykp n ASP 57 N -0.74 1.17 0.00 2.29 5.68 0.35 -1.94 116.55 123.36 1ykp n ASP 57 Ca -0.08 -1.93 0.07 0.00 -0.50 0.00 0.00 54.79 52.35 1ykp n ASP 57 Cb 0.57 -0.43 0.31 0.00 -1.14 0.00 0.00 41.12 40.43 1ykp n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykp n GLY 58 N -0.55 -0.97 1.06 6.12 0.00 -1.26 -1.40 105.19 108.19 1ykp n GLY 58 Ca 0.12 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.48 3.26 0.00 1.61 3.02 -1.26 -4.80 115.26 115.60 1ykp n ASN 59 Ca 0.04 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1ykp n ASN 59 Cb 0.16 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.41 0.51 3.87 7.41 0.00 -0.49 -5.01 105.19 112.90 1ykp n GLY 60 Ca 0.17 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 3.48 0.42 1.61 3.76 -1.26 -4.77 115.29 116.54 1ykp s HIS 61 Ca 0.00 0.82 -0.25 0.00 -0.15 0.00 0.00 55.06 55.47 1ykp s HIS 61 Cb 0.00 -2.20 -0.08 0.00 1.11 0.00 0.00 32.58 31.40 1ykp s HIS 61 CO 0.00 0.36 1.31 -0.51 -0.85 0.00 0.00 174.74 175.05 1ykp s LEU 62 N -2.53 4.17 -0.36 0.89 1.43 -1.26 -0.49 118.68 120.52 1ykp s LEU 62 Ca 0.43 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 1ykp s LEU 62 Cb -0.12 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 42.16 1ykp s LEU 62 CO 0.21 -0.93 0.22 -0.69 0.23 0.00 0.00 176.35 175.38 1ykp s VAL 63 N -1.28 4.79 -0.37 -1.59 1.01 -0.03 -4.81 120.40 118.13 1ykp s VAL 63 Ca 0.59 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1ykp s VAL 63 Cb -0.38 -3.60 0.49 0.00 0.00 0.00 0.00 36.38 32.89 1ykp s VAL 63 CO 0.48 -0.16 1.52 0.54 0.00 0.00 0.00 175.10 177.48 1ykp n ARG 64 N 5.04 2.46 -2.71 2.72 1.74 -1.26 -4.62 116.66 120.03 1ykp n ARG 64 Ca -0.12 -3.46 -0.03 0.00 -0.77 0.00 0.00 57.85 53.47 1ykp n ARG 64 Cb 0.47 -2.04 0.10 0.00 -1.02 0.00 0.00 32.46 29.98 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 -0.99 -0.71 -4.71 0.55 5.68 -1.22 -3.78 116.55 111.38 1ykp n ASP 65 Ca 0.43 -2.25 -0.26 0.00 -0.50 0.00 0.00 54.79 52.20 1ykp n ASP 65 Cb 0.98 0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 41.31 1ykp n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ykp s SER 66 N -1.84 5.01 -0.06 -1.12 0.15 -1.25 -4.01 113.70 110.59 1ykp s SER 66 Ca 0.16 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 1ykp s SER 66 Cb 0.41 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.59 1ykp s SER 66 CO -0.09 0.08 0.14 0.12 1.20 0.00 0.00 173.24 174.69 1ykp s PHE 67 N -1.77 -0.16 -0.02 3.44 5.36 0.14 -2.69 117.98 122.28 1ykp s PHE 67 Ca 0.29 0.41 0.04 0.00 -0.96 0.00 0.00 56.93 56.70 1ykp s PHE 67 Cb -0.09 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1ykp s PHE 67 CO 0.20 -0.10 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.21 1ykp s LEU 68 N 0.37 1.95 0.08 6.12 1.02 -0.29 -1.66 118.68 126.26 1ykp s LEU 68 Ca -0.02 -0.27 0.07 0.00 0.02 0.00 0.00 54.13 53.93 1ykp s LEU 68 Cb -0.04 -0.75 -0.03 0.00 0.02 0.00 0.00 46.19 45.39 1ykp s LEU 68 CO -0.02 0.15 -0.18 -1.61 0.02 0.00 0.00 176.35 174.71 1ykp s GLU 69 N -0.13 1.01 0.04 1.70 2.02 -0.77 -1.67 118.70 120.91 1ykp s GLU 69 Ca 0.01 -1.03 0.02 0.00 0.02 0.00 0.00 54.97 54.00 1ykp s GLU 69 Cb -0.08 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.98 1ykp s GLU 69 CO 0.00 0.27 -0.08 0.14 0.02 0.00 0.00 175.26 175.61 1ykp s VAL 70 N -1.15 0.59 -0.12 2.63 -7.23 -0.84 -0.68 120.40 113.61 1ykp s VAL 70 Ca 0.03 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1ykp s VAL 70 Cb -0.10 -0.64 0.05 0.00 0.56 0.00 0.00 36.38 36.25 1ykp s VAL 70 CO 0.03 -0.33 0.28 0.86 -0.31 0.00 0.00 175.10 175.63 1ykp s TRP 71 N -1.28 -0.40 0.02 2.82 -0.00 -0.90 -2.20 118.94 117.01 1ykp s TRP 71 Ca -0.08 0.92 -0.27 0.00 -0.00 0.00 0.00 56.10 56.67 1ykp s TRP 71 Cb -0.09 0.09 0.06 0.00 -0.00 0.00 0.00 33.47 33.53 1ykp s TRP 71 CO 0.01 -0.27 0.62 1.14 -0.00 0.00 0.00 176.95 178.44 1ykp s GLN 72 N 1.44 1.10 0.59 5.86 -2.07 -0.37 -1.21 119.66 125.00 1ykp s GLN 72 Ca -0.08 -0.04 -0.13 0.00 -1.82 0.00 0.00 55.36 53.29 1ykp s GLN 72 Cb -0.10 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1ykp s GLN 72 CO -0.09 -0.39 1.02 0.00 -1.32 0.00 0.00 175.29 174.50 1ykp s ALA 73 N -2.09 3.04 1.08 2.60 0.00 -1.26 -4.56 121.76 120.57 1ykp s ALA 73 Ca -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1ykp s ALA 73 Cb -0.01 -3.11 0.08 0.00 0.00 0.00 0.00 23.12 20.09 1ykp s ALA 73 CO 0.02 -0.59 0.26 -0.40 0.00 0.00 0.00 175.76 175.05 1ykp n ASP 74 N -2.36 -1.61 0.13 0.00 5.68 0.22 -4.38 116.55 114.23 1ykp n ASP 74 Ca 0.06 -0.54 0.11 0.00 -0.50 0.00 0.00 54.79 53.92 1ykp n ASP 74 Cb 0.54 -0.25 0.49 0.00 -1.14 0.00 0.00 41.12 40.76 1ykp n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykp n ALA 75 N -3.53 1.49 0.40 2.12 0.00 -1.26 -0.84 120.51 118.90 1ykp n ALA 75 Ca -0.05 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1ykp n ALA 75 Cb 0.15 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.44 1ykp n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ykp n ASN 76 N -2.18 3.40 -0.07 0.00 3.02 -1.26 -3.49 115.26 114.68 1ykp n ASN 76 Ca 0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1ykp n ASN 76 Cb 0.17 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.47 0.75 3.21 7.41 0.00 -0.02 -4.80 105.19 113.22 1ykp n GLY 77 Ca 0.18 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.48 1.95 -0.29 1.61 2.02 -1.25 -4.76 118.70 114.51 1ykp s GLU 78 Ca 0.00 -0.75 -0.18 0.00 0.02 0.00 0.00 54.97 54.05 1ykp s GLU 78 Cb 0.00 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 1ykp s GLU 78 CO 0.00 0.37 0.54 0.71 0.02 0.00 0.00 175.26 176.90 1ykp s TYR 79 N -0.25 3.24 -0.54 1.61 1.51 -1.26 0.72 117.35 122.37 1ykp s TYR 79 Ca 0.02 0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 56.44 1ykp s TYR 79 Cb -0.11 -2.82 0.09 0.00 -0.11 0.00 0.00 41.96 39.02 1ykp s TYR 79 CO 0.01 -0.37 0.59 -0.65 -1.11 0.00 0.00 175.55 174.02 1ykp s GLN 80 N 2.39 3.04 0.05 -0.62 -1.52 -1.26 -4.96 119.66 116.77 1ykp s GLN 80 Ca 0.22 -1.32 -0.16 0.00 -1.95 0.00 0.00 55.36 52.15 1ykp s GLN 80 Cb -0.15 -4.21 -0.27 0.00 -0.22 0.00 0.00 33.01 28.15 1ykp s GLN 80 CO 0.11 -1.33 1.11 0.38 -0.25 0.00 0.00 175.29 175.31 1ykp h ASP 81 N 9.00 0.82 -1.85 5.90 2.03 -1.97 -3.13 116.42 127.22 1ykp h ASP 81 Ca -0.29 -0.80 -0.50 0.00 -0.73 0.00 0.00 57.03 54.71 1ykp h ASP 81 Cb 1.10 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1ykp h ASP 81 CO 1.02 1.53 1.52 0.00 -1.03 0.00 0.00 179.24 182.27 1ykp s ALA 82 N -3.08 2.03 0.11 4.15 0.00 -1.26 -4.91 121.76 118.80 1ykp s ALA 82 Ca -0.10 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 1ykp s ALA 82 Cb 0.05 -4.26 -0.06 0.00 0.00 0.00 0.00 23.12 18.85 1ykp s ALA 82 CO 0.91 -3.91 1.10 -0.47 0.00 0.00 0.00 175.76 173.39 1ykp s TYR 83 N 10.43 3.58 -0.22 0.00 5.04 -1.26 -4.98 117.35 129.93 1ykp s TYR 83 Ca 0.90 1.54 -0.12 0.00 -2.44 0.00 0.00 57.07 56.94 1ykp s TYR 83 Cb -0.19 -3.28 0.07 0.00 0.35 0.00 0.00 41.96 38.91 1ykp s TYR 83 CO 0.27 -0.65 0.54 1.21 -1.34 0.00 0.00 175.55 175.58 1ykp s ASN 84 N 0.44 -0.71 0.00 4.32 3.84 -1.26 -5.06 114.94 116.51 1ykp s ASN 84 Ca 0.52 1.18 0.19 0.00 0.21 0.00 0.00 52.86 54.96 1ykp s ASN 84 Cb -0.28 1.06 0.88 0.00 -0.55 0.00 0.00 41.25 42.36 1ykp s ASN 84 CO 0.32 -0.21 1.60 0.18 -2.79 0.00 0.00 177.10 176.19 1ykp n LEU 85 N 4.26 0.00 0.00 3.21 4.77 -1.26 -1.90 117.00 126.08 1ykp n LEU 85 Ca -0.22 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1ykp n LEU 85 Cb 0.57 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1ykp n LEU 85 CO 0.04 -0.14 0.32 -0.62 -1.33 0.00 0.00 177.39 175.65 1ykp n GLU 86 N -1.41 0.02 -1.88 3.23 1.02 -1.26 -4.95 120.64 115.42 1ykp n GLU 86 Ca 0.07 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 1ykp n GLU 86 Cb 0.19 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1ykp n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ykp s ASN 87 N -3.08 5.49 0.37 1.62 0.01 -0.80 -4.92 114.94 113.63 1ykp s ASN 87 Ca 0.10 1.85 0.13 0.00 -0.71 0.00 0.00 52.86 54.23 1ykp s ASN 87 Cb 0.17 -2.53 0.71 0.00 0.41 0.00 0.00 41.25 40.00 1ykp s ASN 87 CO 0.74 -1.37 1.81 0.00 -1.51 0.00 0.00 177.10 176.77 1ykp h ALA 88 N 0.13 1.31 -3.58 0.60 0.00 -1.91 -3.44 119.26 112.37 1ykp h ALA 88 Ca -0.46 -0.36 -0.33 0.00 0.00 0.00 0.00 54.91 53.76 1ykp h ALA 88 Cb 1.23 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.63 1ykp h ALA 88 CO 0.56 0.49 -0.75 0.12 0.00 0.00 0.00 179.25 179.67 1ykp s PHE 89 N -4.08 0.34 0.01 0.00 5.36 -1.25 0.20 117.98 118.56 1ykp s PHE 89 Ca -0.02 -0.03 0.07 0.00 -0.96 0.00 0.00 56.93 55.99 1ykp s PHE 89 Cb 0.14 -0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 42.43 1ykp s PHE 89 CO 0.72 -0.10 -0.23 -0.80 -1.46 0.00 0.00 175.22 173.35 1ykp s ASN 90 N 0.72 2.68 0.00 6.13 0.01 -0.10 -4.99 114.94 119.40 1ykp s ASN 90 Ca -0.07 -0.47 0.29 0.00 -0.71 0.00 0.00 52.86 51.89 1ykp s ASN 90 Cb -0.11 -0.27 1.24 0.00 0.41 0.00 0.00 41.25 42.52 1ykp s ASN 90 CO -0.01 0.24 1.92 -1.20 -1.51 0.00 0.00 177.10 176.54 1ykp n SER 91 N 2.20 0.02 -4.56 -1.22 7.64 -1.18 -4.77 113.62 111.74 1ykp n SER 91 Ca -0.16 0.43 -0.31 0.00 1.01 0.00 0.00 58.87 59.84 1ykp n SER 91 Cb 0.52 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 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 -2.97 2.79 0.16 1.43 5.36 -1.26 -1.24 117.98 122.25 1ykp s PHE 92 Ca 0.15 -0.11 -0.24 0.00 -0.96 0.00 0.00 56.93 55.76 1ykp s PHE 92 Cb 0.19 -1.55 0.07 0.00 -0.34 0.00 0.00 43.02 41.39 1ykp s PHE 92 CO 0.53 0.35 0.99 0.20 -1.46 0.00 0.00 175.22 175.83 1ykp s GLY 93 N -1.56 -0.16 0.05 13.12 0.00 -0.93 -4.87 107.32 112.98 1ykp s GLY 93 Ca 0.17 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1ykp s GLY 93 CO 0.08 0.47 -0.06 0.50 0.00 0.00 0.00 173.10 174.10 1ykp s ARG 94 N -3.00 0.58 0.32 2.90 0.52 -0.17 -1.99 118.95 118.11 1ykp s ARG 94 Ca 0.14 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.27 1ykp s ARG 94 Cb -0.01 -0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.38 1ykp s ARG 94 CO 0.03 -0.02 0.57 -0.08 0.02 0.00 0.00 175.30 175.82 1ykp s THR 95 N -2.51 0.00 0.06 0.02 -1.32 -0.67 -2.51 115.64 108.71 1ykp s THR 95 Ca -0.02 -1.34 -0.23 0.00 -1.21 0.00 0.00 61.69 58.89 1ykp s THR 95 Cb -0.02 -2.50 0.05 0.00 -1.51 0.00 0.00 72.50 68.52 1ykp s THR 95 CO -0.03 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 172.91 1ykp s ALA 96 N -3.26 -1.36 -0.19 11.08 0.00 -1.26 -1.14 121.76 125.62 1ykp s ALA 96 Ca 0.23 0.60 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 1ykp s ALA 96 Cb -0.02 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1ykp s ALA 96 CO 0.13 -0.53 0.08 0.95 0.00 0.00 0.00 175.76 176.39 1ykp s THR 97 N -2.58 4.85 0.47 0.00 -4.23 -1.09 -4.33 115.64 108.72 1ykp s THR 97 Ca -0.05 -0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.52 1ykp s THR 97 Cb -0.01 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 1ykp s THR 97 CO -0.03 0.44 0.30 0.42 -0.54 0.00 0.00 174.62 175.21 1ykp s THR 98 N 0.50 2.03 0.47 3.99 -4.23 1.33 -3.40 115.64 116.33 1ykp s THR 98 Ca 0.04 -1.57 0.21 0.00 -1.18 0.00 0.00 61.69 59.20 1ykp s THR 98 Cb -0.13 -2.59 0.26 0.00 1.34 0.00 0.00 72.50 71.38 1ykp s THR 98 CO 0.01 0.00 2.08 -0.26 -0.54 0.00 0.00 174.62 175.90 1ykp h PHE 99 N 1.07 0.00 0.00 3.99 0.05 -1.94 -3.06 116.94 117.05 1ykp h PHE 99 Ca -0.40 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.39 1ykp h PHE 99 Cb 1.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.23 1ykp h PHE 99 CO 0.81 0.12 -0.27 -0.44 -0.18 0.00 0.00 178.31 178.35 1ykp h ASP 100 N 0.00 0.00 -2.87 2.17 3.32 -1.95 -3.41 116.42 113.67 1ykp h ASP 100 Ca -0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.32 1ykp h ASP 100 Cb 0.25 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.59 1ykp h ASP 100 CO 0.02 0.63 0.60 0.00 -1.72 0.00 0.00 179.24 178.77 1ykp s ALA 101 N -2.65 3.62 -1.03 3.45 0.00 -1.21 -4.86 121.76 119.09 1ykp s ALA 101 Ca -0.08 -2.97 0.14 0.00 0.00 0.00 0.00 51.96 49.05 1ykp s ALA 101 Cb 0.01 -3.88 0.60 0.00 0.00 0.00 0.00 23.12 19.86 1ykp s ALA 101 CO 0.12 -2.74 1.44 0.41 0.00 0.00 0.00 175.76 174.98 1ykp n GLY 102 N 4.95 -0.96 3.47 0.00 0.00 -1.16 0.40 105.19 111.89 1ykp n GLY 102 Ca 0.21 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1ykp n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 103 N -2.97 2.55 0.32 1.61 2.12 -1.26 -4.63 118.70 116.44 1ykp s GLU 103 Ca 0.07 -0.69 0.07 0.00 0.36 0.00 0.00 54.97 54.78 1ykp s GLU 103 Cb 0.09 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 1ykp s GLU 103 CO 0.25 0.60 0.35 1.67 -0.54 0.00 0.00 175.26 177.60 1ykp s TRP 104 N -0.68 3.03 0.12 5.30 1.48 0.63 -4.71 118.94 124.11 1ykp s TRP 104 Ca 0.10 -0.24 -0.06 0.00 -1.06 0.00 0.00 56.10 54.84 1ykp s TRP 104 Cb -0.11 -1.82 -0.02 0.00 -1.16 0.00 0.00 33.47 30.37 1ykp s TRP 104 CO 0.01 0.16 0.18 0.95 -4.06 0.00 0.00 176.95 174.18 1ykp s THR 105 N -2.22 0.12 -0.21 0.66 -4.23 -1.26 -2.89 115.64 105.61 1ykp s THR 105 Ca 0.41 -1.46 -0.18 0.00 -1.18 0.00 0.00 61.69 59.28 1ykp s THR 105 Cb -0.07 -1.68 0.06 0.00 1.34 0.00 0.00 72.50 72.14 1ykp s THR 105 CO 0.28 -0.52 0.54 -0.22 -0.54 0.00 0.00 174.62 174.16 1ykp s LEU 106 N -2.94 -0.17 -0.22 4.79 2.96 -0.49 -4.84 118.68 117.78 1ykp s LEU 106 Ca 0.13 1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 55.09 1ykp s LEU 106 Cb 0.05 1.86 -0.03 0.00 0.50 0.00 0.00 46.19 48.58 1ykp s LEU 106 CO -0.04 -0.19 0.04 -1.00 -1.32 0.00 0.00 176.35 173.83 1ykp s HIS 107 N 0.54 3.08 0.00 5.38 3.76 0.24 -0.11 115.29 128.18 1ykp s HIS 107 Ca -0.02 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1ykp s HIS 107 Cb -0.04 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.48 1ykp s HIS 107 CO -0.03 -0.27 0.00 -2.37 -0.85 0.00 0.00 174.74 171.23 1ykp n THR 108 N 4.53 0.00 -4.92 1.30 5.66 -0.58 -0.96 114.28 119.30 1ykp n THR 108 Ca -0.17 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.56 1ykp n THR 108 Cb 0.52 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.14 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 -2.92 1.68 0.01 1.08 -7.23 -1.26 -0.15 120.40 111.61 1ykp s VAL 109 Ca 0.00 -0.99 -0.35 0.00 -1.81 0.00 0.00 61.98 58.82 1ykp s VAL 109 Cb 0.00 -1.41 -0.14 0.00 0.56 0.00 0.00 36.38 35.39 1ykp s VAL 109 CO 0.00 0.39 1.65 1.17 -0.31 0.00 0.00 175.10 178.00 1ykp n LYS 110 N 2.34 1.85 -2.54 4.82 4.81 -0.99 -4.88 118.16 123.57 1ykp n LYS 110 Ca -0.16 0.67 -0.41 0.00 -0.87 0.00 0.00 58.31 57.54 1ykp n LYS 110 Cb 0.53 -2.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.11 1ykp n LYS 110 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ykp s PRO 111 N 2.15 4.59 0.74 1.64 0.04 -1.26 -4.24 135.00 138.65 1ykp s PRO 111 Ca 0.87 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1ykp s PRO 111 Cb -0.78 -3.31 0.18 0.00 0.04 0.00 0.00 34.50 30.63 1ykp s PRO 111 CO 0.47 0.06 0.75 0.41 0.04 0.00 0.00 177.00 178.73 1ykp n GLY 112 N 2.23 -2.27 3.71 0.56 0.00 -0.18 -4.72 105.19 104.51 1ykp n GLY 112 Ca 0.03 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1ykp n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykp s VAL 113 N -2.45 4.11 0.15 1.61 1.01 -1.26 -4.34 120.40 119.23 1ykp s VAL 113 Ca 0.46 1.50 0.11 0.00 0.00 0.00 0.00 61.98 64.06 1ykp s VAL 113 Cb -0.03 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ykp s VAL 113 CO 0.35 0.09 -0.24 0.68 0.00 0.00 0.00 175.10 175.98 1ykp s VAL 114 N 1.35 2.42 0.34 2.92 -7.23 -1.26 -4.49 120.40 114.46 1ykp s VAL 114 Ca 0.58 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 1ykp s VAL 114 Cb -0.28 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1ykp s VAL 114 CO 0.27 0.01 0.62 0.20 -0.31 0.00 0.00 175.10 175.90 1ykp s ASN 115 N -2.32 6.41 0.66 4.85 0.01 -1.26 -0.19 114.94 123.10 1ykp s ASN 115 Ca 0.17 0.78 -0.01 0.00 -0.71 0.00 0.00 52.86 53.09 1ykp s ASN 115 Cb -0.09 -2.17 0.10 0.00 0.41 0.00 0.00 41.25 39.50 1ykp s ASN 115 CO 0.08 -0.30 0.69 -0.46 -1.51 0.00 0.00 177.10 175.61 1ykp n ASN 116 N -1.30 0.81 0.27 -1.22 6.94 -0.62 -4.87 115.26 115.27 1ykp n ASN 116 Ca -0.01 -1.71 0.14 0.00 -0.02 0.00 0.00 54.58 52.98 1ykp n ASN 116 Cb 0.54 -0.46 0.72 0.00 -2.36 0.00 0.00 39.78 38.23 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 -0.70 1.13 -0.01 -2.53 0.00 -1.99 -0.80 119.26 114.36 1ykp h ALA 117 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ykp h ALA 117 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ykp h ALA 117 CO 0.23 0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 1ykp n ALA 118 N -2.20 2.74 -0.49 0.00 0.00 -1.26 -4.95 120.51 114.35 1ykp n ALA 118 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1ykp n ALA 118 Cb 0.27 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.22 0.75 3.66 0.00 0.00 -0.30 -5.04 105.19 105.48 1ykp n GLY 119 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.39 5.01 0.29 1.61 1.01 -1.26 -4.76 120.40 119.91 1ykp s VAL 120 Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1ykp s VAL 120 Cb 0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 1ykp s VAL 120 CO 0.00 0.11 1.50 -2.16 0.00 0.00 0.00 175.10 174.55 1ykp s PRO 121 N 1.91 4.19 0.35 2.72 0.04 -1.26 -1.58 135.00 141.36 1ykp s PRO 121 Ca 0.29 2.45 0.04 0.00 0.04 0.00 0.00 61.00 63.82 1ykp s PRO 121 Cb -0.16 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1ykp s PRO 121 CO 0.10 -0.51 0.51 -1.64 0.04 0.00 0.00 177.00 175.51 1ykp s MET 122 N -0.74 3.22 0.69 4.56 -1.94 0.73 -4.50 119.30 121.32 1ykp s MET 122 Ca 0.60 -0.72 -0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1ykp s MET 122 Cb -0.45 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 33.67 1ykp s MET 122 CO 0.48 0.06 1.05 0.00 -0.01 0.00 0.00 175.02 176.60 1ykp s ALA 123 N -2.26 2.99 0.14 3.03 0.00 -1.26 -4.01 121.76 120.38 1ykp s ALA 123 Ca 0.43 -0.50 -0.32 0.00 0.00 0.00 0.00 51.96 51.58 1ykp s ALA 123 Cb -0.10 -2.89 -0.11 0.00 0.00 0.00 0.00 23.12 20.03 1ykp s ALA 123 CO 0.33 -1.11 1.81 -2.30 0.00 0.00 0.00 175.76 174.49 1ykp n PRO 124 N -2.92 2.75 -4.09 0.00 -0.02 -1.26 -4.84 135.00 124.60 1ykp n PRO 124 Ca 0.06 1.00 -0.10 0.00 -2.02 0.00 0.00 63.50 62.44 1ykp n PRO 124 Cb 0.58 -2.88 -0.09 0.00 -0.02 0.00 0.00 33.50 31.09 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 2.38 0.74 -0.02 6.00 -3.43 -1.26 -4.34 115.29 115.36 1ykp s HIS 125 Ca 0.81 -1.10 0.07 0.00 -0.80 0.00 0.00 55.06 54.04 1ykp s HIS 125 Cb -0.50 -0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 30.28 1ykp s HIS 125 CO 0.37 -0.60 -0.25 0.42 -2.00 0.00 0.00 174.74 172.68 1ykp s ILE 126 N -4.03 1.95 -0.04 -5.38 1.01 0.47 -4.67 121.20 110.51 1ykp s ILE 126 Ca 0.23 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1ykp s ILE 126 Cb 0.06 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1ykp s ILE 126 CO 0.02 0.55 0.55 0.20 0.00 0.00 0.00 174.94 176.26 1ykp s ASN 127 N -0.53 6.88 -0.04 3.58 0.01 -0.35 0.74 114.94 125.23 1ykp s ASN 127 Ca 0.08 1.05 0.06 0.00 -0.71 0.00 0.00 52.86 53.34 1ykp s ASN 127 Cb -0.10 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 1ykp s ASN 127 CO -0.00 0.09 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.82 1ykp s ILE 128 N -0.02 1.78 -0.08 0.60 1.01 -0.60 -2.11 121.20 121.78 1ykp s ILE 128 Ca 0.29 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1ykp s ILE 128 Cb -0.17 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.80 1ykp s ILE 128 CO 0.15 0.50 -0.18 -0.44 0.00 0.00 0.00 174.94 174.97 1ykp s SER 129 N -0.21 2.43 -0.16 3.58 0.01 0.14 -0.52 113.70 118.97 1ykp s SER 129 Ca 0.00 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1ykp s SER 129 Cb -0.12 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.01 1ykp s SER 129 CO 0.02 0.10 -0.20 -0.22 0.41 0.00 0.00 173.24 173.35 1ykp s LEU 130 N 0.50 2.17 0.03 2.44 2.96 0.16 -1.84 118.68 125.10 1ykp s LEU 130 Ca -0.17 -0.61 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 1ykp s LEU 130 Cb -0.17 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1ykp s LEU 130 CO 0.06 0.04 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.58 1ykp s PHE 131 N 1.04 1.77 0.08 5.38 0.40 -0.67 -1.68 117.98 124.30 1ykp s PHE 131 Ca -0.01 -0.36 -0.27 0.00 -0.60 0.00 0.00 56.93 55.68 1ykp s PHE 131 Cb -0.14 -1.08 0.08 0.00 0.51 0.00 0.00 43.02 42.40 1ykp s PHE 131 CO -0.07 0.06 1.02 0.00 0.70 0.00 0.00 175.22 176.93 1ykp s ALA 132 N -0.71 -1.82 0.46 5.36 0.00 -1.26 0.24 121.76 124.02 1ykp s ALA 132 Ca 0.07 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 1ykp s ALA 132 Cb -0.08 0.51 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 1ykp s ALA 132 CO 0.01 -0.97 1.23 2.89 0.00 0.00 0.00 175.76 178.93 1ykp n ARG 133 N -0.42 1.75 -0.27 0.00 1.85 -1.26 -1.41 116.66 116.91 1ykp n ARG 133 Ca -0.07 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 1ykp n ARG 133 Cb 0.61 -2.36 0.00 0.00 -1.05 0.00 0.00 32.46 29.66 1ykp n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ykp n GLY 134 N 0.88 1.82 3.29 2.89 0.00 -1.26 -4.97 105.19 107.84 1ykp n GLY 134 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.04 3.41 0.14 -0.61 1.01 -0.50 -5.01 121.20 116.61 1ykp s ILE 135 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1ykp s ILE 135 Cb 0.00 -2.66 -0.17 0.00 0.01 0.00 0.00 42.46 39.64 1ykp s ILE 135 CO 0.00 0.26 1.34 0.78 0.00 0.00 0.00 174.94 177.32 1ykp h ASN 136 N 8.12 0.41 -3.47 3.58 2.35 -1.91 -3.33 115.58 121.34 1ykp h ASN 136 Ca -0.36 -0.33 -0.38 0.00 -0.55 0.00 0.00 56.30 54.68 1ykp h ASN 136 Cb 1.14 -0.13 -0.34 0.00 0.05 0.00 0.00 38.32 39.04 1ykp h ASN 136 CO 0.59 1.13 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.23 1ykp s ILE 137 N -3.25 0.36 0.95 2.81 2.07 -1.26 -3.23 121.20 119.66 1ykp s ILE 137 Ca -0.05 -0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.05 1ykp s ILE 137 Cb 0.09 -0.43 0.04 0.00 0.13 0.00 0.00 42.46 42.30 1ykp s ILE 137 CO 0.85 0.19 0.44 0.00 -1.91 0.00 0.00 174.94 174.51 1ykp n HIS 138 N 4.14 -1.34 -4.57 3.50 1.44 -1.26 -4.97 115.22 112.17 1ykp n HIS 138 Ca -0.25 0.24 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1ykp n HIS 138 Cb 0.51 -1.79 -0.12 0.00 0.12 0.00 0.00 29.99 28.71 1ykp n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykp s LEU 139 N -1.39 3.16 -0.15 2.39 1.43 -0.68 -4.87 118.68 118.57 1ykp s LEU 139 Ca 0.57 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.54 1ykp s LEU 139 Cb -0.21 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1ykp s LEU 139 CO 0.67 0.29 0.03 -1.00 0.23 0.00 0.00 176.35 176.57 1ykp s HIS 140 N -0.36 3.21 0.32 0.29 3.76 -1.26 -0.66 115.29 120.59 1ykp s HIS 140 Ca 0.05 0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 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 0.22 0.35 -2.37 -0.85 0.00 0.00 174.74 172.11 1ykp n THR 141 N 3.15 0.00 -4.00 1.30 5.66 0.32 -0.95 114.28 119.75 1ykp n THR 141 Ca -0.17 -2.02 -0.15 0.00 -3.05 0.00 0.00 64.05 58.66 1ykp n THR 141 Cb 0.53 1.10 -0.15 0.00 -1.55 0.00 0.00 70.33 70.26 1ykp n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ykp s ARG 142 N -3.05 0.25 -0.25 1.09 0.52 -1.26 -1.56 118.95 114.69 1ykp s ARG 142 Ca 0.33 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.41 1ykp s ARG 142 Cb 0.01 -0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.16 1ykp s ARG 142 CO 0.24 0.01 0.07 -1.17 0.02 0.00 0.00 175.30 174.47 1ykp s LEU 143 N 0.20 3.45 0.30 2.53 0.20 0.23 -4.75 118.68 120.84 1ykp s LEU 143 Ca -0.02 -0.20 0.09 0.00 0.69 0.00 0.00 54.13 54.69 1ykp s LEU 143 Cb -0.04 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1ykp s LEU 143 CO -0.00 -0.03 0.06 -0.31 -0.29 0.00 0.00 176.35 175.77 1ykp s TYR 144 N 1.61 2.70 -0.17 5.38 1.51 0.13 -0.40 117.35 128.10 1ykp s TYR 144 Ca 0.06 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1ykp s TYR 144 Cb -0.15 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 1ykp s TYR 144 CO 0.04 0.49 0.11 -0.06 -1.11 0.00 0.00 175.55 175.01 1ykp s PHE 145 N -2.38 3.40 0.08 2.71 0.40 -1.26 0.13 117.98 121.05 1ykp s PHE 145 Ca 0.34 0.31 0.33 0.00 -0.60 0.00 0.00 56.93 57.31 1ykp s PHE 145 Cb -0.04 -2.07 1.46 0.00 0.51 0.00 0.00 43.02 42.88 1ykp s PHE 145 CO 0.21 0.37 1.99 0.38 0.70 0.00 0.00 175.22 178.87 1ykp h ASP 146 N 6.20 0.00 -0.35 1.36 3.04 -1.67 -3.05 116.42 121.95 1ykp h ASP 146 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1ykp h ASP 146 Cb 1.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1ykp h ASP 146 CO 0.69 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.99 1ykp n ASP 147 N -2.90 2.42 -0.71 4.15 5.75 -1.26 -3.74 116.55 120.25 1ykp n ASP 147 Ca 0.00 -2.14 0.04 0.00 -0.01 0.00 0.00 54.79 52.68 1ykp n ASP 147 Cb 0.24 -0.36 0.20 0.00 -1.03 0.00 0.00 41.12 40.18 1ykp n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykp n GLU 148 N 0.50 1.79 -0.28 0.11 -0.58 -1.15 -4.87 120.64 116.16 1ykp n GLU 148 Ca 0.13 -3.05 0.27 0.00 -0.42 0.00 0.00 57.16 54.09 1ykp n GLU 148 Cb 0.44 -1.69 0.48 0.00 -0.57 0.00 0.00 31.44 30.10 1ykp n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykp n ALA 149 N -1.10 0.87 -0.05 0.62 0.00 -1.25 -1.04 120.51 118.57 1ykp n ALA 149 Ca 0.23 0.77 -0.13 0.00 0.00 0.00 0.00 53.44 54.31 1ykp n ALA 149 Cb 0.82 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 19.35 1ykp n ALA 149 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ykp h GLN 150 N 0.00 -0.01 -0.93 0.00 4.20 -1.94 -0.29 115.11 116.14 1ykp h GLN 150 Ca 0.67 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.42 1ykp h GLN 150 Cb 1.88 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.60 1ykp h GLN 150 CO -0.54 0.79 0.61 0.00 -0.67 0.00 0.00 178.83 179.02 1ykp h ALA 151 N 0.09 1.43 -0.82 3.87 0.00 -1.78 -2.24 119.26 119.80 1ykp h ALA 151 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ykp h ALA 151 Cb 0.81 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1ykp h ALA 151 CO 0.00 0.47 0.55 -0.91 0.00 0.00 0.00 179.25 179.36 1ykp h ASN 152 N 1.14 0.94 0.78 0.00 2.35 -0.94 -2.12 115.58 117.73 1ykp h ASN 152 Ca 0.37 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1ykp h ASN 152 Cb 0.05 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1ykp h ASN 152 CO -0.12 0.68 -0.05 0.00 -1.65 0.00 0.00 177.43 176.29 1ykp h ALA 153 N 1.49 1.04 -0.42 -0.83 0.00 -0.41 -3.07 119.26 117.05 1ykp h ALA 153 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ykp h ALA 153 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ykp h ALA 153 CO -0.07 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.87 1ykp n LYS 154 N -3.20 2.54 -2.25 0.00 4.76 -0.84 -4.89 118.16 114.28 1ykp n LYS 154 Ca -0.00 -2.34 -0.42 0.00 -2.87 0.00 0.00 58.31 52.68 1ykp n LYS 154 Cb 0.28 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1ykp n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykp h PRO 156 N 6.94 0.00 0.06 0.00 0.13 -1.92 -0.29 132.00 136.93 1ykp h PRO 156 Ca -0.41 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.52 1ykp h PRO 156 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ykp h PRO 156 CO 0.85 0.11 -1.04 0.28 -0.23 0.00 0.00 178.00 177.98 1ykp h VAL 157 N 0.00 1.19 -0.10 1.56 2.07 -1.95 -2.95 116.25 116.08 1ykp h VAL 157 Ca -0.00 -2.34 -0.10 0.00 0.82 0.00 0.00 66.70 65.08 1ykp h VAL 157 Cb 0.37 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1ykp h VAL 157 CO 0.01 0.58 -0.39 0.25 0.02 0.00 0.00 177.57 178.04 1ykp h LEU 158 N -0.64 0.22 -0.20 2.57 5.85 -1.89 -2.16 115.31 119.06 1ykp h LEU 158 Ca -0.24 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1ykp h LEU 158 Cb 1.47 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1ykp h LEU 158 CO -0.02 0.60 0.00 0.59 -0.34 0.00 0.00 178.44 179.27 1ykp n ASN 159 N -4.04 0.39 0.02 1.25 3.02 -0.13 -1.77 115.26 114.00 1ykp n ASN 159 Ca -0.01 0.57 0.08 0.00 -0.03 0.00 0.00 54.58 55.18 1ykp n ASN 159 Cb 0.46 -0.66 0.37 0.00 -0.61 0.00 0.00 39.78 39.34 1ykp n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ykp n LEU 160 N -1.89 0.08 -4.58 3.41 4.77 -0.81 -4.67 117.00 113.31 1ykp n LEU 160 Ca 0.04 0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 56.12 1ykp n LEU 160 Cb 0.29 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1ykp n LEU 160 CO 0.22 -0.25 0.61 -0.63 -1.33 0.00 0.00 177.39 176.02 1ykp s ILE 161 N -3.04 4.68 0.19 -0.08 1.01 -0.73 -4.95 121.20 118.29 1ykp s ILE 161 Ca 0.08 0.86 -0.14 0.00 0.00 0.00 0.00 60.65 61.44 1ykp s ILE 161 Cb 0.11 -4.26 0.14 0.00 0.01 0.00 0.00 42.46 38.45 1ykp s ILE 161 CO 0.31 -0.52 1.68 -0.33 0.00 0.00 0.00 174.94 176.08 1ykp h GLU 162 N 8.59 0.10 -5.42 2.79 5.08 -1.89 -3.40 114.58 120.43 1ykp h GLU 162 Ca -0.24 -0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.49 1ykp h GLU 162 Cb 1.09 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 1ykp h GLU 162 CO 0.94 0.07 0.07 -0.65 -1.00 0.00 0.00 179.01 178.43 1ykp s GLN 163 N -6.17 4.03 0.43 2.33 -1.52 -1.26 -4.97 119.66 112.53 1ykp s GLN 163 Ca -0.14 0.37 0.20 0.00 -1.95 0.00 0.00 55.36 53.84 1ykp s GLN 163 Cb 0.16 -3.67 1.14 0.00 -0.22 0.00 0.00 33.01 30.42 1ykp s GLN 163 CO 0.72 -0.42 1.84 -1.35 -0.25 0.00 0.00 175.29 175.84 1ykp h PRO 164 N 8.03 0.34 -0.57 2.91 0.11 -2.00 -2.24 132.00 138.58 1ykp h PRO 164 Ca -0.28 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1ykp h PRO 164 Cb 1.13 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1ykp h PRO 164 CO 0.75 0.23 -0.02 1.96 -0.21 0.00 0.00 178.00 180.71 1ykp h GLN 165 N 0.35 1.02 0.00 1.05 7.50 -1.96 -2.90 115.11 120.18 1ykp h GLN 165 Ca 0.49 -0.34 -0.04 0.00 0.50 0.00 0.00 58.65 59.26 1ykp h GLN 165 Cb 1.30 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.74 1ykp h GLN 165 CO -0.17 1.02 -0.20 0.00 -1.50 0.00 0.00 178.83 177.98 1ykp h ARG 166 N 0.91 0.00 -0.05 1.46 3.08 -1.80 -2.23 114.38 115.75 1ykp h ARG 166 Ca 0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1ykp h ARG 166 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1ykp h ARG 166 CO 0.03 0.20 -0.44 0.00 -1.07 0.00 0.00 179.97 178.69 1ykp h ARG 167 N 0.00 0.13 0.00 0.04 3.08 -1.49 -2.60 114.38 113.53 1ykp h ARG 167 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1ykp h ARG 167 Cb 0.51 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ykp h ARG 167 CO 0.03 0.55 -0.04 0.93 -1.07 0.00 0.00 179.97 180.37 1ykp h GLU 168 N 0.10 0.00 0.00 0.04 5.08 -1.34 -2.64 114.58 115.82 1ykp h GLU 168 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ykp h GLU 168 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ykp h GLU 168 CO 0.06 0.04 0.00 1.79 -1.00 0.00 0.00 179.01 179.90 1ykp h THR 169 N 0.00 0.00 -0.17 1.13 1.35 -1.57 -2.95 112.91 110.70 1ykp h THR 169 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1ykp h THR 169 Cb 0.17 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1ykp h THR 169 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 1ykp n LEU 170 N -2.96 1.80 -4.52 3.87 4.77 -1.00 -4.81 117.00 114.15 1ykp n LEU 170 Ca 0.00 -0.74 -0.42 0.00 -0.03 0.00 0.00 56.01 54.83 1ykp n LEU 170 Cb 0.27 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1ykp n LEU 170 CO 0.25 0.37 0.10 -0.63 -1.33 0.00 0.00 177.39 176.15 1ykp s ILE 171 N -1.79 5.10 0.06 -0.08 1.09 -1.12 -0.70 121.20 123.77 1ykp s ILE 171 Ca 0.33 -0.06 -0.27 0.00 -1.10 0.00 0.00 60.65 59.55 1ykp s ILE 171 Cb 0.18 -3.94 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 1ykp s ILE 171 CO 0.27 -0.25 0.85 0.00 -0.10 0.00 0.00 174.94 175.71 1ykp s ALA 172 N 2.14 3.30 -0.24 9.38 0.00 0.34 -4.89 121.76 131.79 1ykp s ALA 172 Ca 0.13 0.40 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 1ykp s ALA 172 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ykp s ALA 172 CO 0.13 -0.01 0.74 0.15 0.00 0.00 0.00 175.76 176.77 1ykp s LYS 173 N 0.12 4.16 0.27 0.00 1.02 -0.95 -1.69 119.74 122.67 1ykp s LYS 173 Ca 0.43 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 56.89 1ykp s LYS 173 Cb -0.21 -3.64 -0.10 0.00 -0.52 0.00 0.00 37.83 33.35 1ykp s LYS 173 CO 0.25 -0.46 1.36 0.50 -0.92 0.00 0.00 175.35 176.08 1ykp s ARG 174 N 2.66 4.33 0.19 1.68 3.52 -1.26 -2.40 118.95 127.67 1ykp s ARG 174 Ca 0.31 2.21 0.01 0.00 -0.13 0.00 0.00 55.73 58.13 1ykp s ARG 174 Cb -0.15 -3.11 -0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1ykp s ARG 174 CO 0.08 -0.30 0.23 0.00 -0.81 0.00 0.00 175.30 174.50 1ykp s GLU 176 N -2.54 0.51 -0.15 0.00 2.02 -1.26 -2.36 118.70 114.91 1ykp s GLU 176 Ca 0.18 -0.47 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1ykp s GLU 176 Cb -0.00 -0.40 0.07 0.00 0.10 0.00 0.00 34.13 33.89 1ykp s GLU 176 CO 0.13 0.10 0.14 0.08 0.02 0.00 0.00 175.26 175.72 1ykp s VAL 177 N -0.71 -0.19 -1.06 2.63 1.01 -0.58 -4.86 120.40 116.63 1ykp s VAL 177 Ca -0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1ykp s VAL 177 Cb -0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1ykp s VAL 177 CO 0.00 -0.14 0.83 0.47 0.00 0.00 0.00 175.10 176.26 1ykp n ASP 178 N 5.30 -6.04 0.00 3.32 10.43 -1.26 -1.86 116.55 126.44 1ykp n ASP 178 Ca -0.06 -0.82 0.00 0.00 2.57 0.00 0.00 54.79 56.48 1ykp n ASP 178 Cb 0.49 -4.19 0.00 0.00 1.84 0.00 0.00 41.12 39.27 1ykp n ASP 178 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ykp n GLY 179 N -1.51 0.11 3.71 0.44 0.00 -1.26 -4.93 105.19 101.74 1ykp n GLY 179 Ca -0.08 0.00 -0.36 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 -0.63 4.18 0.09 1.61 2.47 -0.78 -5.09 119.74 121.59 1ykp s LYS 180 Ca 0.00 -0.12 -0.33 0.00 -1.56 0.00 0.00 55.97 53.96 1ykp s LYS 180 Cb 0.00 -3.46 -0.12 0.00 -1.46 0.00 0.00 37.83 32.79 1ykp s LYS 180 CO 0.00 0.20 1.75 2.41 0.16 0.00 0.00 175.35 179.87 1ykp n THR 181 N 3.79 0.28 -4.36 3.43 -1.04 -1.26 -1.52 114.28 113.59 1ykp n THR 181 Ca -0.14 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.63 1ykp n THR 181 Cb 0.52 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 67.04 1ykp n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ykp s ALA 182 N 2.36 0.85 -0.08 2.41 0.00 -1.00 -1.92 121.76 124.38 1ykp s ALA 182 Ca 0.83 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1ykp s ALA 182 Cb -0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1ykp s ALA 182 CO 0.41 0.18 -0.20 0.71 0.00 0.00 0.00 175.76 176.86 1ykp s TYR 183 N -0.44 2.60 -0.15 0.00 1.51 0.07 -0.14 117.35 120.80 1ykp s TYR 183 Ca 0.02 -0.69 -0.17 0.00 -1.01 0.00 0.00 57.07 55.22 1ykp s TYR 183 Cb -0.05 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1ykp s TYR 183 CO 0.00 -0.20 0.45 0.50 -1.11 0.00 0.00 175.55 175.19 1ykp s ARG 184 N -0.01 4.29 -0.30 -0.62 3.52 -1.01 -1.43 118.95 123.40 1ykp s ARG 184 Ca -0.07 0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1ykp s ARG 184 Cb -0.15 -3.46 0.10 0.00 -1.56 0.00 0.00 34.95 29.88 1ykp s ARG 184 CO 0.05 0.10 0.11 0.12 -0.81 0.00 0.00 175.30 174.87 1ykp s PHE 185 N 0.82 1.07 0.05 5.12 5.36 -0.41 -2.23 117.98 127.76 1ykp s PHE 185 Ca 0.24 -1.32 -0.15 0.00 -0.96 0.00 0.00 56.93 54.74 1ykp s PHE 185 Cb -0.15 -1.33 -0.06 0.00 -0.34 0.00 0.00 43.02 41.14 1ykp s PHE 185 CO 0.09 -0.84 0.47 -0.51 -1.46 0.00 0.00 175.22 172.97 1ykp s ASP 186 N 1.84 6.86 -0.23 6.13 1.01 -1.26 -4.03 116.67 126.98 1ykp s ASP 186 Ca 0.09 1.04 -0.07 0.00 0.71 0.00 0.00 52.55 54.32 1ykp s ASP 186 Cb -0.17 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1ykp s ASP 186 CO -0.29 0.26 0.05 -0.63 0.21 0.00 0.00 175.17 174.76 1ykp s ILE 187 N -1.19 4.22 -0.30 0.77 1.01 -0.31 -4.94 121.20 120.46 1ykp s ILE 187 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 1ykp s ILE 187 Cb -0.17 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1ykp s ILE 187 CO 0.16 0.38 0.11 -0.13 0.00 0.00 0.00 174.94 175.46 1ykp s ARG 188 N 1.33 3.23 0.22 2.79 0.52 -1.26 -0.25 118.95 125.52 1ykp s ARG 188 Ca 0.05 -0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1ykp s ARG 188 Cb -0.15 -3.44 0.21 0.00 0.52 0.00 0.00 34.95 32.10 1ykp s ARG 188 CO 0.03 -0.41 1.59 0.82 0.02 0.00 0.00 175.30 177.34 1ykp h ILE 189 N 5.76 1.30 -3.13 1.52 2.04 -1.68 0.15 117.51 123.47 1ykp h ILE 189 Ca -0.32 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 63.85 1ykp h ILE 189 Cb 1.14 1.54 -0.20 0.00 -0.74 0.00 0.00 36.82 38.56 1ykp h ILE 189 CO 0.61 0.49 -0.32 -1.58 0.00 0.00 0.00 178.15 177.35 1ykp s GLN 190 N -4.25 0.62 1.06 2.37 0.74 -1.26 -4.75 119.66 114.18 1ykp s GLN 190 Ca -0.08 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1ykp s GLN 190 Cb 0.12 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.51 1ykp s GLN 190 CO 0.82 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 1ykp n GLY 191 N 1.37 -0.15 3.68 2.59 0.00 -1.26 -4.02 105.19 107.39 1ykp n GLY 191 Ca -0.21 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1ykp n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 192 N 0.00 4.21 -0.44 1.61 2.12 -1.26 -1.58 118.70 123.35 1ykp s GLU 192 Ca 0.00 2.18 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1ykp s GLU 192 Cb 0.00 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1ykp s GLU 192 CO 0.00 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 1ykp n GLY 193 N 3.96 0.70 3.63 -1.50 0.00 -1.26 -4.95 105.19 105.77 1ykp n GLY 193 Ca 0.16 -0.75 -0.56 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.77 0.87 -1.55 1.61 2.13 -0.62 -4.68 120.64 115.63 1ykp n GLU 194 Ca -0.04 0.32 -0.35 0.00 0.66 0.00 0.00 57.16 57.74 1ykp n GLU 194 Cb 0.15 -1.94 0.08 0.00 0.27 0.00 0.00 31.44 30.00 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 1.70 2.26 0.12 6.31 2.01 0.52 -4.93 115.64 123.63 1ykp s THR 195 Ca 0.92 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 1ykp s THR 195 Cb -1.09 -2.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 1ykp s THR 195 CO 0.58 -0.06 0.93 -0.69 -0.69 0.00 0.00 174.62 174.69 1ykp s VAL 196 N -1.81 4.48 0.18 3.82 1.01 -1.26 -4.94 120.40 121.88 1ykp s VAL 196 Ca 0.77 2.01 0.11 0.00 0.00 0.00 0.00 61.98 64.87 1ykp s VAL 196 Cb -0.31 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1ykp s VAL 196 CO 0.43 0.35 -0.24 -0.36 0.00 0.00 0.00 175.10 175.27 1ykp s PHE 197 N -0.16 2.31 0.26 5.22 0.08 -1.26 -4.67 117.98 119.76 1ykp s PHE 197 Ca 0.45 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 57.22 1ykp s PHE 197 Cb -0.23 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1ykp s PHE 197 CO 0.29 0.46 0.09 -0.06 -0.10 0.00 0.00 175.22 175.90 1ykp s PHE 198 N -1.52 2.89 -0.01 0.36 0.08 -0.13 -5.01 117.98 114.65 1ykp s PHE 198 Ca 0.19 -0.17 0.07 0.00 0.12 0.00 0.00 56.93 57.14 1ykp s PHE 198 Cb -0.08 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1ykp s PHE 198 CO 0.09 0.57 -0.22 0.34 -0.10 0.00 0.00 175.22 175.90 1ykp s ASP 199 N -3.75 2.59 0.00 1.36 3.68 -1.26 -4.38 116.67 114.90 1ykp s ASP 199 Ca 0.32 -0.42 0.00 0.00 2.13 0.00 0.00 52.55 54.58 1ykp s ASP 199 Cb -0.07 -0.28 0.00 0.00 -1.45 0.00 0.00 42.92 41.12 1ykp s ASP 199 CO 0.22 0.26 0.00 2.22 0.13 0.00 0.00 175.17 178.00