#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k s SER 2 N 0.00 2.83 -0.21 1.61 0.15 -1.26 -5.06 113.70 111.77 1x5k s SER 2 Ca 0.00 1.94 -0.17 0.00 0.70 0.00 0.00 55.95 58.41 1x5k s SER 2 Cb 0.00 -2.47 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1x5k s SER 2 CO 0.00 -3.11 0.55 -0.55 1.20 0.00 0.00 173.24 171.33 1x5k s SER 3 N -2.83 -0.62 0.00 5.45 0.15 -1.26 -5.17 113.70 109.43 1x5k s SER 3 Ca 0.66 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1x5k s SER 3 Cb -0.22 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1x5k s SER 3 CO 0.59 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.44 1x5k n GLY 4 N 3.23 0.57 3.15 9.45 0.00 -1.26 -5.17 105.19 115.16 1x5k n GLY 4 Ca -0.16 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5k s SER 5 N -0.46 1.26 0.18 1.61 0.01 -1.26 -5.16 113.70 109.88 1x5k s SER 5 Ca 0.00 -0.78 -0.20 0.00 1.31 0.00 0.00 55.95 56.28 1x5k s SER 5 Cb 0.00 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.30 1x5k s SER 5 CO 0.00 -0.28 0.56 -0.94 0.41 0.00 0.00 173.24 172.99 1x5k s SER 6 N -2.31 -0.39 0.00 2.44 1.04 -1.26 -5.16 113.70 108.06 1x5k s SER 6 Ca 0.03 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1x5k s SER 6 Cb -0.03 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1x5k s SER 6 CO -0.01 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1x5k n GLY 7 N -0.35 -0.71 3.98 7.32 0.00 -1.26 -5.16 105.19 109.01 1x5k n GLY 7 Ca -0.13 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1x5k n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 8 N -1.74 2.62 0.35 2.61 -4.23 -1.26 -5.12 115.64 108.87 1x5k s THR 8 Ca 0.00 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1x5k s THR 8 Cb 0.00 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1x5k s THR 8 CO 0.00 0.00 0.21 0.00 -0.54 0.00 0.00 174.62 174.29 1x5k s ALA 9 N -2.78 3.66 -0.13 3.99 0.00 -1.26 -5.07 121.76 120.17 1x5k s ALA 9 Ca 0.58 -1.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1x5k s ALA 9 Cb -0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 1x5k s ALA 9 CO 0.39 -0.02 -0.18 0.72 0.00 0.00 0.00 175.76 176.67 1x5k n HIS 10 N -1.26 0.00 -3.64 0.00 8.25 -1.26 -5.02 115.22 112.28 1x5k n HIS 10 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1x5k n HIS 10 Cb 0.61 -0.48 -0.15 0.00 1.12 0.00 0.00 29.99 31.09 1x5k n HIS 10 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1x5k s GLY 11 N -5.21 0.03 -0.34 -1.41 0.00 -1.26 -5.03 107.32 94.11 1x5k s GLY 11 Ca -0.19 0.54 -0.02 0.00 0.00 0.00 0.00 44.72 45.05 1x5k s GLY 11 CO 0.24 1.77 2.25 -1.30 0.00 0.00 0.00 173.10 176.06 1x5k n THR 12 N 5.33 2.90 0.04 0.90 -2.24 -1.26 -4.15 114.28 115.80 1x5k n THR 12 Ca -0.05 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 1x5k n THR 12 Cb 0.50 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1x5k n THR 12 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1x5k n THR 13 N 0.56 0.70 -3.15 4.28 -1.04 -1.26 -5.06 114.28 109.32 1x5k n THR 13 Ca 0.34 0.23 -0.38 0.00 -2.04 0.00 0.00 64.05 62.21 1x5k n THR 13 Cb 0.58 -1.44 -0.06 0.00 -1.82 0.00 0.00 70.33 67.59 1x5k n THR 13 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1x5k s PHE 14 N -2.00 3.78 0.39 -1.42 -0.12 -1.26 -5.08 117.98 112.28 1x5k s PHE 14 Ca 0.00 1.39 0.05 0.00 -0.05 0.00 0.00 56.93 58.33 1x5k s PHE 14 Cb 0.00 -2.60 -0.02 0.00 -0.63 0.00 0.00 43.02 39.77 1x5k s PHE 14 CO 0.00 0.49 0.20 -2.00 -0.05 0.00 0.00 175.22 173.86 1x5k s GLU 15 N -1.42 1.92 -0.08 1.99 2.12 -1.26 -4.98 118.70 116.99 1x5k s GLU 15 Ca 0.35 -2.16 -0.02 0.00 0.36 0.00 0.00 54.97 53.50 1x5k s GLU 15 Cb -0.19 -0.24 0.04 0.00 0.26 0.00 0.00 34.13 33.99 1x5k s GLU 15 CO 0.22 -0.58 0.05 -0.51 -0.54 0.00 0.00 175.26 173.89 1x5k s LEU 16 N -3.54 0.35 0.66 2.70 1.43 -1.13 -5.11 118.68 114.04 1x5k s LEU 16 Ca 0.29 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 1x5k s LEU 16 Cb 0.02 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 1x5k s LEU 16 CO 0.20 -0.25 1.17 1.33 0.23 0.00 0.00 176.35 179.03 1x5k n VAL 17 N 5.24 4.24 -2.05 -1.59 0.24 -1.26 -4.28 118.33 118.87 1x5k n VAL 17 Ca -0.05 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.34 61.39 1x5k n VAL 17 Cb 0.50 -1.34 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 1x5k n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5k s PRO 18 N -3.28 2.76 -0.10 7.34 0.04 -1.26 -4.84 135.00 135.66 1x5k s PRO 18 Ca 0.80 0.73 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1x5k s PRO 18 Cb -0.38 -4.35 0.26 0.00 0.04 0.00 0.00 34.50 30.07 1x5k s PRO 18 CO 0.43 -2.57 1.03 -2.37 0.04 0.00 0.00 177.00 173.56 1x5k n THR 19 N 7.24 1.16 -3.99 1.26 5.66 -1.26 -3.96 114.28 120.39 1x5k n THR 19 Ca 0.21 -0.51 -0.12 0.00 -3.05 0.00 0.00 64.05 60.57 1x5k n THR 19 Cb 0.51 -0.55 -0.13 0.00 -1.55 0.00 0.00 70.33 68.62 1x5k n THR 19 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x5k s SER 20 N -0.11 0.31 0.81 1.09 1.04 -1.26 -4.79 113.70 110.79 1x5k s SER 20 Ca 0.18 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 1x5k s SER 20 Cb 0.14 0.01 0.08 0.00 0.10 0.00 0.00 66.02 66.35 1x5k s SER 20 CO 0.05 -0.08 1.09 -2.16 0.98 0.00 0.00 173.24 173.12 1x5k s PRO 21 N -0.55 1.98 1.24 4.02 0.04 -1.26 -4.82 135.00 135.65 1x5k s PRO 21 Ca -0.04 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 1x5k s PRO 21 Cb -0.04 -1.87 0.30 0.00 0.04 0.00 0.00 34.50 32.93 1x5k s PRO 21 CO -0.00 -1.81 1.11 -1.25 0.04 0.00 0.00 177.00 175.09 1x5k s PRO 22 N -4.91 -1.55 0.40 0.56 0.04 -1.26 -4.49 135.00 123.80 1x5k s PRO 22 Ca 0.62 -0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.53 1x5k s PRO 22 Cb -0.17 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1x5k s PRO 22 CO 0.56 -3.91 0.14 0.15 0.04 0.00 0.00 177.00 173.99 1x5k s LYS 23 N -5.49 1.92 -1.35 4.56 1.02 -0.42 -4.82 119.74 115.17 1x5k s LYS 23 Ca 0.72 -2.17 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 1x5k s LYS 23 Cb -0.08 -0.52 0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1x5k s LYS 23 CO 0.56 -0.50 0.43 -3.47 -0.92 0.00 0.00 175.35 171.45 1x5k n ASP 24 N -1.34 -4.55 -4.64 2.83 2.03 -1.26 -0.39 116.55 109.21 1x5k n ASP 24 Ca -0.05 -0.25 -0.43 0.00 0.52 0.00 0.00 54.79 54.58 1x5k n ASP 24 Cb 0.65 -3.75 -0.02 0.00 -0.72 0.00 0.00 41.12 37.28 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5k s VAL 25 N -2.96 4.02 0.02 5.18 1.01 -1.26 -3.77 120.40 122.64 1x5k s VAL 25 Ca 0.29 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.48 1x5k s VAL 25 Cb -0.15 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1x5k s VAL 25 CO 0.36 -0.26 -0.06 0.42 0.00 0.00 0.00 175.10 175.56 1x5k s THR 26 N 4.21 0.39 -0.22 3.92 -4.23 -0.10 -5.01 115.64 114.61 1x5k s THR 26 Ca 0.61 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1x5k s THR 26 Cb -0.22 -0.44 0.06 0.00 1.34 0.00 0.00 72.50 73.24 1x5k s THR 26 CO 0.22 -0.24 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.37 1x5k s VAL 27 N -0.96 1.04 0.41 2.29 1.01 -1.26 -1.28 120.40 121.64 1x5k s VAL 27 Ca -0.07 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1x5k s VAL 27 Cb -0.07 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 34.79 1x5k s VAL 27 CO -0.00 -0.19 0.04 0.68 0.00 0.00 0.00 175.10 175.62 1x5k s VAL 28 N 1.62 2.04 0.47 2.92 -7.23 0.08 -4.99 120.40 115.31 1x5k s VAL 28 Ca -0.02 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1x5k s VAL 28 Cb -0.18 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.79 1x5k s VAL 28 CO -0.08 0.00 0.68 -0.44 -0.31 0.00 0.00 175.10 174.95 1x5k s SER 29 N -3.74 5.61 0.22 4.85 0.01 -1.26 -0.11 113.70 119.27 1x5k s SER 29 Ca 0.36 0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.56 1x5k s SER 29 Cb 0.09 -1.14 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 1x5k s SER 29 CO 0.19 -0.85 0.52 -0.75 0.41 0.00 0.00 173.24 172.76 1x5k s LYS 30 N -4.57 3.77 -0.55 12.44 2.20 -0.11 -4.56 119.74 128.36 1x5k s LYS 30 Ca 0.52 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 56.07 1x5k s LYS 30 Cb -0.10 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1x5k s LYS 30 CO 0.37 0.34 1.16 -2.00 -0.36 0.00 0.00 175.35 174.86 1x5k s GLU 31 N -2.81 3.56 0.00 4.03 2.12 -1.26 -3.71 118.70 120.63 1x5k s GLU 31 Ca 0.46 0.31 0.00 0.00 0.36 0.00 0.00 54.97 56.10 1x5k s GLU 31 Cb -0.11 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.29 1x5k s GLU 31 CO 0.22 -1.59 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 1x5k n GLY 32 N 5.01 3.29 3.29 -1.50 0.00 -1.26 -5.04 105.19 108.97 1x5k n GLY 32 Ca 0.09 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1x5k n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 33 N 0.00 3.29 0.04 1.61 2.36 -1.24 -5.02 119.74 120.78 1x5k s LYS 33 Ca 0.00 -0.69 -0.20 0.00 -2.55 0.00 0.00 55.97 52.52 1x5k s LYS 33 Cb 0.00 -2.79 -0.14 0.00 -1.05 0.00 0.00 37.83 33.85 1x5k s LYS 33 CO 0.00 -0.07 1.35 -1.00 1.55 0.00 0.00 175.35 177.18 1x5k h PRO 34 N 7.62 0.35 -0.75 4.03 0.13 -1.90 -3.23 132.00 138.26 1x5k h PRO 34 Ca -0.37 -0.18 0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1x5k h PRO 34 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1x5k h PRO 34 CO 0.59 0.73 0.40 0.87 -0.23 0.00 0.00 178.00 180.37 1x5k h LYS 35 N -0.02 0.67 -6.51 0.86 1.57 -1.93 -3.41 116.57 107.79 1x5k h LYS 35 Ca 0.02 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1x5k h LYS 35 Cb 0.66 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1x5k h LYS 35 CO 0.03 0.44 0.65 0.99 -0.57 0.00 0.00 179.45 180.99 1x5k s THR 36 N -6.05 3.66 0.10 -0.16 2.01 -1.22 -4.32 115.64 109.65 1x5k s THR 36 Ca -0.13 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.08 1x5k s THR 36 Cb 0.18 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1x5k s THR 36 CO 0.77 0.09 -0.07 0.27 -0.69 0.00 0.00 174.62 174.99 1x5k s ILE 37 N 1.10 0.70 -0.10 1.82 -4.36 -0.08 -0.93 121.20 119.34 1x5k s ILE 37 Ca 0.62 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 59.11 1x5k s ILE 37 Cb -0.33 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.71 1x5k s ILE 37 CO 0.30 -0.87 -0.21 -0.63 0.24 0.00 0.00 174.94 173.77 1x5k s ILE 38 N -3.59 1.89 -0.36 8.37 1.09 0.84 -2.11 121.20 127.32 1x5k s ILE 38 Ca 0.12 -0.91 -0.00 0.00 -1.10 0.00 0.00 60.65 58.76 1x5k s ILE 38 Cb 0.05 -1.65 0.09 0.00 -1.06 0.00 0.00 42.46 39.89 1x5k s ILE 38 CO -0.05 0.52 0.11 -0.69 -0.10 0.00 0.00 174.94 174.73 1x5k s VAL 39 N 0.53 2.86 0.31 2.92 1.01 -1.00 -0.74 120.40 126.29 1x5k s VAL 39 Ca -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 61.98 59.77 1x5k s VAL 39 Cb -0.17 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1x5k s VAL 39 CO 0.05 -0.53 0.56 0.20 0.00 0.00 0.00 175.10 175.38 1x5k s ASN 40 N 1.40 6.41 0.15 3.32 0.01 -0.41 -2.96 114.94 122.87 1x5k s ASN 40 Ca 0.06 0.68 -0.13 0.00 -0.71 0.00 0.00 52.86 52.75 1x5k s ASN 40 Cb -0.21 -2.13 0.05 0.00 0.41 0.00 0.00 41.25 39.37 1x5k s ASN 40 CO -0.05 -0.23 0.66 -2.67 -1.51 0.00 0.00 177.10 173.29 1x5k n TRP 41 N -1.15 -1.28 -3.83 2.20 2.14 -0.72 -0.93 117.44 113.87 1x5k n TRP 41 Ca -0.02 -0.94 -0.09 0.00 2.07 0.00 0.00 57.50 58.52 1x5k n TRP 41 Cb 0.54 0.46 -0.07 0.00 -0.81 0.00 0.00 31.31 31.43 1x5k n TRP 41 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1x5k s GLN 42 N -2.04 0.85 0.53 -2.67 -0.21 0.47 -4.82 119.66 111.77 1x5k s GLN 42 Ca 0.14 -0.87 -0.20 0.00 0.02 0.00 0.00 55.36 54.46 1x5k s GLN 42 Cb -0.02 0.35 -0.06 0.00 1.00 0.00 0.00 33.01 34.28 1x5k s GLN 42 CO 0.05 -0.27 1.13 -1.25 -2.12 0.00 0.00 175.29 172.83 1x5k s PRO 43 N -3.63 3.41 0.53 2.91 0.04 -1.26 -1.30 135.00 135.70 1x5k s PRO 43 Ca 0.03 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 1x5k s PRO 43 Cb 0.04 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1x5k s PRO 43 CO -0.10 -0.80 1.14 -1.25 0.04 0.00 0.00 177.00 176.02 1x5k s PRO 44 N -3.21 3.42 0.13 0.56 0.04 -1.26 -4.47 135.00 130.21 1x5k s PRO 44 Ca 0.72 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 1x5k s PRO 44 Cb -0.24 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1x5k s PRO 44 CO 0.28 -0.80 1.65 1.03 0.04 0.00 0.00 177.00 179.20 1x5k h SER 45 N 1.34 -0.66 -0.80 6.66 0.87 -1.95 -2.49 113.55 116.52 1x5k h SER 45 Ca -0.50 0.11 0.13 0.00 -1.23 0.00 0.00 61.79 60.29 1x5k h SER 45 Cb 1.26 0.29 -0.13 0.00 -0.44 0.00 0.00 62.40 63.38 1x5k h SER 45 CO 0.57 -0.27 -0.31 -0.62 -0.53 0.00 0.00 176.83 175.68 1x5k n GLU 46 N -5.35 -0.18 -3.84 2.24 -0.58 -1.26 -4.73 120.64 106.94 1x5k n GLU 46 Ca -0.03 1.24 -0.25 0.00 -0.42 0.00 0.00 57.16 57.70 1x5k n GLU 46 Cb 0.26 -1.83 -0.05 0.00 -0.57 0.00 0.00 31.44 29.25 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5k n ALA 47 N -3.58 -1.82 -0.75 0.62 0.00 -0.94 -4.69 120.51 109.35 1x5k n ALA 47 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1x5k n ALA 47 Cb 0.32 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1x5k n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x5k n ASN 48 N -1.80 4.15 0.00 0.00 3.02 -1.26 -4.77 115.26 114.60 1x5k n ASN 48 Ca -0.20 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1x5k n ASN 48 Cb 0.47 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1x5k n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5k n GLY 49 N 2.50 1.82 3.59 7.41 0.00 -1.26 -2.83 105.19 116.42 1x5k n GLY 49 Ca 0.30 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1x5k n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 50 N -1.96 3.74 0.35 1.61 2.20 -1.26 -5.02 119.74 119.39 1x5k s LYS 50 Ca 0.00 0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 55.73 1x5k s LYS 50 Cb 0.00 -3.84 -0.10 0.00 -1.51 0.00 0.00 37.83 32.38 1x5k s LYS 50 CO 0.00 -0.99 1.29 0.42 -0.36 0.00 0.00 175.35 175.71 1x5k s ILE 51 N 3.44 2.75 -0.11 5.43 -1.09 -1.26 -3.33 121.20 127.04 1x5k s ILE 51 Ca 0.36 0.74 0.03 0.00 -2.23 0.00 0.00 60.65 59.55 1x5k s ILE 51 Cb -0.12 -3.46 -0.09 0.00 -1.58 0.00 0.00 42.46 37.22 1x5k s ILE 51 CO 0.20 0.16 -0.06 0.35 -1.23 0.00 0.00 174.94 174.36 1x5k n THR 52 N 0.66 0.65 -2.62 2.92 -2.24 -0.28 -4.90 114.28 108.47 1x5k n THR 52 Ca 0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1x5k n THR 52 Cb 0.42 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1x5k n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5k n GLY 53 N 2.79 2.19 3.40 3.38 0.00 -1.18 -3.03 105.19 112.74 1x5k n GLY 53 Ca -0.19 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1x5k n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5k s TYR 54 N -4.80 -0.50 -0.08 1.61 1.51 -1.25 -2.69 117.35 111.14 1x5k s TYR 54 Ca 0.00 1.11 0.01 0.00 -1.01 0.00 0.00 57.07 57.18 1x5k s TYR 54 Cb 0.00 0.21 -0.03 0.00 -0.11 0.00 0.00 41.96 42.04 1x5k s TYR 54 CO 0.00 -0.35 -0.10 0.42 -1.11 0.00 0.00 175.55 174.40 1x5k s ILE 55 N -0.31 3.40 -0.07 2.71 1.01 -0.41 -0.49 121.20 127.05 1x5k s ILE 55 Ca -0.05 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1x5k s ILE 55 Cb -0.03 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1x5k s ILE 55 CO 0.03 0.58 -0.13 -0.63 0.00 0.00 0.00 174.94 174.78 1x5k s ILE 56 N -0.50 3.11 -0.10 2.92 1.01 -0.11 -0.59 121.20 126.94 1x5k s ILE 56 Ca 0.07 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1x5k s ILE 56 Cb -0.12 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.12 1x5k s ILE 56 CO 0.02 0.58 -0.15 -0.31 0.00 0.00 0.00 174.94 175.08 1x5k s TYR 57 N -0.49 1.91 0.00 3.97 1.51 -0.51 0.06 117.35 123.79 1x5k s TYR 57 Ca 0.07 -0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 55.24 1x5k s TYR 57 Cb -0.12 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1x5k s TYR 57 CO 0.02 -0.46 0.01 1.52 -1.11 0.00 0.00 175.55 175.53 1x5k s TYR 58 N 0.97 0.07 0.02 2.71 -0.85 -1.24 0.03 117.35 119.06 1x5k s TYR 58 Ca -0.07 -0.15 -0.28 0.00 -0.52 0.00 0.00 57.07 56.06 1x5k s TYR 58 Cb -0.15 -0.06 0.09 0.00 0.38 0.00 0.00 41.96 42.22 1x5k s TYR 58 CO -0.01 -0.08 0.77 0.45 -1.52 0.00 0.00 175.55 175.16 1x5k s SER 59 N -0.51 -0.49 0.00 -0.18 0.15 -1.13 -3.04 113.70 108.50 1x5k s SER 59 Ca -0.06 0.21 0.26 0.00 0.70 0.00 0.00 55.95 57.06 1x5k s SER 59 Cb -0.04 0.48 1.56 0.00 -1.71 0.00 0.00 66.02 66.31 1x5k s SER 59 CO -0.00 -0.69 1.95 0.35 1.20 0.00 0.00 173.24 176.04 1x5k n THR 60 N 0.09 0.00 -4.12 6.45 -2.24 -1.26 -3.59 114.28 109.61 1x5k n THR 60 Ca -0.14 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 1x5k n THR 60 Cb 0.61 -0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 68.18 1x5k n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5k s ASP 61 N -1.91 3.15 0.05 3.42 -1.08 -1.26 -4.99 116.67 114.05 1x5k s ASP 61 Ca 0.39 -0.65 0.04 0.00 -0.52 0.00 0.00 52.55 51.81 1x5k s ASP 61 Cb 0.18 -1.48 -0.24 0.00 -1.46 0.00 0.00 42.92 39.92 1x5k s ASP 61 CO 0.30 -0.00 1.03 1.62 0.52 0.00 0.00 175.17 178.64 1x5k h VAL 62 N 5.94 1.37 -0.34 1.11 3.04 -1.97 -3.26 116.25 122.14 1x5k h VAL 62 Ca -0.46 -3.07 0.00 0.00 -1.01 0.00 0.00 66.70 62.16 1x5k h VAL 62 Cb 1.14 2.75 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 1x5k h VAL 62 CO 0.64 0.83 0.00 0.59 -1.01 0.00 0.00 177.57 178.62 1x5k n ASN 63 N -3.34 2.60 -4.80 3.17 3.02 -1.26 -4.90 115.26 109.75 1x5k n ASN 63 Ca -0.09 -2.20 -0.37 0.00 -0.03 0.00 0.00 54.58 51.89 1x5k n ASN 63 Cb 1.00 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k s ALA 64 N -1.66 3.42 0.26 5.41 0.00 -1.23 -5.01 121.76 122.95 1x5k s ALA 64 Ca 0.26 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 1x5k s ALA 64 Cb 0.17 -2.86 -0.13 0.00 0.00 0.00 0.00 23.12 20.30 1x5k s ALA 64 CO 0.13 0.32 1.50 0.39 0.00 0.00 0.00 175.76 178.10 1x5k n GLU 65 N 0.95 2.35 -0.45 0.00 4.71 -1.26 -4.82 120.64 122.12 1x5k n GLU 65 Ca -0.03 0.84 0.37 0.00 -0.01 0.00 0.00 57.16 58.32 1x5k n GLU 65 Cb 0.50 -2.56 0.66 0.00 -1.01 0.00 0.00 31.44 29.03 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1x5k h ILE 66 N 3.21 0.16 -0.81 -3.67 6.09 -1.95 1.04 117.51 121.57 1x5k h ILE 66 Ca -0.46 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 62.96 1x5k h ILE 66 Cb 1.25 0.05 -0.04 0.00 0.47 0.00 0.00 36.82 38.56 1x5k h ILE 66 CO 0.78 0.02 0.38 1.12 -3.07 0.00 0.00 178.15 177.37 1x5k h HIS 67 N 0.10 1.19 -0.29 2.19 2.07 -2.01 -2.33 115.15 116.07 1x5k h HIS 67 Ca 0.80 -0.07 -0.03 0.00 -2.85 0.00 0.00 60.37 58.22 1x5k h HIS 67 Cb 2.56 -0.37 -0.02 0.00 2.57 0.00 0.00 27.41 32.16 1x5k h HIS 67 CO -0.00 0.87 0.07 0.22 -3.07 0.00 0.00 177.93 176.01 1x5k h ASP 68 N 1.16 0.38 -3.14 3.10 1.82 0.79 -3.43 116.42 117.11 1x5k h ASP 68 Ca 0.28 -0.05 -0.54 0.00 -0.39 0.00 0.00 57.03 56.34 1x5k h ASP 68 Cb 0.14 -0.10 0.08 0.00 0.68 0.00 0.00 39.33 40.13 1x5k h ASP 68 CO -0.03 0.40 0.88 0.79 -1.61 0.00 0.00 179.24 179.67 1x5k n TRP 69 N -4.37 2.79 -1.73 0.28 7.02 -0.88 -4.93 117.44 115.62 1x5k n TRP 69 Ca 0.01 0.23 -0.37 0.00 -1.02 0.00 0.00 57.50 56.35 1x5k n TRP 69 Cb 0.17 -2.60 0.07 0.00 -2.42 0.00 0.00 31.31 26.53 1x5k n TRP 69 CO 0.00 0.00 0.00 1.55 -2.02 0.00 0.00 177.69 177.22 1x5k n VAL 70 N 2.40 4.81 -3.71 -0.99 3.14 -1.17 -4.85 118.33 117.97 1x5k n VAL 70 Ca 0.10 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.60 1x5k n VAL 70 Cb 0.36 -1.52 -0.12 0.00 -1.06 0.00 0.00 33.84 31.50 1x5k n VAL 70 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1x5k s ILE 71 N -1.37 4.32 -0.66 1.55 1.01 -1.26 -3.62 121.20 121.18 1x5k s ILE 71 Ca 0.81 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1x5k s ILE 71 Cb -0.39 -3.18 0.16 0.00 0.01 0.00 0.00 42.46 39.06 1x5k s ILE 71 CO 0.41 0.11 0.45 -1.61 0.00 0.00 0.00 174.94 174.31 1x5k s GLU 72 N 1.57 2.45 0.32 2.79 0.41 0.11 -4.96 118.70 121.38 1x5k s GLU 72 Ca 0.04 -2.95 -0.29 0.00 -0.41 0.00 0.00 54.97 51.36 1x5k s GLU 72 Cb -0.17 -3.53 -0.10 0.00 -1.78 0.00 0.00 34.13 28.56 1x5k s GLU 72 CO 0.04 -1.20 1.22 -1.25 -0.49 0.00 0.00 175.26 173.58 1x5k s PRO 73 N -0.80 4.44 -0.09 0.39 0.04 -1.26 -0.93 135.00 136.79 1x5k s PRO 73 Ca 0.21 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 1x5k s PRO 73 Cb -0.15 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1x5k s PRO 73 CO -0.08 -0.05 -0.05 0.08 0.04 0.00 0.00 177.00 176.94 1x5k s VAL 74 N -1.16 3.83 0.30 -0.36 1.01 0.36 -4.95 120.40 119.42 1x5k s VAL 74 Ca 0.48 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1x5k s VAL 74 Cb -0.36 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1x5k s VAL 74 CO 0.48 0.58 0.29 0.68 0.00 0.00 0.00 175.10 177.12 1x5k s VAL 75 N -0.54 4.06 -1.36 2.92 -7.23 -1.26 -3.92 120.40 113.07 1x5k s VAL 75 Ca 0.08 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1x5k s VAL 75 Cb -0.12 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1x5k s VAL 75 CO 0.02 -0.25 0.51 0.61 -0.31 0.00 0.00 175.10 175.68 1x5k n GLY 76 N -1.34 -0.36 4.06 2.32 0.00 -1.26 -3.08 105.19 105.53 1x5k n GLY 76 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1x5k n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5k n ASN 77 N -1.91 -1.17 -4.77 1.61 6.94 -1.17 -4.87 115.26 109.92 1x5k n ASN 77 Ca -0.10 -1.12 -0.39 0.00 -0.02 0.00 0.00 54.58 52.95 1x5k n ASN 77 Cb 0.61 -1.36 -0.06 0.00 -2.36 0.00 0.00 39.78 36.61 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1x5k s ARG 78 N -6.96 4.49 0.00 -3.83 6.06 -1.18 -4.95 118.95 112.58 1x5k s ARG 78 Ca 0.20 1.05 0.22 0.00 -2.50 0.00 0.00 55.73 54.70 1x5k s ARG 78 Cb -0.11 -3.30 0.63 0.00 0.06 0.00 0.00 34.95 32.23 1x5k s ARG 78 CO 0.85 0.46 1.49 1.28 -2.50 0.00 0.00 175.30 176.89 1x5k n LEU 79 N 2.11 2.30 -3.98 -0.88 4.77 -1.26 -4.70 117.00 115.35 1x5k n LEU 79 Ca -0.05 -0.95 -0.11 0.00 -0.03 0.00 0.00 56.01 54.87 1x5k n LEU 79 Cb 0.50 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1x5k n LEU 79 CO 0.46 0.47 -0.37 0.28 -1.33 0.00 0.00 177.39 176.90 1x5k s THR 80 N -1.72 0.21 -0.01 -5.08 -1.32 -1.26 -1.76 115.64 104.69 1x5k s THR 80 Ca 0.34 -0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 60.01 1x5k s THR 80 Cb 0.19 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.87 1x5k s THR 80 CO 0.28 -0.38 0.02 -2.28 -2.21 0.00 0.00 174.62 170.06 1x5k s HIS 81 N -1.19 -0.02 -0.16 9.09 2.46 -1.16 -4.99 115.29 119.32 1x5k s HIS 81 Ca -0.12 0.06 -0.06 0.00 0.47 0.00 0.00 55.06 55.41 1x5k s HIS 81 Cb -0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.34 1x5k s HIS 81 CO -0.01 -0.01 0.04 -0.65 -2.47 0.00 0.00 174.74 171.64 1x5k s GLN 82 N 0.01 3.75 -0.07 2.88 -0.21 -1.26 -2.37 119.66 122.39 1x5k s GLN 82 Ca -0.00 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.02 1x5k s GLN 82 Cb -0.00 -3.10 0.02 0.00 1.00 0.00 0.00 33.01 30.93 1x5k s GLN 82 CO 0.00 0.36 -0.07 0.42 -2.12 0.00 0.00 175.29 173.89 1x5k s ILE 83 N 0.09 0.80 0.34 1.08 1.01 -0.90 -4.97 121.20 118.66 1x5k s ILE 83 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1x5k s ILE 83 Cb -0.12 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1x5k s ILE 83 CO 0.01 0.30 0.06 0.00 0.00 0.00 0.00 174.94 175.32 1x5k n GLN 84 N 4.34 0.84 -3.13 2.79 10.64 -1.26 -0.91 117.38 130.69 1x5k n GLN 84 Ca -0.19 -2.71 -0.14 0.00 -1.83 0.00 0.00 57.00 52.13 1x5k n GLN 84 Cb 0.51 1.14 0.07 0.00 -0.86 0.00 0.00 30.24 31.10 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1x5k n GLU 85 N -0.81 -5.26 -4.56 2.61 1.02 -1.26 -4.90 120.64 107.47 1x5k n GLU 85 Ca -0.09 0.67 -0.28 0.00 -0.02 0.00 0.00 57.16 57.44 1x5k n GLU 85 Cb 0.48 -5.17 -0.10 0.00 -0.02 0.00 0.00 31.44 26.63 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5k s LEU 86 N -5.46 2.83 0.51 -4.62 1.43 -1.26 -5.11 118.68 107.00 1x5k s LEU 86 Ca 0.00 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.57 1x5k s LEU 86 Cb -0.00 -0.95 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 1x5k s LEU 86 CO 0.58 -0.53 0.98 -0.89 0.23 0.00 0.00 176.35 176.72 1x5k s THR 87 N -2.72 4.54 0.30 5.49 2.01 -1.26 -4.80 115.64 119.20 1x5k s THR 87 Ca 0.32 1.19 0.07 0.00 0.31 0.00 0.00 61.69 63.58 1x5k s THR 87 Cb 0.08 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1x5k s THR 87 CO 0.17 -0.69 0.29 -0.76 -0.69 0.00 0.00 174.62 172.93 1x5k s LEU 88 N -4.08 3.79 -1.54 4.42 1.43 -1.26 -4.57 118.68 116.88 1x5k s LEU 88 Ca 0.59 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1x5k s LEU 88 Cb -0.10 -2.39 0.07 0.00 0.03 0.00 0.00 46.19 43.80 1x5k s LEU 88 CO 0.32 -0.22 0.61 -0.67 0.23 0.00 0.00 176.35 176.61 1x5k n ASP 89 N -1.34 -1.89 -3.78 2.29 -0.08 -1.24 -4.96 116.55 105.55 1x5k n ASP 89 Ca -0.04 -0.99 -0.13 0.00 -1.51 0.00 0.00 54.79 52.11 1x5k n ASP 89 Cb 0.59 -2.98 -0.14 0.00 2.34 0.00 0.00 41.12 40.93 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5k s THR 90 N -3.64 -0.03 -0.58 5.18 2.01 -1.26 -5.00 115.64 112.31 1x5k s THR 90 Ca 0.36 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.22 1x5k s THR 90 Cb -0.19 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1x5k s THR 90 CO 0.90 0.05 1.84 -2.16 -0.69 0.00 0.00 174.62 174.57 1x5k s PRO 91 N 0.81 2.71 -0.11 4.92 0.04 -1.26 -3.56 135.00 138.55 1x5k s PRO 91 Ca -0.06 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 1x5k s PRO 91 Cb -0.08 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 1x5k s PRO 91 CO -0.04 -2.63 0.08 0.71 0.04 0.00 0.00 177.00 175.17 1x5k s TYR 92 N 8.79 3.40 -0.10 0.56 1.51 -1.19 -4.89 117.35 125.43 1x5k s TYR 92 Ca 0.68 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 57.08 1x5k s TYR 92 Cb -0.13 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1x5k s TYR 92 CO 0.22 0.57 -0.04 0.71 -1.11 0.00 0.00 175.55 175.91 1x5k s TYR 93 N -0.82 3.02 0.26 2.71 1.51 -1.24 -1.13 117.35 121.66 1x5k s TYR 93 Ca 0.13 -0.03 0.11 0.00 -1.01 0.00 0.00 57.07 56.27 1x5k s TYR 93 Cb -0.12 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 1x5k s TYR 93 CO 0.03 0.26 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.49 1x5k s PHE 94 N -0.48 2.10 -0.00 2.71 0.40 -0.55 -2.85 117.98 119.31 1x5k s PHE 94 Ca 0.08 -0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 1x5k s PHE 94 Cb -0.12 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.48 1x5k s PHE 94 CO 0.02 0.60 0.17 0.15 0.70 0.00 0.00 175.22 176.86 1x5k s LYS 95 N -3.56 0.52 0.01 0.44 1.02 0.10 -0.55 119.74 117.74 1x5k s LYS 95 Ca 0.28 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 55.96 1x5k s LYS 95 Cb -0.03 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1x5k s LYS 95 CO 0.12 -0.13 -0.14 0.42 -0.92 0.00 0.00 175.35 174.70 1x5k s ILE 96 N -1.37 1.13 0.02 2.17 1.01 -1.26 -1.43 121.20 121.48 1x5k s ILE 96 Ca -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1x5k s ILE 96 Cb -0.07 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1x5k s ILE 96 CO 0.02 0.18 -0.04 -1.58 0.00 0.00 0.00 174.94 173.53 1x5k s GLN 97 N -0.71 0.31 -0.03 2.79 0.74 0.24 -3.80 119.66 119.20 1x5k s GLN 97 Ca 0.04 -0.53 0.05 0.00 0.05 0.00 0.00 55.36 54.98 1x5k s GLN 97 Cb -0.07 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 34.01 1x5k s GLN 97 CO 0.00 -0.02 -0.18 0.00 -0.55 0.00 0.00 175.29 174.54 1x5k s ALA 98 N -1.16 2.51 0.03 1.58 0.00 -1.26 -1.29 121.76 122.16 1x5k s ALA 98 Ca -0.12 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1x5k s ALA 98 Cb -0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1x5k s ALA 98 CO -0.01 0.55 -0.05 -0.98 0.00 0.00 0.00 175.76 175.28 1x5k s ARG 99 N -0.80 0.40 0.47 0.00 1.70 -1.10 -2.68 118.95 116.95 1x5k s ARG 99 Ca 0.11 -0.69 0.04 0.00 -0.47 0.00 0.00 55.73 54.72 1x5k s ARG 99 Cb -0.10 -0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 1x5k s ARG 99 CO 0.01 -0.02 0.01 0.54 -1.08 0.00 0.00 175.30 174.76 1x5k s ASN 100 N -1.57 4.00 0.61 -2.89 2.20 0.17 -1.12 114.94 116.33 1x5k s ASN 100 Ca -0.13 -1.54 0.24 0.00 -0.94 0.00 0.00 52.86 50.50 1x5k s ASN 100 Cb -0.09 0.14 0.88 0.00 -2.00 0.00 0.00 41.25 40.17 1x5k s ASN 100 CO -0.01 -0.68 1.32 -1.28 -2.94 0.00 0.00 177.10 173.51 1x5k h SER 101 N 1.54 0.00 0.00 3.54 0.87 -1.90 -1.49 113.55 116.10 1x5k h SER 101 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1x5k h SER 101 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1x5k h SER 101 CO 0.77 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 177.36 1x5k n LYS 102 N -3.20 0.00 -0.76 2.24 4.01 -1.26 -5.09 118.16 114.10 1x5k n LYS 102 Ca 0.19 0.40 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 1x5k n LYS 102 Cb 1.40 -0.90 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5k n GLY 103 N 2.09 1.92 3.95 0.72 0.00 -0.56 -5.11 105.19 108.20 1x5k n GLY 103 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1x5k n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5k s MET 104 N -0.82 2.85 0.00 1.61 1.00 -1.26 -0.66 119.30 122.02 1x5k s MET 104 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 55.69 54.46 1x5k s MET 104 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 34.83 32.17 1x5k s MET 104 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 175.02 175.35 1x5k n GLY 105 N -1.64 4.06 0.00 -0.03 0.00 -1.09 -4.79 105.19 101.70 1x5k n GLY 105 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1x5k n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5k n PRO 106 N 0.00 0.16 -5.11 1.61 -0.04 -1.26 -4.95 135.00 125.42 1x5k n PRO 106 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1x5k n PRO 106 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 1x5k n PRO 106 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1x5k s MET 107 N -1.25 2.33 1.03 0.54 -1.94 -1.26 -4.80 119.30 113.96 1x5k s MET 107 Ca 0.00 -0.82 -0.17 0.00 -1.71 0.00 0.00 55.69 53.00 1x5k s MET 107 Cb 0.00 -2.21 0.22 0.00 2.01 0.00 0.00 34.83 34.85 1x5k s MET 107 CO 0.00 0.58 1.24 0.45 -0.01 0.00 0.00 175.02 177.28 1x5k s SER 108 N -0.64 2.47 0.18 3.03 0.15 -1.25 -4.91 113.70 112.74 1x5k s SER 108 Ca 0.10 0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 1x5k s SER 108 Cb -0.11 -0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 63.53 1x5k s SER 108 CO -0.00 -3.15 1.08 -1.61 1.20 0.00 0.00 173.24 170.76 1x5k s GLU 109 N -5.69 4.63 -0.22 5.44 2.02 -1.26 -4.88 118.70 118.73 1x5k s GLU 109 Ca 0.72 1.68 -0.33 0.00 0.02 0.00 0.00 54.97 57.07 1x5k s GLU 109 Cb -0.07 -3.28 -0.10 0.00 0.10 0.00 0.00 34.13 30.79 1x5k s GLU 109 CO 0.54 0.13 2.09 0.00 0.02 0.00 0.00 175.26 178.04 1x5k n ALA 110 N 2.24 1.20 -2.75 5.21 0.00 -1.26 -4.80 120.51 120.35 1x5k n ALA 110 Ca 0.02 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1x5k n ALA 110 Cb 0.46 -2.63 -0.04 0.00 0.00 0.00 0.00 19.45 17.24 1x5k n ALA 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5k s VAL 111 N 6.45 4.36 -0.18 0.00 1.01 0.29 -4.83 120.40 127.50 1x5k s VAL 111 Ca 1.01 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1x5k s VAL 111 Cb -0.66 -4.61 -0.01 0.00 0.00 0.00 0.00 36.38 31.11 1x5k s VAL 111 CO 0.46 -1.29 1.14 -1.58 0.00 0.00 0.00 175.10 173.84 1x5k s GLN 112 N 4.01 4.27 -0.09 2.72 0.74 -1.26 -1.48 119.66 128.57 1x5k s GLN 112 Ca 0.26 1.51 -0.01 0.00 0.05 0.00 0.00 55.36 57.17 1x5k s GLN 112 Cb -0.15 -3.67 0.03 0.00 1.10 0.00 0.00 33.01 30.32 1x5k s GLN 112 CO 0.15 -0.62 0.00 0.12 -0.55 0.00 0.00 175.29 174.39 1x5k s PHE 113 N 3.13 0.77 0.00 1.67 5.36 -0.28 -5.00 117.98 123.62 1x5k s PHE 113 Ca 0.50 -0.29 -0.30 0.00 -0.96 0.00 0.00 56.93 55.88 1x5k s PHE 113 Cb -0.19 -0.86 -0.05 0.00 -0.34 0.00 0.00 43.02 41.58 1x5k s PHE 113 CO 0.12 -0.37 1.35 0.50 -1.46 0.00 0.00 175.22 175.35 1x5k s ARG 114 N 1.94 4.31 0.60 10.12 3.52 -1.26 -3.18 118.95 135.00 1x5k s ARG 114 Ca 0.04 1.91 -0.18 0.00 -0.13 0.00 0.00 55.73 57.37 1x5k s ARG 114 Cb -0.13 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1x5k s ARG 114 CO -0.06 -0.52 1.16 0.95 -0.81 0.00 0.00 175.30 176.03 1x5k s THR 115 N 2.16 2.91 0.00 4.11 -4.23 -1.23 -5.01 115.64 114.34 1x5k s THR 115 Ca 0.62 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1x5k s THR 115 Cb -0.30 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1x5k s THR 115 CO 0.26 -0.16 0.00 -0.81 -0.54 0.00 0.00 174.62 173.37 1x5k n PRO 116 N -1.77 0.23 -3.93 3.99 -0.04 -1.26 -4.12 135.00 128.09 1x5k n PRO 116 Ca 0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1x5k n PRO 116 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 1x5k n PRO 116 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 117 N -1.14 0.44 0.00 0.54 -0.14 -1.26 -3.69 119.74 114.49 1x5k s LYS 117 Ca 0.00 -0.57 -0.03 0.00 -1.36 0.00 0.00 55.97 54.01 1x5k s LYS 117 Cb 0.00 0.17 -0.12 0.00 -1.68 0.00 0.00 37.83 36.20 1x5k s LYS 117 CO 0.00 -0.09 2.64 0.00 -0.76 0.00 0.00 175.35 177.14 1x5k n ALA 118 N 1.35 4.92 -1.38 5.17 0.00 -1.26 -4.87 120.51 124.44 1x5k n ALA 118 Ca -0.22 -0.83 -0.50 0.00 0.00 0.00 0.00 53.44 51.88 1x5k n ALA 118 Cb 0.56 -1.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 1x5k n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5k n SER 119 N 2.01 -0.70 0.00 0.00 2.88 -1.26 -4.94 113.62 111.61 1x5k n SER 119 Ca 0.20 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1x5k n SER 119 Cb 0.66 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1x5k n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5k n GLY 120 N 1.71 -0.82 3.77 0.46 0.00 -1.26 -4.88 105.19 104.17 1x5k n GLY 120 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1x5k n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 121 N 0.00 3.17 0.85 1.61 0.04 -1.26 -5.04 135.00 134.36 1x5k s PRO 121 Ca 0.00 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 1x5k s PRO 121 Cb 0.00 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1x5k s PRO 121 CO 0.00 -0.98 1.21 -1.54 0.04 0.00 0.00 177.00 175.73 1x5k s SER 122 N -2.06 4.15 -0.49 6.66 1.04 -1.26 -4.96 113.70 116.78 1x5k s SER 122 Ca 0.71 0.67 -0.28 0.00 0.48 0.00 0.00 55.95 57.53 1x5k s SER 122 Cb -0.23 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1x5k s SER 122 CO 0.32 -2.12 1.53 -0.55 0.98 0.00 0.00 173.24 173.40 1x5k s SER 123 N -4.63 6.03 0.00 7.02 0.15 -1.26 -5.25 113.70 115.76 1x5k s SER 123 Ca 0.65 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1x5k s SER 123 Cb -0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1x5k s SER 123 CO 0.50 -1.72 0.00 0.61 1.20 0.00 0.00 173.24 173.83