#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 0.54 -0.16 1.61 0.15 -1.26 -5.16 113.70 109.43 1x5k s SER 2 Ca 0.00 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1x5k s SER 2 Cb 0.00 0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1x5k s SER 2 CO 0.00 -1.28 -0.15 -0.44 1.20 0.00 0.00 173.24 172.56 1x5k s SER 3 N -3.16 3.64 0.00 5.45 0.01 -1.26 -5.08 113.70 113.30 1x5k s SER 3 Ca 0.27 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1x5k s SER 3 Cb -0.01 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1x5k s SER 3 CO 0.16 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1x5k n GLY 4 N 4.13 2.50 3.96 3.44 0.00 -1.26 -5.17 105.19 112.79 1x5k n GLY 4 Ca -0.19 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5k s SER 5 N 0.00 3.61 0.04 1.61 0.15 -1.26 -5.11 113.70 112.74 1x5k s SER 5 Ca 0.00 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.67 1x5k s SER 5 Cb 0.00 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1x5k s SER 5 CO 0.00 -2.39 -0.11 -0.44 1.20 0.00 0.00 173.24 171.50 1x5k s SER 6 N -4.84 1.30 0.00 5.45 0.01 -1.26 -5.05 113.70 109.32 1x5k s SER 6 Ca 0.71 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1x5k s SER 6 Cb -0.04 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1x5k s SER 6 CO 0.49 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.68 1x5k n GLY 7 N 1.69 -2.06 3.51 3.44 0.00 -1.26 -5.05 105.19 105.46 1x5k n GLY 7 Ca -0.20 0.63 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 1x5k n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 8 N -0.10 4.44 -0.14 2.61 2.01 -1.26 -4.86 115.64 118.35 1x5k s THR 8 Ca 0.00 -1.63 -0.03 0.00 0.31 0.00 0.00 61.69 60.33 1x5k s THR 8 Cb 0.00 -4.97 -0.07 0.00 0.01 0.00 0.00 72.50 67.48 1x5k s THR 8 CO 0.00 -1.76 2.82 0.00 -0.69 0.00 0.00 174.62 175.00 1x5k n ALA 9 N 7.38 5.64 -1.84 7.40 0.00 -1.26 -4.68 120.51 133.14 1x5k n ALA 9 Ca 0.34 -1.61 -0.37 0.00 0.00 0.00 0.00 53.44 51.79 1x5k n ALA 9 Cb 0.48 -1.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 1x5k n ALA 9 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x5k n HIS 10 N 1.61 2.39 -1.95 0.00 -0.00 -1.26 -4.96 115.22 111.05 1x5k n HIS 10 Ca 0.32 -2.69 0.00 0.00 -0.00 0.00 0.00 57.72 55.35 1x5k n HIS 10 Cb 0.69 -1.82 0.00 0.00 -0.00 0.00 0.00 29.99 28.86 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x5k n GLY 11 N 1.77 -1.73 3.89 -1.41 0.00 -1.26 -4.93 105.19 101.52 1x5k n GLY 11 Ca 0.62 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1x5k n GLY 11 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x5k s THR 12 N 0.00 5.16 -0.45 2.61 -1.32 -1.26 -5.00 115.64 115.38 1x5k s THR 12 Ca 0.00 0.11 0.23 0.00 -1.21 0.00 0.00 61.69 60.83 1x5k s THR 12 Cb 0.00 -3.62 0.11 0.00 -1.51 0.00 0.00 72.50 67.48 1x5k s THR 12 CO 0.00 0.09 1.31 0.71 -2.21 0.00 0.00 174.62 174.52 1x5k h THR 13 N 2.23 0.00 -2.05 5.08 1.35 -1.97 -3.47 112.91 114.08 1x5k h THR 13 Ca -0.47 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 1x5k h THR 13 Cb 1.17 1.46 -0.19 0.00 -1.73 0.00 0.00 68.15 68.86 1x5k h THR 13 CO 0.71 0.00 0.29 0.72 -0.25 0.00 0.00 175.52 176.99 1x5k s PHE 14 N -3.25 -0.56 0.18 4.73 -0.12 -1.26 -5.18 117.98 112.52 1x5k s PHE 14 Ca 0.04 0.87 0.10 0.00 -0.05 0.00 0.00 56.93 57.89 1x5k s PHE 14 Cb 0.10 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1x5k s PHE 14 CO 0.73 -0.58 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.96 1x5k s GLU 15 N -1.60 1.87 -0.22 1.99 2.02 -1.26 -5.12 118.70 116.38 1x5k s GLU 15 Ca -0.07 -1.35 0.01 0.00 0.02 0.00 0.00 54.97 53.58 1x5k s GLU 15 Cb -0.00 -2.05 0.05 0.00 0.10 0.00 0.00 34.13 32.23 1x5k s GLU 15 CO 0.04 0.42 -0.06 -0.51 0.02 0.00 0.00 175.26 175.17 1x5k s LEU 16 N -2.76 2.41 0.70 1.80 2.01 -1.26 -5.07 118.68 116.50 1x5k s LEU 16 Ca 0.23 -1.06 -0.17 0.00 0.01 0.00 0.00 54.13 53.15 1x5k s LEU 16 Cb -0.09 -1.16 -0.08 0.00 0.01 0.00 0.00 46.19 44.87 1x5k s LEU 16 CO 0.13 -0.21 0.23 1.33 1.01 0.00 0.00 176.35 178.84 1x5k n VAL 17 N 4.69 1.19 -2.04 -1.59 0.24 -1.26 -4.05 118.33 115.51 1x5k n VAL 17 Ca -0.13 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.34 61.43 1x5k n VAL 17 Cb 0.45 -0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.25 2.57 -0.09 7.34 0.04 -1.26 -4.81 135.00 136.54 1x5k s PRO 18 Ca 0.61 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.69 1x5k s PRO 18 Cb -0.37 -4.82 0.12 0.00 0.04 0.00 0.00 34.50 29.47 1x5k s PRO 18 CO 0.63 -3.16 1.23 -2.37 0.04 0.00 0.00 177.00 173.37 1x5k n THR 19 N 7.65 1.48 -4.09 1.26 5.66 -1.26 -3.96 114.28 121.02 1x5k n THR 19 Ca 0.33 -0.41 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 1x5k n THR 19 Cb 0.49 -0.94 -0.14 0.00 -1.55 0.00 0.00 70.33 68.19 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 0.61 0.53 0.65 1.09 1.04 -1.26 -4.79 113.70 111.57 1x5k s SER 20 Ca 0.11 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.22 1x5k s SER 20 Cb 0.09 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1x5k s SER 20 CO 0.02 -0.00 1.11 -2.16 0.98 0.00 0.00 173.24 173.19 1x5k s PRO 21 N -0.39 2.85 0.94 4.02 0.04 -1.26 -4.76 135.00 136.44 1x5k s PRO 21 Ca -0.01 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 1x5k s PRO 21 Cb -0.03 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.71 1x5k s PRO 21 CO -0.00 -1.22 1.09 -1.25 0.04 0.00 0.00 177.00 175.67 1x5k s PRO 22 N -4.03 0.91 0.41 0.56 0.04 -1.26 -4.54 135.00 127.09 1x5k s PRO 22 Ca 0.67 0.70 0.07 0.00 0.04 0.00 0.00 61.00 62.48 1x5k s PRO 22 Cb -0.21 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1x5k s PRO 22 CO 0.40 -2.45 0.01 0.15 0.04 0.00 0.00 177.00 175.16 1x5k s LYS 23 N -4.95 1.96 -1.31 4.56 1.02 -0.11 -4.78 119.74 116.14 1x5k s LYS 23 Ca 0.64 -2.11 -0.04 0.00 0.02 0.00 0.00 55.97 54.48 1x5k s LYS 23 Cb -0.18 -1.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1x5k s LYS 23 CO 0.57 -0.05 1.01 -0.25 -0.92 0.00 0.00 175.35 175.71 1x5k n ASP 24 N -0.97 -3.60 -4.59 2.83 9.92 -1.26 0.11 116.55 118.99 1x5k n ASP 24 Ca -0.05 -0.64 -0.42 0.00 -0.53 0.00 0.00 54.79 53.14 1x5k n ASP 24 Cb 0.67 -4.79 -0.02 0.00 -0.64 0.00 0.00 41.12 36.34 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5k s VAL 25 N -3.39 4.05 0.03 2.53 1.01 -1.26 -3.57 120.40 119.80 1x5k s VAL 25 Ca 0.26 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.27 1x5k s VAL 25 Cb -0.12 -4.68 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 1x5k s VAL 25 CO 0.75 -1.24 -0.14 0.42 0.00 0.00 0.00 175.10 174.90 1x5k s THR 26 N 4.89 1.07 -0.26 3.92 -4.23 -0.84 -5.03 115.64 115.16 1x5k s THR 26 Ca 0.45 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1x5k s THR 26 Cb -0.08 -0.97 0.08 0.00 1.34 0.00 0.00 72.50 72.88 1x5k s THR 26 CO 0.27 0.01 0.06 -0.69 -0.54 0.00 0.00 174.62 173.73 1x5k s VAL 27 N -0.82 0.81 0.52 2.29 1.01 -1.26 -1.37 120.40 121.58 1x5k s VAL 27 Ca 0.01 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1x5k s VAL 27 Cb -0.08 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1x5k s VAL 27 CO 0.01 -0.43 0.50 0.68 0.00 0.00 0.00 175.10 175.86 1x5k s VAL 28 N 1.69 2.04 -0.04 2.92 -7.23 -0.40 -4.99 120.40 114.39 1x5k s VAL 28 Ca 0.04 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1x5k s VAL 28 Cb -0.17 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1x5k s VAL 28 CO -0.17 0.00 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.03 1x5k s SER 29 N -4.34 3.92 0.67 4.85 0.01 -1.26 -1.68 113.70 115.85 1x5k s SER 29 Ca 0.45 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 1x5k s SER 29 Cb -0.03 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 1x5k s SER 29 CO 0.27 0.34 0.97 1.17 0.41 0.00 0.00 173.24 176.40 1x5k n LYS 30 N 2.26 0.70 -2.73 12.44 3.00 -0.75 -4.84 118.16 128.24 1x5k n LYS 30 Ca -0.17 0.29 -0.42 0.00 -0.00 0.00 0.00 58.31 58.01 1x5k n LYS 30 Cb 0.52 -2.20 -0.04 0.00 0.00 0.00 0.00 35.03 33.31 1x5k n LYS 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1x5k s GLU 31 N -3.07 3.19 0.00 1.64 2.12 -1.26 -3.73 118.70 117.59 1x5k s GLU 31 Ca 0.75 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1x5k s GLU 31 Cb -0.38 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 29.84 1x5k s GLU 31 CO 0.48 -1.88 0.00 0.41 -0.54 0.00 0.00 175.26 173.73 1x5k n GLY 32 N 5.30 2.14 3.21 -1.50 0.00 -1.26 -4.89 105.19 108.19 1x5k n GLY 32 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 2.41 0.20 1.61 2.47 -1.24 -4.66 119.74 120.52 1x5k s LYS 33 Ca 0.00 -1.59 -0.04 0.00 -1.56 0.00 0.00 55.97 52.78 1x5k s LYS 33 Cb 0.00 -3.71 0.13 0.00 -1.46 0.00 0.00 37.83 32.79 1x5k s LYS 33 CO 0.00 -1.00 1.55 -1.00 0.16 0.00 0.00 175.35 175.06 1x5k h PRO 34 N 8.29 0.67 0.00 4.03 0.13 -1.92 -2.73 132.00 140.46 1x5k h PRO 34 Ca -0.20 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1x5k h PRO 34 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x5k h PRO 34 CO 0.74 0.96 0.00 1.63 -0.23 0.00 0.00 178.00 181.10 1x5k n LYS 35 N -4.03 0.06 -4.75 0.86 5.02 -1.26 -4.55 118.16 109.51 1x5k n LYS 35 Ca -0.02 0.23 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 1x5k n LYS 35 Cb 0.54 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 1x5k n LYS 35 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x5k s THR 36 N -2.88 3.24 0.03 -0.18 2.01 -1.03 -2.30 115.64 114.53 1x5k s THR 36 Ca 0.09 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1x5k s THR 36 Cb 0.09 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1x5k s THR 36 CO 0.25 0.54 0.11 0.27 -0.69 0.00 0.00 174.62 175.09 1x5k s ILE 37 N -0.81 0.12 -0.09 1.82 -4.36 -0.80 -1.81 121.20 115.27 1x5k s ILE 37 Ca 0.13 -0.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.57 1x5k s ILE 37 Cb -0.11 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.83 1x5k s ILE 37 CO 0.02 -0.54 -0.16 -0.63 0.24 0.00 0.00 174.94 173.87 1x5k s ILE 38 N -2.27 2.84 -0.22 8.37 1.09 -0.68 -1.42 121.20 128.91 1x5k s ILE 38 Ca -0.08 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.71 1x5k s ILE 38 Cb -0.03 -2.14 0.03 0.00 -1.06 0.00 0.00 42.46 39.26 1x5k s ILE 38 CO -0.03 0.55 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.55 1x5k s VAL 39 N -0.06 2.46 0.21 2.92 1.01 0.30 -1.27 120.40 125.97 1x5k s VAL 39 Ca -0.03 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1x5k s VAL 39 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1x5k s VAL 39 CO 0.04 0.29 0.18 0.20 0.00 0.00 0.00 175.10 175.81 1x5k s ASN 40 N 1.28 5.56 0.28 3.32 0.01 -0.47 -1.42 114.94 123.49 1x5k s ASN 40 Ca 0.00 -0.18 -0.20 0.00 -0.71 0.00 0.00 52.86 51.77 1x5k s ASN 40 Cb -0.16 -1.44 0.05 0.00 0.41 0.00 0.00 41.25 40.11 1x5k s ASN 40 CO -0.08 0.01 0.86 -1.66 -1.51 0.00 0.00 177.10 174.73 1x5k s TRP 41 N -1.96 0.00 0.04 2.20 -2.14 -0.20 -1.98 118.94 114.91 1x5k s TRP 41 Ca 0.32 -0.51 -0.01 0.00 2.66 0.00 0.00 56.10 58.56 1x5k s TRP 41 Cb -0.09 0.75 -0.03 0.00 -3.10 0.00 0.00 33.47 31.00 1x5k s TRP 41 CO 0.24 -1.23 -0.01 -0.65 -2.66 0.00 0.00 176.95 172.65 1x5k s GLN 42 N -2.77 0.49 0.42 3.25 -1.52 0.31 -4.79 119.66 115.05 1x5k s GLN 42 Ca 0.15 -0.91 -0.24 0.00 -1.95 0.00 0.00 55.36 52.41 1x5k s GLN 42 Cb -0.04 0.17 -0.08 0.00 -0.22 0.00 0.00 33.01 32.84 1x5k s GLN 42 CO 0.08 -0.09 1.18 -1.25 -0.25 0.00 0.00 175.29 174.95 1x5k s PRO 43 N -2.75 3.93 0.61 2.91 0.04 -1.26 -0.94 135.00 137.54 1x5k s PRO 43 Ca -0.04 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1x5k s PRO 43 Cb -0.00 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1x5k s PRO 43 CO -0.06 -0.43 1.12 -1.25 0.04 0.00 0.00 177.00 176.43 1x5k s PRO 44 N -2.46 3.02 0.11 0.56 0.04 -1.26 -4.54 135.00 130.47 1x5k s PRO 44 Ca 0.60 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 1x5k s PRO 44 Cb -0.30 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1x5k s PRO 44 CO 0.38 -1.09 1.60 1.03 0.04 0.00 0.00 177.00 178.96 1x5k h SER 45 N 0.50 0.50 -0.45 6.66 0.87 -1.95 -3.19 113.55 116.49 1x5k h SER 45 Ca -0.48 -0.24 0.06 0.00 -1.23 0.00 0.00 61.79 59.90 1x5k h SER 45 Cb 1.25 -0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 62.99 1x5k h SER 45 CO 0.55 0.61 -0.50 -0.33 -0.53 0.00 0.00 176.83 176.63 1x5k h GLU 46 N 0.37 -0.33 -6.70 2.24 5.08 -1.97 -3.44 114.58 109.82 1x5k h GLU 46 Ca 0.10 0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 58.03 1x5k h GLU 46 Cb 0.32 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 1x5k h GLU 46 CO 0.00 -0.22 -0.72 0.00 -1.00 0.00 0.00 179.01 177.07 1x5k n ALA 47 N -3.10 -1.87 -0.40 3.43 0.00 -1.21 -4.64 120.51 112.73 1x5k n ALA 47 Ca -0.02 -0.35 0.32 0.00 0.00 0.00 0.00 53.44 53.40 1x5k n ALA 47 Cb 0.35 -0.97 0.52 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.82 0.11 0.00 0.00 3.02 -1.26 -4.49 115.26 110.82 1x5k n ASN 48 Ca -0.19 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1x5k n ASN 48 Cb 0.48 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.46 4.46 2.43 7.41 0.00 -1.26 -4.74 105.19 112.04 1x5k n GLY 49 Ca 0.30 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 1x5k n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x5k n LYS 50 N 0.00 1.01 -4.29 1.61 2.85 -1.26 -5.12 118.16 112.96 1x5k n LYS 50 Ca 0.00 -2.25 -0.20 0.00 -1.05 0.00 0.00 58.31 54.80 1x5k n LYS 50 Cb 0.00 0.32 -0.13 0.00 -0.65 0.00 0.00 35.03 34.57 1x5k n LYS 50 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1x5k s ILE 51 N -1.84 1.24 0.00 0.58 -1.09 -1.26 -4.58 121.20 114.26 1x5k s ILE 51 Ca 0.16 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1x5k s ILE 51 Cb -0.01 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.72 1x5k s ILE 51 CO 0.10 -0.08 0.00 0.35 -1.23 0.00 0.00 174.94 174.08 1x5k n THR 52 N 1.53 0.00 -3.72 2.92 -2.24 -1.19 -4.91 114.28 106.66 1x5k n THR 52 Ca -0.19 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1x5k n THR 52 Cb 0.54 -0.46 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.70 0.86 3.15 3.38 0.00 -1.12 -3.29 105.19 109.86 1x5k n GLY 53 Ca 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.55 0.52 -0.02 1.61 1.51 -1.25 -2.63 117.35 113.56 1x5k s TYR 54 Ca 0.15 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1x5k s TYR 54 Cb -0.02 -0.32 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 1x5k s TYR 54 CO 0.04 -0.47 -0.03 0.42 -1.11 0.00 0.00 175.55 174.39 1x5k s ILE 55 N -3.94 0.35 0.02 2.71 1.01 -1.21 -0.42 121.20 119.72 1x5k s ILE 55 Ca 0.11 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1x5k s ILE 55 Cb 0.07 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1x5k s ILE 55 CO -0.07 0.14 -0.22 -0.63 0.00 0.00 0.00 174.94 174.16 1x5k s ILE 56 N 0.37 2.47 -0.05 2.92 1.01 -0.84 -1.54 121.20 125.55 1x5k s ILE 56 Ca -0.04 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.51 1x5k s ILE 56 Cb -0.07 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1x5k s ILE 56 CO -0.00 0.44 -0.23 -0.31 0.00 0.00 0.00 174.94 174.83 1x5k s TYR 57 N -0.79 2.46 -0.13 3.97 1.51 0.26 -0.70 117.35 123.93 1x5k s TYR 57 Ca 0.12 -0.52 -0.13 0.00 -1.01 0.00 0.00 57.07 55.54 1x5k s TYR 57 Cb -0.10 -1.58 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1x5k s TYR 57 CO 0.02 -0.08 0.35 1.52 -1.11 0.00 0.00 175.55 176.25 1x5k s TYR 58 N -0.40 -0.38 -0.27 2.71 -0.85 -1.24 -0.34 117.35 116.58 1x5k s TYR 58 Ca 0.04 0.92 -0.25 0.00 -0.52 0.00 0.00 57.07 57.26 1x5k s TYR 58 Cb -0.12 0.13 0.09 0.00 0.38 0.00 0.00 41.96 42.45 1x5k s TYR 58 CO 0.01 -0.20 0.86 0.45 -1.52 0.00 0.00 175.55 175.16 1x5k s SER 59 N 0.11 -0.62 0.46 -0.18 0.15 -1.22 -2.97 113.70 109.43 1x5k s SER 59 Ca -0.01 1.19 0.26 0.00 0.70 0.00 0.00 55.95 58.09 1x5k s SER 59 Cb -0.03 1.20 1.29 0.00 -1.71 0.00 0.00 66.02 66.78 1x5k s SER 59 CO 0.01 -0.21 1.78 0.71 1.20 0.00 0.00 173.24 176.73 1x5k h THR 60 N 3.81 0.47 -2.53 6.45 1.35 -1.91 -3.34 112.91 117.21 1x5k h THR 60 Ca -0.29 -0.08 -0.46 0.00 -0.55 0.00 0.00 66.41 65.03 1x5k h THR 60 Cb 1.17 0.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1x5k h THR 60 CO 0.08 0.04 -0.23 -0.62 -0.25 0.00 0.00 175.52 174.54 1x5k s ASP 61 N -5.22 6.13 -0.05 5.36 2.15 -1.26 -4.79 116.67 119.00 1x5k s ASP 61 Ca -0.07 0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.16 1x5k s ASP 61 Cb 0.24 -1.75 -0.04 0.00 -0.30 0.00 0.00 42.92 41.08 1x5k s ASP 61 CO 0.80 -0.38 -0.04 0.55 -0.17 0.00 0.00 175.17 175.93 1x5k n VAL 62 N -1.78 0.29 1.30 1.11 3.14 -1.26 -4.59 118.33 116.54 1x5k n VAL 62 Ca -0.03 -0.12 0.13 0.00 -2.96 0.00 0.00 64.34 61.36 1x5k n VAL 62 Cb 0.57 -0.71 0.69 0.00 -1.06 0.00 0.00 33.84 33.32 1x5k n VAL 62 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1x5k n ASN 63 N -2.57 0.00 -4.72 6.55 3.02 -1.26 -4.86 115.26 111.42 1x5k n ASN 63 Ca -0.09 -0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 53.96 1x5k n ASN 63 Cb 0.60 -0.26 0.09 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.53 2.13 0.15 5.41 0.00 -1.26 -4.96 121.76 120.70 1x5k s ALA 64 Ca 0.27 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 1x5k s ALA 64 Cb 0.18 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 1x5k s ALA 64 CO 0.40 -1.86 1.03 -1.21 0.00 0.00 0.00 175.76 174.11 1x5k s GLU 65 N -3.88 4.66 0.39 0.00 2.02 -1.26 -4.88 118.70 115.75 1x5k s GLU 65 Ca 0.75 1.58 0.34 0.00 0.02 0.00 0.00 54.97 57.65 1x5k s GLU 65 Cb -0.30 -3.32 1.25 0.00 0.10 0.00 0.00 34.13 31.86 1x5k s GLU 65 CO 0.45 0.17 1.17 1.51 0.02 0.00 0.00 175.26 178.58 1x5k n ILE 66 N 2.51 -0.06 -0.07 -1.63 0.13 -1.26 0.12 119.36 119.09 1x5k n ILE 66 Ca 0.02 1.20 -0.07 0.00 -1.10 0.00 0.00 62.75 62.80 1x5k n ILE 66 Cb 0.48 -1.98 -0.01 0.00 -0.84 0.00 0.00 39.64 37.29 1x5k n ILE 66 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 1x5k h HIS 67 N 0.00 -0.31 -0.38 9.51 3.86 -2.02 -1.43 115.15 124.38 1x5k h HIS 67 Ca 0.69 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.86 1x5k h HIS 67 Cb 2.62 0.18 -0.02 0.00 1.06 0.00 0.00 27.41 31.25 1x5k h HIS 67 CO -0.00 -0.20 -0.08 -0.44 0.86 0.00 0.00 177.93 178.07 1x5k h ASP 68 N -0.09 0.62 -2.60 2.45 3.32 0.51 -3.44 116.42 117.19 1x5k h ASP 68 Ca 0.15 -0.16 -0.58 0.00 0.02 0.00 0.00 57.03 56.45 1x5k h ASP 68 Cb 0.31 -0.16 0.08 0.00 0.22 0.00 0.00 39.33 39.78 1x5k h ASP 68 CO -0.34 0.74 0.63 0.79 -1.72 0.00 0.00 179.24 179.34 1x5k n TRP 69 N -4.20 2.16 -2.55 4.55 7.02 -0.54 -4.95 117.44 118.94 1x5k n TRP 69 Ca 0.01 0.42 -0.34 0.00 -1.02 0.00 0.00 57.50 56.57 1x5k n TRP 69 Cb 0.32 -2.47 -0.04 0.00 -2.42 0.00 0.00 31.31 26.70 1x5k n TRP 69 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1x5k s VAL 70 N 0.08 3.94 -0.33 -0.99 0.11 -1.16 -4.91 120.40 117.15 1x5k s VAL 70 Ca 0.70 1.17 -0.08 0.00 -2.93 0.00 0.00 61.98 60.84 1x5k s VAL 70 Cb -0.66 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 30.73 1x5k s VAL 70 CO 0.48 -0.30 0.12 -0.63 -3.33 0.00 0.00 175.10 171.44 1x5k s ILE 71 N -2.09 4.10 -0.87 7.04 1.01 -1.26 -3.59 121.20 125.54 1x5k s ILE 71 Ca 0.66 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1x5k s ILE 71 Cb -0.15 -3.21 0.22 0.00 0.01 0.00 0.00 42.46 39.33 1x5k s ILE 71 CO 0.21 -0.06 0.77 -1.61 0.00 0.00 0.00 174.94 174.24 1x5k s GLU 72 N 1.49 3.36 0.11 2.79 0.41 0.12 -4.96 118.70 122.03 1x5k s GLU 72 Ca 0.01 -2.97 -0.31 0.00 -0.41 0.00 0.00 54.97 51.30 1x5k s GLU 72 Cb -0.18 -4.11 -0.08 0.00 -1.78 0.00 0.00 34.13 27.98 1x5k s GLU 72 CO 0.04 -1.24 1.36 -1.25 -0.49 0.00 0.00 175.26 173.67 1x5k s PRO 73 N -0.80 4.34 -0.15 0.39 0.04 -1.26 -1.98 135.00 135.58 1x5k s PRO 73 Ca 0.24 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.24 1x5k s PRO 73 Cb -0.11 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1x5k s PRO 73 CO -0.09 -0.40 0.13 0.08 0.04 0.00 0.00 177.00 176.76 1x5k s VAL 74 N 1.02 5.41 0.30 -0.36 1.01 0.44 -5.00 120.40 123.23 1x5k s VAL 74 Ca 0.63 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1x5k s VAL 74 Cb -0.36 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1x5k s VAL 74 CO 0.31 0.56 0.41 0.68 0.00 0.00 0.00 175.10 177.05 1x5k s VAL 75 N -0.54 4.39 -1.24 2.92 -7.23 -1.26 -3.75 120.40 113.68 1x5k s VAL 75 Ca 0.12 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1x5k s VAL 75 Cb -0.12 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1x5k s VAL 75 CO 0.02 -0.22 0.24 0.61 -0.31 0.00 0.00 175.10 175.44 1x5k n GLY 76 N -1.52 -0.24 4.35 2.32 0.00 -1.26 -2.93 105.19 105.90 1x5k n GLY 76 Ca -0.03 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.22 -0.89 -4.79 1.61 0.23 -1.21 -4.86 115.26 104.14 1x5k n ASN 77 Ca -0.13 -1.20 -0.35 0.00 -0.53 0.00 0.00 54.58 52.37 1x5k n ASN 77 Cb 0.61 -1.52 -0.03 0.00 -2.08 0.00 0.00 39.78 36.77 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x5k s ARG 78 N -7.02 3.79 0.00 -3.83 6.06 -1.15 -4.93 118.95 111.87 1x5k s ARG 78 Ca 0.54 1.46 0.18 0.00 -2.50 0.00 0.00 55.73 55.41 1x5k s ARG 78 Cb -0.32 -2.18 0.34 0.00 0.06 0.00 0.00 34.95 32.85 1x5k s ARG 78 CO 0.97 -0.46 1.27 1.28 -2.50 0.00 0.00 175.30 175.86 1x5k n LEU 79 N -0.82 3.08 -4.03 -0.88 4.77 -1.26 -4.66 117.00 113.20 1x5k n LEU 79 Ca 0.09 -1.55 -0.12 0.00 -0.03 0.00 0.00 56.01 54.40 1x5k n LEU 79 Cb 0.51 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1x5k n LEU 79 CO 0.42 0.68 -0.39 0.28 -1.33 0.00 0.00 177.39 177.05 1x5k s THR 80 N -1.24 0.38 -0.00 -5.08 -1.32 -1.26 -1.03 115.64 106.09 1x5k s THR 80 Ca 0.31 -0.99 -0.05 0.00 -1.21 0.00 0.00 61.69 59.74 1x5k s THR 80 Cb 0.18 -0.47 -0.00 0.00 -1.51 0.00 0.00 72.50 70.69 1x5k s THR 80 CO 0.25 -0.41 0.10 -2.28 -2.21 0.00 0.00 174.62 170.07 1x5k s HIS 81 N -1.37 0.05 -0.07 9.09 2.46 -0.51 -4.98 115.29 119.97 1x5k s HIS 81 Ca -0.12 -0.12 0.05 0.00 0.47 0.00 0.00 55.06 55.35 1x5k s HIS 81 Cb -0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 32.58 32.29 1x5k s HIS 81 CO -0.00 -0.23 -0.24 -0.65 -2.47 0.00 0.00 174.74 171.15 1x5k s GLN 82 N -1.13 2.70 -0.20 2.88 1.11 -1.26 -0.54 119.66 123.24 1x5k s GLN 82 Ca -0.12 -0.88 0.01 0.00 0.01 0.00 0.00 55.36 54.37 1x5k s GLN 82 Cb -0.07 -2.22 0.04 0.00 -1.01 0.00 0.00 33.01 29.75 1x5k s GLN 82 CO 0.01 0.33 -0.11 0.42 0.01 0.00 0.00 175.29 175.96 1x5k s ILE 83 N -0.04 1.64 0.50 1.08 1.01 -0.51 -4.98 121.20 119.91 1x5k s ILE 83 Ca -0.07 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.66 1x5k s ILE 83 Cb -0.15 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1x5k s ILE 83 CO 0.05 0.19 0.42 0.00 0.00 0.00 0.00 174.94 175.60 1x5k s GLN 84 N 1.40 2.35 -1.14 2.79 -2.07 -1.26 -1.90 119.66 119.82 1x5k s GLN 84 Ca -0.01 -1.81 -0.02 0.00 -1.82 0.00 0.00 55.36 51.71 1x5k s GLN 84 Cb -0.16 -2.24 0.00 0.00 -1.09 0.00 0.00 33.01 29.52 1x5k s GLN 84 CO -0.08 -0.47 0.96 0.39 -1.32 0.00 0.00 175.29 174.77 1x5k n GLU 85 N -1.71 -6.39 -3.61 9.60 1.02 -1.18 -4.93 120.64 113.44 1x5k n GLU 85 Ca 0.02 0.79 -0.24 0.00 -0.02 0.00 0.00 57.16 57.70 1x5k n GLU 85 Cb 0.63 -5.63 0.02 0.00 -0.02 0.00 0.00 31.44 26.44 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 -6.20 2.79 0.12 -4.62 1.43 -0.97 -5.08 118.68 106.14 1x5k s LEU 86 Ca 0.10 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.00 1x5k s LEU 86 Cb -0.05 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 1x5k s LEU 86 CO 0.68 -1.23 0.37 -0.89 0.23 0.00 0.00 176.35 175.51 1x5k s THR 87 N -2.76 5.16 0.44 5.49 2.01 -1.26 -4.78 115.64 119.94 1x5k s THR 87 Ca 0.43 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.62 1x5k s THR 87 Cb -0.03 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1x5k s THR 87 CO 0.27 0.12 0.61 -0.76 -0.69 0.00 0.00 174.62 174.17 1x5k s LEU 88 N -2.42 3.63 -1.57 4.42 1.43 -1.26 -4.49 118.68 118.41 1x5k s LEU 88 Ca 0.38 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1x5k s LEU 88 Cb -0.13 -2.76 0.06 0.00 0.03 0.00 0.00 46.19 43.39 1x5k s LEU 88 CO 0.22 -0.79 0.15 -0.67 0.23 0.00 0.00 176.35 175.50 1x5k n ASP 89 N -1.94 0.24 -3.73 2.29 2.03 -1.24 -4.91 116.55 109.28 1x5k n ASP 89 Ca 0.06 -1.22 -0.13 0.00 0.52 0.00 0.00 54.79 54.02 1x5k n ASP 89 Cb 0.59 -1.53 -0.14 0.00 -0.72 0.00 0.00 41.12 39.32 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5k s THR 90 N -4.03 -0.05 -0.39 5.18 2.01 -1.26 -5.01 115.64 112.09 1x5k s THR 90 Ca 0.21 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1x5k s THR 90 Cb -0.12 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1x5k s THR 90 CO 0.97 0.07 1.73 -2.16 -0.69 0.00 0.00 174.62 174.53 1x5k s PRO 91 N 1.24 3.29 -0.14 4.92 0.04 -1.26 -3.47 135.00 139.62 1x5k s PRO 91 Ca -0.09 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1x5k s PRO 91 Cb -0.11 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1x5k s PRO 91 CO -0.08 -1.92 -0.06 0.71 0.04 0.00 0.00 177.00 175.70 1x5k s TYR 92 N 6.88 2.98 -0.24 0.56 1.51 -1.22 -4.84 117.35 122.98 1x5k s TYR 92 Ca 0.74 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 56.37 1x5k s TYR 92 Cb -0.19 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.70 1x5k s TYR 92 CO 0.32 -0.03 0.14 0.71 -1.11 0.00 0.00 175.55 175.57 1x5k s TYR 93 N 0.25 3.27 0.14 2.71 1.51 -1.25 -2.41 117.35 121.57 1x5k s TYR 93 Ca -0.04 0.12 0.08 0.00 -1.01 0.00 0.00 57.07 56.22 1x5k s TYR 93 Cb -0.14 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1x5k s TYR 93 CO 0.03 0.01 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.32 1x5k s PHE 94 N 1.09 2.68 0.00 2.71 0.08 -0.84 -3.39 117.98 120.30 1x5k s PHE 94 Ca 0.07 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1x5k s PHE 94 Cb -0.14 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1x5k s PHE 94 CO 0.04 0.45 -0.00 0.15 -0.10 0.00 0.00 175.22 175.77 1x5k s LYS 95 N -2.45 0.02 0.01 0.44 1.02 0.54 -1.68 119.74 117.64 1x5k s LYS 95 Ca 0.22 -0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.28 1x5k s LYS 95 Cb -0.10 -0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.18 1x5k s LYS 95 CO 0.14 0.00 -0.26 0.42 -0.92 0.00 0.00 175.35 174.73 1x5k s ILE 96 N -0.05 2.07 0.22 2.17 1.01 -1.26 -0.57 121.20 124.79 1x5k s ILE 96 Ca -0.00 -1.22 -0.00 0.00 0.00 0.00 0.00 60.65 59.43 1x5k s ILE 96 Cb -0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1x5k s ILE 96 CO -0.00 0.48 0.13 0.00 0.00 0.00 0.00 174.94 175.55 1x5k s GLN 97 N -0.87 1.28 -0.10 2.79 -2.07 -0.59 -3.34 119.66 116.75 1x5k s GLN 97 Ca 0.11 -1.68 0.02 0.00 -1.82 0.00 0.00 55.36 51.98 1x5k s GLN 97 Cb -0.10 0.13 0.01 0.00 -1.09 0.00 0.00 33.01 31.96 1x5k s GLN 97 CO 0.00 -0.37 -0.15 0.00 -1.32 0.00 0.00 175.29 173.45 1x5k s ALA 98 N -4.03 1.62 0.03 2.60 0.00 -1.26 -3.28 121.76 117.44 1x5k s ALA 98 Ca 0.39 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1x5k s ALA 98 Cb 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1x5k s ALA 98 CO 0.13 -0.04 -0.21 0.50 0.00 0.00 0.00 175.76 176.14 1x5k s ARG 99 N 0.93 1.43 0.34 0.00 3.52 -1.08 -2.72 118.95 121.38 1x5k s ARG 99 Ca -0.08 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.64 1x5k s ARG 99 Cb -0.15 -1.51 -0.01 0.00 -1.56 0.00 0.00 34.95 31.72 1x5k s ARG 99 CO -0.00 0.39 0.07 0.27 -0.81 0.00 0.00 175.30 175.22 1x5k n ASN 100 N 2.00 1.87 -0.30 -2.12 0.23 0.14 -2.80 115.26 114.28 1x5k n ASN 100 Ca -0.17 -2.68 0.27 0.00 -0.53 0.00 0.00 54.58 51.47 1x5k n ASN 100 Cb 0.53 0.60 0.50 0.00 -2.08 0.00 0.00 39.78 39.33 1x5k n ASN 100 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1x5k n SER 101 N -1.49 0.25 0.00 0.53 2.88 -1.26 -1.69 113.62 112.84 1x5k n SER 101 Ca -0.09 1.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1x5k n SER 101 Cb 0.48 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1x5k n SER 101 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x5k n LYS 102 N -5.12 0.00 0.00 -1.46 4.76 -1.26 -5.06 118.16 110.01 1x5k n LYS 102 Ca 0.33 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1x5k n LYS 102 Cb 1.11 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5k n GLY 103 N 0.37 2.35 3.86 0.72 0.00 -0.68 -5.10 105.19 106.72 1x5k n GLY 103 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 2.13 2.41 0.00 1.61 -1.94 -1.26 0.29 119.30 122.54 1x5k s MET 104 Ca 0.00 -1.69 0.00 0.00 -1.71 0.00 0.00 55.69 52.29 1x5k s MET 104 Cb 0.00 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.58 1x5k s MET 104 CO 0.00 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 1x5k n GLY 105 N -1.56 7.22 3.77 -0.03 0.00 -1.10 -4.72 105.19 108.76 1x5k n GLY 105 Ca 0.02 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1x5k n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 106 N 0.83 4.10 0.30 1.61 0.04 -1.26 -4.85 135.00 135.77 1x5k s PRO 106 Ca 0.00 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1x5k s PRO 106 Cb 0.00 -2.75 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 1x5k s PRO 106 CO 0.00 -0.30 0.73 -1.64 0.04 0.00 0.00 177.00 175.82 1x5k s MET 107 N -2.20 4.04 0.87 4.56 -1.94 -1.26 -4.43 119.30 118.93 1x5k s MET 107 Ca 0.56 0.69 -0.12 0.00 -1.71 0.00 0.00 55.69 55.10 1x5k s MET 107 Cb -0.32 -2.52 0.11 0.00 2.01 0.00 0.00 34.83 34.11 1x5k s MET 107 CO 0.41 0.20 1.15 -1.54 -0.01 0.00 0.00 175.02 175.23 1x5k s SER 108 N -2.17 3.94 0.55 3.03 1.04 -1.21 -4.95 113.70 113.94 1x5k s SER 108 Ca 0.52 0.94 -0.21 0.00 0.48 0.00 0.00 55.95 57.68 1x5k s SER 108 Cb -0.11 -1.51 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 1x5k s SER 108 CO 0.18 -2.28 1.16 -1.84 0.98 0.00 0.00 173.24 171.44 1x5k n GLU 109 N -3.58 1.31 -1.63 4.02 0.00 -1.26 -4.80 120.64 114.70 1x5k n GLU 109 Ca 0.07 0.49 -0.43 0.00 0.00 0.00 0.00 57.16 57.29 1x5k n GLU 109 Cb 0.59 -2.35 -0.03 0.00 0.00 0.00 0.00 31.44 29.66 1x5k n GLU 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x5k s ALA 110 N -1.37 3.10 -0.56 -1.84 0.00 -1.26 -4.85 121.76 114.98 1x5k s ALA 110 Ca 0.73 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.47 1x5k s ALA 110 Cb -0.43 -3.98 0.04 0.00 0.00 0.00 0.00 23.12 18.75 1x5k s ALA 110 CO 0.49 -2.27 0.97 0.08 0.00 0.00 0.00 175.76 175.03 1x5k s VAL 111 N 6.64 4.34 -0.42 0.00 1.01 -0.68 -4.91 120.40 126.39 1x5k s VAL 111 Ca 0.96 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 1x5k s VAL 111 Cb -0.37 -4.57 0.02 0.00 0.00 0.00 0.00 36.38 31.46 1x5k s VAL 111 CO 0.38 -1.15 1.02 -1.58 0.00 0.00 0.00 175.10 173.77 1x5k s GLN 112 N 4.07 3.76 -0.23 2.72 0.74 -1.26 -1.99 119.66 127.47 1x5k s GLN 112 Ca 0.31 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 56.27 1x5k s GLN 112 Cb -0.12 -3.86 0.06 0.00 1.10 0.00 0.00 33.01 30.19 1x5k s GLN 112 CO 0.20 -1.15 -0.02 0.12 -0.55 0.00 0.00 175.29 173.88 1x5k s PHE 113 N 3.90 2.09 -0.17 1.67 2.19 -1.01 -5.02 117.98 121.63 1x5k s PHE 113 Ca 0.42 -1.59 -0.29 0.00 0.33 0.00 0.00 56.93 55.80 1x5k s PHE 113 Cb -0.10 -1.49 -0.03 0.00 -1.31 0.00 0.00 43.02 40.09 1x5k s PHE 113 CO 0.24 -0.75 1.51 0.50 1.83 0.00 0.00 175.22 178.55 1x5k s ARG 114 N 1.50 4.03 0.57 10.12 3.52 -1.26 -3.45 118.95 133.97 1x5k s ARG 114 Ca -0.04 1.77 -0.20 0.00 -0.13 0.00 0.00 55.73 57.14 1x5k s ARG 114 Cb -0.18 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 1x5k s ARG 114 CO -0.07 -1.00 1.05 0.25 -0.81 0.00 0.00 175.30 174.72 1x5k n THR 115 N 5.86 3.58 -0.19 4.11 -2.24 -1.23 -5.00 114.28 119.18 1x5k n THR 115 Ca 0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1x5k n THR 115 Cb 0.45 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1x5k n THR 115 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x5k n PRO 116 N -0.87 0.23 -3.90 -0.78 -0.04 -1.26 -4.16 135.00 124.22 1x5k n PRO 116 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1x5k n PRO 116 Cb 0.46 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.34 -0.21 0.54 -0.14 -1.26 -3.67 119.74 114.20 1x5k s LYS 117 Ca 0.00 -0.33 -0.29 0.00 -1.36 0.00 0.00 55.97 53.99 1x5k s LYS 117 Cb 0.00 0.14 -0.03 0.00 -1.68 0.00 0.00 37.83 36.26 1x5k s LYS 117 CO 0.00 -0.07 1.60 0.00 -0.76 0.00 0.00 175.35 176.12 1x5k s ALA 118 N -1.05 3.31 -0.54 5.17 0.00 -1.26 -4.93 121.76 122.46 1x5k s ALA 118 Ca -0.11 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1x5k s ALA 118 Cb -0.07 -3.84 0.14 0.00 0.00 0.00 0.00 23.12 19.36 1x5k s ALA 118 CO 0.00 -1.89 0.36 0.45 0.00 0.00 0.00 175.76 174.69 1x5k s SER 119 N 4.08 5.35 0.00 0.00 0.15 -1.26 -4.99 113.70 117.04 1x5k s SER 119 Ca 0.71 -2.46 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1x5k s SER 119 Cb -0.25 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1x5k s SER 119 CO 0.29 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1x5k n GLY 120 N 4.04 1.89 0.05 9.45 0.00 -1.26 -4.77 105.19 114.60 1x5k n GLY 120 Ca 0.03 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1x5k n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5k n PRO 121 N 1.82 0.07 -3.30 1.61 -0.04 -1.26 -4.72 135.00 129.18 1x5k n PRO 121 Ca 0.00 0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 63.39 1x5k n PRO 121 Cb 0.00 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 1x5k n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5k s SER 122 N -3.44 7.02 -0.29 3.54 0.15 -1.26 -5.06 113.70 114.36 1x5k s SER 122 Ca 0.06 1.22 -0.18 0.00 0.70 0.00 0.00 55.95 57.75 1x5k s SER 122 Cb 0.09 -2.34 0.17 0.00 -1.71 0.00 0.00 66.02 62.23 1x5k s SER 122 CO 0.31 0.27 1.12 -0.55 1.20 0.00 0.00 173.24 175.59 1x5k s SER 123 N -1.15 -0.30 0.00 5.45 0.15 -1.26 -4.94 113.70 111.64 1x5k s SER 123 Ca 0.29 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1x5k s SER 123 Cb -0.19 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1x5k s SER 123 CO 0.18 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.15