#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4x s ALA 2 N 0.00 2.63 -0.13 1.69 0.00 -1.26 -5.00 121.76 119.68 1f4x s ALA 2 Ca 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1f4x s ALA 2 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1f4x s ALA 2 CO 0.00 -0.99 -0.00 0.08 0.00 0.00 0.00 175.76 174.85 1f4x s VAL 3 N -2.35 4.22 -0.14 0.00 1.01 -1.26 -4.94 120.40 116.94 1f4x s VAL 3 Ca 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1f4x s VAL 3 Cb -0.18 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1f4x s VAL 3 CO 0.38 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 175.22 1f4x s VAL 4 N -0.10 3.38 0.03 2.92 1.01 -1.26 -1.25 120.40 125.13 1f4x s VAL 4 Ca 0.04 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1f4x s VAL 4 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1f4x s VAL 4 CO 0.02 0.52 -0.14 0.42 0.00 0.00 0.00 175.10 175.91 1f4x s THR 5 N 0.31 1.15 0.20 3.92 -4.23 0.84 -4.14 115.64 113.69 1f4x s THR 5 Ca -0.08 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 1f4x s THR 5 Cb -0.15 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.61 1f4x s THR 5 CO 0.05 0.05 -0.04 -1.10 -0.54 0.00 0.00 174.62 173.03 1f4x s GLN 6 N -1.06 1.23 0.39 3.99 -0.21 -1.26 -1.85 119.66 120.89 1f4x s GLN 6 Ca 0.02 -1.59 -0.27 0.00 0.02 0.00 0.00 55.36 53.54 1f4x s GLN 6 Cb -0.08 -0.61 -0.10 0.00 1.00 0.00 0.00 33.01 33.23 1f4x s GLN 6 CO 0.01 -0.04 1.39 -1.21 -2.12 0.00 0.00 175.29 173.33 1f4x s GLU 7 N -3.82 4.04 0.07 2.91 8.01 -1.26 -4.86 118.70 123.79 1f4x s GLU 7 Ca 0.24 2.36 -0.18 0.00 0.01 0.00 0.00 54.97 57.41 1f4x s GLU 7 Cb 0.05 -2.88 -0.11 0.00 -4.31 0.00 0.00 34.13 26.88 1f4x s GLU 7 CO 0.06 -0.51 1.39 1.03 0.01 0.00 0.00 175.26 177.24 1f4x h SER 8 N 2.87 0.55 -4.75 -0.19 0.87 -1.95 -3.31 113.55 107.63 1f4x h SER 8 Ca -0.50 -0.47 -0.09 0.00 -1.23 0.00 0.00 61.79 59.51 1f4x h SER 8 Cb 1.24 -0.15 -0.20 0.00 -0.44 0.00 0.00 62.40 62.85 1f4x h SER 8 CO 0.63 0.90 -0.05 0.00 -0.53 0.00 0.00 176.83 177.78 1f4x s ALA 9 N -4.37 -1.29 0.02 6.23 0.00 -1.26 -1.66 121.76 119.43 1f4x s ALA 9 Ca -0.13 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 1f4x s ALA 9 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1f4x s ALA 9 CO 0.79 -0.30 -0.03 -0.51 0.00 0.00 0.00 175.76 175.70 1f4x s LEU 10 N -0.91 2.26 -0.08 0.00 2.01 -0.08 -4.92 118.68 116.98 1f4x s LEU 10 Ca -0.09 -0.55 0.03 0.00 0.01 0.00 0.00 54.13 53.52 1f4x s LEU 10 Cb -0.03 0.11 0.01 0.00 0.01 0.00 0.00 46.19 46.29 1f4x s LEU 10 CO 0.06 -0.33 -0.16 -0.89 1.01 0.00 0.00 176.35 176.04 1f4x s THR 11 N -1.69 1.44 0.36 5.49 2.01 -1.26 -0.59 115.64 121.40 1f4x s THR 11 Ca -0.14 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1f4x s THR 11 Cb -0.08 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 1f4x s THR 11 CO -0.02 0.42 0.18 0.28 -0.69 0.00 0.00 174.62 174.79 1f4x s THR 12 N 0.59 0.35 0.26 -0.82 -1.32 0.98 -4.97 115.64 110.72 1f4x s THR 12 Ca -0.15 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.44 1f4x s THR 12 Cb -0.16 -2.43 -0.05 0.00 -1.51 0.00 0.00 72.50 68.35 1f4x s THR 12 CO 0.05 0.00 -0.15 -0.44 -2.21 0.00 0.00 174.62 171.87 1f4x s SER 13 N -3.48 3.86 0.09 8.08 0.01 -1.26 -1.89 113.70 119.10 1f4x s SER 13 Ca 0.31 -0.89 -0.31 0.00 1.31 0.00 0.00 55.95 56.38 1f4x s SER 13 Cb 0.03 -0.46 -0.08 0.00 0.21 0.00 0.00 66.02 65.72 1f4x s SER 13 CO 0.19 0.04 1.55 -2.84 0.41 0.00 0.00 173.24 172.60 1f4x s PRO 14 N -3.42 4.23 0.00 12.44 0.02 -1.26 -2.46 135.00 144.55 1f4x s PRO 14 Ca 0.29 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1f4x s PRO 14 Cb -0.06 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1f4x s PRO 14 CO 0.16 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1f4x n GLY 15 N 3.81 1.07 3.99 0.52 0.00 0.48 -4.92 105.19 110.13 1f4x n GLY 15 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1f4x n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f4x s GLU 16 N -0.73 1.52 -0.15 1.61 2.02 -1.03 -3.89 118.70 118.06 1f4x s GLU 16 Ca 0.00 -1.05 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1f4x s GLU 16 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1f4x s GLU 16 CO 0.00 -1.59 -0.19 0.99 0.02 0.00 0.00 175.26 174.50 1f4x s THR 17 N -3.24 2.38 0.17 3.63 2.01 -1.26 0.20 115.64 119.52 1f4x s THR 17 Ca 0.67 -0.87 0.11 0.00 0.31 0.00 0.00 61.69 61.91 1f4x s THR 17 Cb -0.05 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1f4x s THR 17 CO 0.45 0.53 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.99 1f4x s VAL 18 N 0.79 2.38 -0.05 3.82 1.01 -0.94 -5.00 120.40 122.41 1f4x s VAL 18 Ca -0.07 -1.89 0.02 0.00 0.00 0.00 0.00 61.98 60.04 1f4x s VAL 18 Cb -0.16 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1f4x s VAL 18 CO -0.00 -0.03 -0.10 -0.89 0.00 0.00 0.00 175.10 174.07 1f4x s THR 19 N -1.43 0.94 0.03 3.92 2.01 -1.26 -1.79 115.64 118.06 1f4x s THR 19 Ca 0.18 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1f4x s THR 19 Cb -0.09 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1f4x s THR 19 CO 0.09 0.30 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.42 1f4x s LEU 20 N 0.54 2.81 0.27 4.42 1.43 0.55 -4.95 118.68 123.76 1f4x s LEU 20 Ca -0.10 -0.32 0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1f4x s LEU 20 Cb -0.13 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1f4x s LEU 20 CO 0.02 0.26 -0.15 0.42 0.23 0.00 0.00 176.35 177.13 1f4x s THR 21 N -0.95 2.13 -0.09 5.49 -4.23 -1.26 -0.99 115.64 115.73 1f4x s THR 21 Ca 0.16 -2.29 -0.03 0.00 -1.18 0.00 0.00 61.69 58.34 1f4x s THR 21 Cb -0.11 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1f4x s THR 21 CO 0.06 -0.41 0.07 0.00 -0.54 0.00 0.00 174.62 173.80 1f4x s ARG 23 N 2.16 2.00 0.12 0.00 3.00 -0.77 -1.52 118.95 123.94 1f4x s ARG 23 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 55.73 54.75 1f4x s ARG 23 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 34.95 32.58 1f4x s ARG 23 CO -0.05 0.52 0.21 0.45 0.00 0.00 0.00 175.30 176.42 1f4x s SER 24 N -1.80 6.06 0.39 0.23 0.15 -1.26 -0.11 113.70 117.35 1f4x s SER 24 Ca 0.17 0.10 0.22 0.00 0.70 0.00 0.00 55.95 57.15 1f4x s SER 24 Cb -0.11 -1.76 0.26 0.00 -1.71 0.00 0.00 66.02 62.70 1f4x s SER 24 CO 0.08 0.10 1.50 0.77 1.20 0.00 0.00 173.24 176.89 1f4x h SER 25 N 2.58 0.00 -0.04 5.45 4.64 -1.54 -3.17 113.55 121.47 1f4x h SER 25 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1f4x h SER 25 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1f4x h SER 25 CO 0.69 0.05 0.04 0.74 -0.87 0.00 0.00 176.83 177.48 1f4x h THR 26 N 0.00 0.56 0.00 2.95 2.02 -1.95 -3.47 112.91 113.02 1f4x h THR 26 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1f4x h THR 26 Cb 1.04 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1f4x h THR 26 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 1f4x n GLY 27 N -1.36 2.73 2.94 2.16 0.00 -1.20 -5.08 105.19 105.38 1f4x n GLY 27 Ca -0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1f4x n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4x s THR 28 N 0.00 -0.04 0.24 2.61 2.01 -1.26 -4.83 115.64 114.37 1f4x s THR 28 Ca 0.00 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 1f4x s THR 28 Cb 0.00 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.20 1f4x s THR 28 CO 0.00 0.06 0.83 -0.69 -0.69 0.00 0.00 174.62 174.13 1f4x s VAL 29 N 0.92 4.35 0.26 3.82 1.01 0.13 -5.00 120.40 125.90 1f4x s VAL 29 Ca -0.07 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.59 1f4x s VAL 29 Cb -0.09 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1f4x s VAL 29 CO -0.05 0.31 0.07 -0.89 0.00 0.00 0.00 175.10 174.54 1f4x s THR 30 N -1.41 0.79 0.52 3.92 2.01 -1.26 -4.63 115.64 115.58 1f4x s THR 30 Ca 0.43 -2.00 0.25 0.00 0.31 0.00 0.00 61.69 60.67 1f4x s THR 30 Cb -0.20 -2.59 0.40 0.00 0.01 0.00 0.00 72.50 70.11 1f4x s THR 30 CO 0.25 -0.08 1.98 0.74 -0.69 0.00 0.00 174.62 176.82 1f4x h THR 31 N 2.36 0.73 -0.26 -0.82 2.02 -1.99 -0.12 112.91 114.83 1f4x h THR 31 Ca -0.39 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1f4x h THR 31 Cb 1.24 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1f4x h THR 31 CO 0.64 0.01 0.00 -1.54 0.37 0.00 0.00 175.52 174.99 1f4x n SER 32 N -4.38 2.06 -0.06 4.18 3.41 -1.26 -2.44 113.62 115.13 1f4x n SER 32 Ca 0.11 -2.15 0.09 0.00 -0.26 0.00 0.00 58.87 56.66 1f4x n SER 32 Cb 0.61 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1f4x n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1f4x n ASN 33 N 0.29 1.05 -4.01 4.04 5.03 -0.06 -4.77 115.26 116.84 1f4x n ASN 33 Ca 0.10 -1.03 -0.28 0.00 0.87 0.00 0.00 54.58 54.25 1f4x n ASN 33 Cb 0.40 0.93 -0.08 0.00 -1.02 0.00 0.00 39.78 40.01 1f4x n ASN 33 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1f4x n TYR 34 N -1.27 -1.02 -1.48 3.10 4.01 -1.02 -0.75 117.16 118.73 1f4x n TYR 34 Ca 0.04 0.52 -0.53 0.00 -0.16 0.00 0.00 57.90 57.77 1f4x n TYR 34 Cb 0.32 -2.16 -0.05 0.00 -0.31 0.00 0.00 39.34 37.14 1f4x n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1f4x n ALA 35 N -3.86 -2.79 -2.45 -0.72 0.00 -1.26 -3.53 120.51 105.90 1f4x n ALA 35 Ca -0.20 0.52 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 1f4x n ALA 35 Cb 0.54 -1.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 1f4x n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1f4x s ASN 36 N -0.34 3.03 -0.14 0.00 0.01 -0.61 -0.49 114.94 116.41 1f4x s ASN 36 Ca 0.78 -0.75 -0.00 0.00 -0.71 0.00 0.00 52.86 52.18 1f4x s ASN 36 Cb -1.07 -0.19 0.03 0.00 0.41 0.00 0.00 41.25 40.43 1f4x s ASN 36 CO 0.56 0.12 -0.07 0.26 -1.51 0.00 0.00 177.10 176.45 1f4x s TRP 37 N -1.21 1.66 -0.13 2.20 0.52 -0.27 -1.09 118.94 120.62 1f4x s TRP 37 Ca 0.12 -0.95 -0.00 0.00 0.02 0.00 0.00 56.10 55.29 1f4x s TRP 37 Cb -0.10 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 1f4x s TRP 37 CO 0.06 -0.58 -0.13 0.08 0.02 0.00 0.00 176.95 176.40 1f4x s VAL 38 N 1.65 3.05 -0.05 4.03 1.01 0.17 -0.83 120.40 129.43 1f4x s VAL 38 Ca 0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1f4x s VAL 38 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1f4x s VAL 38 CO -0.08 0.52 0.35 -1.58 0.00 0.00 0.00 175.10 174.32 1f4x s GLN 39 N 0.34 3.92 -0.31 2.72 0.74 0.15 -0.81 119.66 126.41 1f4x s GLN 39 Ca -0.11 0.28 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 1f4x s GLN 39 Cb -0.16 -3.26 0.03 0.00 1.10 0.00 0.00 33.01 30.72 1f4x s GLN 39 CO 0.06 0.60 0.05 -2.00 -0.55 0.00 0.00 175.29 173.45 1f4x s GLU 40 N -0.71 2.71 0.29 1.67 2.12 0.15 -1.71 118.70 123.22 1f4x s GLU 40 Ca 0.21 -1.10 0.08 0.00 0.36 0.00 0.00 54.97 54.52 1f4x s GLU 40 Cb -0.15 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1f4x s GLU 40 CO 0.10 -0.57 0.20 0.15 -0.54 0.00 0.00 175.26 174.60 1f4x s LYS 41 N 1.38 2.70 0.15 4.30 1.02 -0.26 -2.44 119.74 126.59 1f4x s LYS 41 Ca -0.01 -1.25 -0.34 0.00 0.02 0.00 0.00 55.97 54.38 1f4x s LYS 41 Cb -0.19 -2.43 -0.15 0.00 -0.52 0.00 0.00 37.83 34.54 1f4x s LYS 41 CO 0.01 0.25 1.36 -2.30 -0.92 0.00 0.00 175.35 173.75 1f4x n PRO 42 N -1.21 1.51 -1.28 -1.68 -0.02 -1.26 -1.59 135.00 129.48 1f4x n PRO 42 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1f4x n PRO 42 Cb 0.59 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1f4x n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1f4x n ASP 43 N 2.54 -1.03 -4.16 2.55 8.00 -1.26 -4.49 116.55 118.70 1f4x n ASP 43 Ca 0.16 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.32 1f4x n ASP 43 Cb 0.24 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1f4x n ASP 43 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1f4x n HIS 44 N -1.26 -1.72 -3.37 1.24 8.25 -0.98 -4.93 115.22 112.46 1f4x n HIS 44 Ca 0.00 0.78 -0.43 0.00 -0.26 0.00 0.00 57.72 57.82 1f4x n HIS 44 Cb 0.26 -3.14 -0.09 0.00 1.12 0.00 0.00 29.99 28.14 1f4x n HIS 44 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1f4x s LEU 45 N -7.21 4.89 -0.11 2.41 2.96 -0.62 -4.97 118.68 116.03 1f4x s LEU 45 Ca 0.56 -0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1f4x s LEU 45 Cb -0.30 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1f4x s LEU 45 CO 0.92 -0.52 0.18 -0.36 -1.32 0.00 0.00 176.35 175.25 1f4x s PHE 46 N 2.00 3.60 -0.06 5.38 0.08 -1.26 -1.10 117.98 126.61 1f4x s PHE 46 Ca 0.10 0.58 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 1f4x s PHE 46 Cb -0.18 -2.02 0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1f4x s PHE 46 CO 0.12 0.67 0.01 0.99 -0.10 0.00 0.00 175.22 176.92 1f4x s THR 47 N -0.87 0.25 0.03 0.64 2.01 -0.69 -5.00 115.64 112.01 1f4x s THR 47 Ca 0.16 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 1f4x s THR 47 Cb -0.13 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1f4x s THR 47 CO 0.05 0.23 1.20 -0.83 -0.69 0.00 0.00 174.62 174.58 1f4x s GLY 48 N 1.85 2.33 -0.22 4.40 0.00 -1.26 -0.67 107.32 113.74 1f4x s GLY 48 Ca 0.02 0.78 -0.10 0.00 0.00 0.00 0.00 44.72 45.43 1f4x s GLY 48 CO -0.04 2.09 -0.28 1.04 0.00 0.00 0.00 173.10 175.91 1f4x n LEU 49 N 4.30 1.75 -3.96 0.66 4.32 -0.01 -4.79 117.00 119.26 1f4x n LEU 49 Ca 0.09 0.23 -0.17 0.00 -0.02 0.00 0.00 56.01 56.14 1f4x n LEU 49 Cb 0.46 -0.67 -0.15 0.00 -1.62 0.00 0.00 43.42 41.44 1f4x n LEU 49 CO 0.55 0.51 -0.41 -0.63 -1.22 0.00 0.00 177.39 176.20 1f4x s ILE 50 N -2.41 0.52 0.32 -0.08 -1.09 -1.07 -1.46 121.20 115.92 1f4x s ILE 50 Ca -0.31 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 57.92 1f4x s ILE 50 Cb 0.12 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.50 1f4x s ILE 50 CO 0.41 0.16 0.21 -0.83 -1.23 0.00 0.00 174.94 173.66 1f4x s GLY 51 N 0.08 2.21 -1.45 6.18 0.00 0.90 -1.12 107.32 114.13 1f4x s GLY 51 Ca -0.01 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 1f4x s GLY 51 CO -0.00 -1.55 0.55 0.00 0.00 0.00 0.00 173.10 172.10 1f4x n ALA 52 N -0.62 -1.84 0.00 3.20 0.00 -1.10 0.21 120.51 120.36 1f4x n ALA 52 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1f4x n ALA 52 Cb 0.64 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1f4x n ALA 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1f4x n THR 53 N -4.41 0.00 -1.42 0.00 -1.04 0.35 -3.74 114.28 104.03 1f4x n THR 53 Ca -0.22 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.79 1f4x n THR 53 Cb 0.64 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.16 1f4x n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1f4x n ASN 54 N 1.59 0.28 -4.59 8.00 2.04 -1.10 -3.55 115.26 117.92 1f4x n ASN 54 Ca 0.00 -1.68 -0.41 0.00 -0.44 0.00 0.00 54.58 52.05 1f4x n ASN 54 Cb 0.00 -0.12 -0.07 0.00 -2.53 0.00 0.00 39.78 37.06 1f4x n ASN 54 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1f4x s ASN 55 N -0.73 6.44 0.19 0.53 -0.87 0.13 -4.61 114.94 116.01 1f4x s ASN 55 Ca 0.02 0.31 -0.30 0.00 -1.57 0.00 0.00 52.86 51.32 1f4x s ASN 55 Cb 0.02 -2.31 -0.08 0.00 -0.02 0.00 0.00 41.25 38.86 1f4x s ASN 55 CO 0.00 -0.47 1.01 -0.60 -2.57 0.00 0.00 177.10 174.48 1f4x s ARG 56 N 2.53 4.71 0.86 -0.60 3.52 -1.26 -0.07 118.95 128.64 1f4x s ARG 56 Ca 0.23 1.58 -0.12 0.00 -0.13 0.00 0.00 55.73 57.30 1f4x s ARG 56 Cb -0.15 -3.30 0.10 0.00 -1.56 0.00 0.00 34.95 30.05 1f4x s ARG 56 CO 0.12 0.26 1.10 0.00 -0.81 0.00 0.00 175.30 175.97 1f4x s ALA 57 N -0.55 1.85 0.27 6.12 0.00 -0.54 -4.94 121.76 123.98 1f4x s ALA 57 Ca 0.46 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1f4x s ALA 57 Cb -0.27 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1f4x s ALA 57 CO 0.33 -2.09 1.22 0.00 0.00 0.00 0.00 175.76 175.22 1f4x s ALA 58 N -3.05 3.46 0.00 0.00 0.00 -1.26 -2.82 121.76 118.09 1f4x s ALA 58 Ca 0.62 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1f4x s ALA 58 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1f4x s ALA 58 CO 0.56 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1f4x n GLY 59 N 1.41 1.49 3.68 0.00 0.00 -1.26 -5.00 105.19 105.51 1f4x n GLY 59 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1f4x n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f4x s VAL 60 N -3.27 4.93 0.31 1.61 1.01 -1.13 -5.00 120.40 118.87 1f4x s VAL 60 Ca 0.00 1.59 -0.26 0.00 0.00 0.00 0.00 61.98 63.31 1f4x s VAL 60 Cb 0.00 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1f4x s VAL 60 CO 0.00 0.10 0.75 -2.65 0.00 0.00 0.00 175.10 173.30 1f4x n PRO 61 N 4.73 0.78 0.13 2.72 -0.02 -1.26 -4.86 135.00 137.23 1f4x n PRO 61 Ca 0.03 0.28 0.16 0.00 -2.02 0.00 0.00 63.50 61.94 1f4x n PRO 61 Cb 0.50 -1.54 0.71 0.00 -0.02 0.00 0.00 33.50 33.15 1f4x n PRO 61 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1f4x h VAL 62 N 1.37 0.74 0.00 -1.45 3.04 -1.98 -2.90 116.25 115.07 1f4x h VAL 62 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1f4x h VAL 62 Cb 1.38 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1f4x h VAL 62 CO 0.57 0.00 0.00 -2.11 -1.01 0.00 0.00 177.57 175.02 1f4x n ARG 63 N -4.27 0.01 -3.40 4.17 1.85 -1.26 -4.60 116.66 109.15 1f4x n ARG 63 Ca 0.04 0.42 -0.38 0.00 -1.00 0.00 0.00 57.85 56.92 1f4x n ARG 63 Cb 0.37 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.22 1f4x n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1f4x s PHE 64 N -2.93 3.65 0.04 2.89 0.40 -1.10 -1.45 117.98 119.48 1f4x s PHE 64 Ca 0.02 0.98 -0.06 0.00 -0.60 0.00 0.00 56.93 57.26 1f4x s PHE 64 Cb 0.02 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 1f4x s PHE 64 CO 0.05 0.44 0.12 -1.12 0.70 0.00 0.00 175.22 175.41 1f4x s SER 65 N -0.37 0.15 0.19 1.36 0.01 -0.68 -4.98 113.70 109.37 1f4x s SER 65 Ca 0.25 -0.51 0.11 0.00 1.31 0.00 0.00 55.95 57.11 1f4x s SER 65 Cb -0.16 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 1f4x s SER 65 CO 0.13 -0.53 -0.23 -0.83 0.41 0.00 0.00 173.24 172.19 1f4x s GLY 66 N -2.17 1.64 0.20 3.44 0.00 -1.26 -1.07 107.32 108.09 1f4x s GLY 66 Ca -0.04 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 42.84 1f4x s GLY 66 CO -0.05 -1.64 0.88 -1.35 0.00 0.00 0.00 173.10 170.94 1f4x s SER 67 N -2.68 -0.20 -0.14 1.64 1.04 -0.75 -4.45 113.70 108.17 1f4x s SER 67 Ca 0.20 -0.49 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1f4x s SER 67 Cb -0.07 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1f4x s SER 67 CO 0.09 -1.07 0.01 -0.76 0.98 0.00 0.00 173.24 172.49 1f4x s LEU 68 N -2.95 3.58 -0.05 2.42 2.01 -1.26 -0.27 118.68 122.16 1f4x s LEU 68 Ca 0.12 0.04 -0.00 0.00 0.01 0.00 0.00 54.13 54.30 1f4x s LEU 68 Cb -0.03 -1.86 0.03 0.00 0.01 0.00 0.00 46.19 44.33 1f4x s LEU 68 CO 0.04 0.24 -0.00 -0.63 1.01 0.00 0.00 176.35 177.01 1f4x s ILE 69 N -0.05 0.30 -1.23 -0.59 1.01 0.10 -4.91 121.20 115.84 1f4x s ILE 69 Ca 0.04 0.10 -0.25 0.00 0.00 0.00 0.00 60.65 60.54 1f4x s ILE 69 Cb -0.13 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1f4x s ILE 69 CO 0.02 0.21 0.65 0.61 0.00 0.00 0.00 174.94 176.43 1f4x n GLY 70 N 4.69 -0.78 3.30 6.18 0.00 -1.26 -1.21 105.19 116.11 1f4x n GLY 70 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1f4x n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4x n GLY 71 N -1.98 0.47 3.43 -0.02 0.00 -1.26 -5.00 105.19 100.83 1f4x n GLY 71 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1f4x n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f4x s LYS 72 N -0.56 1.57 0.27 1.61 1.02 -0.35 0.22 119.74 123.52 1f4x s LYS 72 Ca 0.00 -1.71 -0.06 0.00 0.02 0.00 0.00 55.97 54.22 1f4x s LYS 72 Cb 0.00 -1.59 -0.06 0.00 -0.52 0.00 0.00 37.83 35.67 1f4x s LYS 72 CO 0.00 0.29 0.54 0.00 -0.92 0.00 0.00 175.35 175.27 1f4x s ALA 73 N -2.60 3.62 0.02 5.17 0.00 -0.57 0.01 121.76 127.41 1f4x s ALA 73 Ca 0.27 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1f4x s ALA 73 Cb -0.04 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 1f4x s ALA 73 CO 0.12 0.32 -0.04 0.00 0.00 0.00 0.00 175.76 176.17 1f4x s ALA 74 N -2.00 0.27 -0.11 0.00 0.00 0.63 -1.06 121.76 119.48 1f4x s ALA 74 Ca 0.45 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1f4x s ALA 74 Cb -0.11 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1f4x s ALA 74 CO 0.28 -0.07 -0.23 -1.17 0.00 0.00 0.00 175.76 174.56 1f4x s LEU 75 N -1.19 2.12 0.00 0.00 2.96 -0.16 -1.80 118.68 120.60 1f4x s LEU 75 Ca -0.11 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1f4x s LEU 75 Cb -0.08 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1f4x s LEU 75 CO -0.00 0.14 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.09 1f4x s THR 76 N 0.44 2.72 -0.23 3.68 2.01 -0.24 -0.33 115.64 123.70 1f4x s THR 76 Ca -0.16 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.82 1f4x s THR 76 Cb -0.17 -2.09 0.05 0.00 0.01 0.00 0.00 72.50 70.30 1f4x s THR 76 CO 0.07 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.70 1f4x s ILE 77 N -0.81 1.98 -0.39 1.82 1.01 -0.74 -1.68 121.20 122.39 1f4x s ILE 77 Ca 0.13 -1.31 -0.15 0.00 0.00 0.00 0.00 60.65 59.32 1f4x s ILE 77 Cb -0.10 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1f4x s ILE 77 CO 0.03 0.14 0.34 -0.89 0.00 0.00 0.00 174.94 174.56 1f4x s THR 78 N 1.23 5.20 0.00 2.92 2.01 -0.53 -2.21 115.64 124.25 1f4x s THR 78 Ca -0.04 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1f4x s THR 78 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1f4x s THR 78 CO -0.08 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1f4x n GLY 79 N 5.10 0.49 3.69 4.40 0.00 -0.25 -4.73 105.19 113.89 1f4x n GLY 79 Ca -0.10 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1f4x n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4x n ALA 80 N -0.60 1.46 -2.71 4.61 0.00 0.13 -4.46 120.51 118.94 1f4x n ALA 80 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 1f4x n ALA 80 Cb 0.29 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 1f4x n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1f4x s GLN 81 N -0.73 2.55 0.35 0.00 -1.52 -1.26 -0.39 119.66 118.65 1f4x s GLN 81 Ca 0.65 -1.15 0.11 0.00 -1.95 0.00 0.00 55.36 53.02 1f4x s GLN 81 Cb -0.60 -2.38 0.90 0.00 -0.22 0.00 0.00 33.01 30.71 1f4x s GLN 81 CO 0.52 0.42 1.78 1.15 -0.25 0.00 0.00 175.29 178.91 1f4x h THR 82 N 2.04 0.63 0.00 -0.19 2.02 -1.94 0.20 112.91 115.68 1f4x h THR 82 Ca -0.47 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1f4x h THR 82 Cb 1.22 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1f4x h THR 82 CO 0.60 0.11 0.00 -1.84 0.37 0.00 0.00 175.52 174.76 1f4x n GLU 83 N -4.71 0.70 0.00 6.66 0.00 -1.26 -2.58 120.64 119.45 1f4x n GLU 83 Ca 0.24 0.01 0.14 0.00 0.00 0.00 0.00 57.16 57.55 1f4x n GLU 83 Cb 0.69 -1.50 0.67 0.00 0.00 0.00 0.00 31.44 31.30 1f4x n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f4x n ASP 84 N -1.05 0.22 -4.64 -1.84 8.00 0.70 -4.80 116.55 113.15 1f4x n ASP 84 Ca 0.17 -0.29 -0.43 0.00 0.71 0.00 0.00 54.79 54.95 1f4x n ASP 84 Cb 0.10 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1f4x n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1f4x s GLU 85 N -2.57 3.92 -0.01 -1.24 2.12 -1.07 -4.84 118.70 115.01 1f4x s GLU 85 Ca 0.27 1.67 -0.12 0.00 0.36 0.00 0.00 54.97 57.15 1f4x s GLU 85 Cb 0.20 -3.97 0.04 0.00 0.26 0.00 0.00 34.13 30.66 1f4x s GLU 85 CO 0.48 -1.14 0.53 0.00 -0.54 0.00 0.00 175.26 174.60 1f4x n ALA 86 N 7.92 -1.51 -2.67 6.30 0.00 -0.80 -4.99 120.51 124.76 1f4x n ALA 86 Ca 0.17 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1f4x n ALA 86 Cb 0.45 0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1f4x n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f4x s ILE 87 N -2.10 3.76 -0.18 0.00 -1.09 -1.02 -1.31 121.20 119.26 1f4x s ILE 87 Ca 0.13 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1f4x s ILE 87 Cb -0.00 -2.56 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1f4x s ILE 87 CO -0.00 0.58 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.80 1f4x s TYR 88 N -0.59 2.65 0.04 3.97 1.51 -0.26 0.31 117.35 124.98 1f4x s TYR 88 Ca 0.09 -1.60 0.02 0.00 -1.01 0.00 0.00 57.07 54.57 1f4x s TYR 88 Cb -0.12 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1f4x s TYR 88 CO 0.02 -0.78 0.05 -0.06 -1.11 0.00 0.00 175.55 173.67 1f4x s PHE 89 N 1.33 3.16 0.13 2.71 0.40 0.01 -0.09 117.98 125.63 1f4x s PHE 89 Ca 0.04 0.10 0.10 0.00 -0.60 0.00 0.00 56.93 56.56 1f4x s PHE 89 Cb -0.14 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1f4x s PHE 89 CO -0.12 0.51 -0.21 0.00 0.70 0.00 0.00 175.22 176.10 1f4x s ALA 91 N -1.21 0.67 -0.07 0.00 0.00 -0.25 -1.42 121.76 119.48 1f4x s ALA 91 Ca 0.17 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1f4x s ALA 91 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1f4x s ALA 91 CO 0.09 0.15 -0.17 -0.51 0.00 0.00 0.00 175.76 175.32 1f4x s LEU 92 N -0.12 2.54 -0.23 0.00 1.43 -0.25 -1.57 118.68 120.47 1f4x s LEU 92 Ca 0.02 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.65 1f4x s LEU 92 Cb -0.04 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1f4x s LEU 92 CO -0.00 0.28 0.42 0.86 0.23 0.00 0.00 176.35 178.13 1f4x s TRP 93 N -0.36 3.32 -0.67 0.29 -0.11 0.07 -0.26 118.94 121.23 1f4x s TRP 93 Ca 0.03 0.56 0.05 0.00 1.22 0.00 0.00 56.10 57.96 1f4x s TRP 93 Cb -0.12 -2.58 0.16 0.00 -1.50 0.00 0.00 33.47 29.43 1f4x s TRP 93 CO 0.02 -0.13 0.45 0.71 -4.62 0.00 0.00 176.95 173.38 1f4x s TYR 94 N 1.73 3.50 -0.82 5.86 2.02 0.14 -4.28 117.35 125.51 1f4x s TYR 94 Ca 0.18 -3.30 -0.17 0.00 -0.37 0.00 0.00 57.07 53.41 1f4x s TYR 94 Cb -0.15 -2.75 0.02 0.00 -0.40 0.00 0.00 41.96 38.68 1f4x s TYR 94 CO 0.09 -0.59 0.50 -1.13 -1.57 0.00 0.00 175.55 172.84 1f4x n SER 95 N 2.22 -3.31 0.00 2.29 3.41 -1.26 -1.88 113.62 115.08 1f4x n SER 95 Ca 0.17 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1f4x n SER 95 Cb 0.34 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1f4x n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f4x n GLY 96 N -1.67 2.87 3.49 5.00 0.00 -1.26 -5.08 105.19 108.55 1f4x n GLY 96 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1f4x n GLY 96 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f4x s HIS 97 N -2.52 2.84 0.13 1.61 4.02 -0.79 -5.12 115.29 115.46 1f4x s HIS 97 Ca 0.00 -0.20 -0.10 0.00 1.02 0.00 0.00 55.06 55.78 1f4x s HIS 97 Cb 0.00 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.58 29.77 1f4x s HIS 97 CO 0.00 0.14 0.45 -1.58 1.02 0.00 0.00 174.74 174.77 1f4x s TRP 98 N -0.44 3.54 -0.07 1.40 0.52 -1.26 0.28 118.94 122.91 1f4x s TRP 98 Ca 0.06 0.82 -0.01 0.00 0.02 0.00 0.00 56.10 56.98 1f4x s TRP 98 Cb -0.12 -2.19 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1f4x s TRP 98 CO 0.02 0.44 -0.01 0.08 0.02 0.00 0.00 176.95 177.50 1f4x s VAL 99 N -1.54 0.45 0.13 4.03 1.01 0.65 -4.94 120.40 120.19 1f4x s VAL 99 Ca 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1f4x s VAL 99 Cb -0.13 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1f4x s VAL 99 CO 0.20 0.26 0.33 -0.36 0.00 0.00 0.00 175.10 175.54 1f4x s PHE 100 N 1.81 3.49 0.76 5.22 0.08 -1.26 -1.09 117.98 126.99 1f4x s PHE 100 Ca 0.03 0.43 -0.08 0.00 0.12 0.00 0.00 56.93 57.43 1f4x s PHE 100 Cb -0.13 -1.91 0.10 0.00 -0.57 0.00 0.00 43.02 40.51 1f4x s PHE 100 CO -0.05 0.47 1.07 0.20 -0.10 0.00 0.00 175.22 176.81 1f4x s GLY 101 N -2.59 1.71 0.20 4.36 0.00 -0.51 -4.62 107.32 105.87 1f4x s GLY 101 Ca 0.39 -1.10 0.24 0.00 0.00 0.00 0.00 44.72 44.25 1f4x s GLY 101 CO 0.26 -0.59 1.72 0.61 0.00 0.00 0.00 173.10 175.10 1f4x n GLY 102 N -3.08 -1.41 0.00 0.20 0.00 -1.26 -4.69 105.19 94.96 1f4x n GLY 102 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1f4x n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4x n GLY 103 N 0.54 0.86 3.38 -0.02 0.00 -1.26 -5.01 105.19 103.68 1f4x n GLY 103 Ca 0.04 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 1f4x n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4x s THR 104 N -1.32 2.75 -0.40 2.61 2.01 0.87 -4.53 115.64 117.64 1f4x s THR 104 Ca 0.00 -0.81 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 1f4x s THR 104 Cb 0.00 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.44 1f4x s THR 104 CO 0.00 0.56 0.58 -0.54 -0.69 0.00 0.00 174.62 174.53 1f4x s LYS 105 N -0.20 3.41 -0.26 4.92 1.02 -0.66 -1.11 119.74 126.86 1f4x s LYS 105 Ca -0.01 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.59 1f4x s LYS 105 Cb -0.13 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.24 1f4x s LYS 105 CO 0.03 -0.85 0.14 -1.17 -0.92 0.00 0.00 175.35 172.58 1f4x s LEU 106 N 2.60 3.81 -0.16 3.17 2.96 -0.43 -0.90 118.68 129.73 1f4x s LEU 106 Ca 0.20 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.97 1f4x s LEU 106 Cb -0.15 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1f4x s LEU 106 CO 0.16 -0.01 0.13 -0.89 -1.32 0.00 0.00 176.35 174.42 1f4x s THR 107 N 1.53 5.45 -0.33 3.68 2.01 0.25 -1.91 115.64 126.32 1f4x s THR 107 Ca 0.06 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1f4x s THR 107 Cb -0.15 -3.44 0.10 0.00 0.01 0.00 0.00 72.50 69.02 1f4x s THR 107 CO 0.07 0.52 0.04 -0.69 -0.69 0.00 0.00 174.62 173.87 1f4x s VAL 108 N -0.29 2.08 -0.89 3.82 1.01 -1.26 -0.01 120.40 124.86 1f4x s VAL 108 Ca 0.11 -2.15 -0.34 0.00 0.00 0.00 0.00 61.98 59.61 1f4x s VAL 108 Cb -0.11 -2.51 -0.21 0.00 0.00 0.00 0.00 36.38 33.54 1f4x s VAL 108 CO 0.01 -0.55 2.58 0.18 0.00 0.00 0.00 175.10 177.32 1f4x n LEU 109 N 4.35 0.40 -0.53 3.92 4.77 -0.79 -4.75 117.00 124.37 1f4x n LEU 109 Ca 0.01 0.28 0.06 0.00 -0.03 0.00 0.00 56.01 56.33 1f4x n LEU 109 Cb 0.42 -0.92 0.15 0.00 -2.33 0.00 0.00 43.42 40.74 1f4x n LEU 109 CO 0.21 -0.74 0.62 0.61 -1.33 0.00 0.00 177.39 176.76 1f4x n GLY 110 N 6.70 3.44 3.58 -0.72 0.00 -1.26 -4.45 105.19 112.48 1f4x n GLY 110 Ca 0.64 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1f4x n GLY 110 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f4x s GLN 111 N -1.76 0.39 0.66 1.61 -2.07 -1.26 -5.15 119.66 112.08 1f4x s GLN 111 Ca 0.26 -0.11 -0.18 0.00 -1.82 0.00 0.00 55.36 53.51 1f4x s GLN 111 Cb 0.18 0.18 -0.00 0.00 -1.09 0.00 0.00 33.01 32.28 1f4x s GLN 111 CO 0.09 -0.17 1.29 -2.14 -1.32 0.00 0.00 175.29 173.05 1f4x s PRO 112 N -2.32 2.45 0.39 9.60 0.02 -1.26 -4.93 135.00 138.95 1f4x s PRO 112 Ca 0.08 2.05 -0.27 0.00 0.02 0.00 0.00 61.00 62.87 1f4x s PRO 112 Cb -0.01 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.57 1f4x s PRO 112 CO -0.05 -1.67 1.44 1.63 -0.33 0.00 0.00 177.00 178.02 1f4x n LYS 113 N -2.04 2.50 -4.00 5.54 5.02 -1.26 -4.89 118.16 119.02 1f4x n LYS 113 Ca 0.16 0.88 -0.24 0.00 -2.02 0.00 0.00 58.31 57.08 1f4x n LYS 113 Cb 0.48 -2.60 -0.17 0.00 -0.02 0.00 0.00 35.03 32.72 1f4x n LYS 113 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1f4x s SER 114 N -0.23 1.72 0.44 4.39 0.15 0.86 -4.96 113.70 116.07 1f4x s SER 114 Ca 0.55 -0.21 -0.23 0.00 0.70 0.00 0.00 55.95 56.76 1f4x s SER 114 Cb -0.49 -0.65 -0.08 0.00 -1.71 0.00 0.00 66.02 63.10 1f4x s SER 114 CO 0.62 -0.11 1.13 -0.44 1.20 0.00 0.00 173.24 175.64 1f4x s SER 115 N 1.50 6.36 0.42 5.45 0.01 -1.26 -1.58 113.70 124.60 1f4x s SER 115 Ca -0.01 2.22 -0.25 0.00 1.31 0.00 0.00 55.95 59.23 1f4x s SER 115 Cb -0.13 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 1f4x s SER 115 CO -0.04 -0.78 1.20 -2.16 0.41 0.00 0.00 173.24 171.87 1f4x s PRO 116 N -2.63 3.95 -0.30 12.44 0.04 -1.26 -4.50 135.00 142.74 1f4x s PRO 116 Ca 0.62 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1f4x s PRO 116 Cb -0.27 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1f4x s PRO 116 CO 0.33 -0.43 0.21 0.45 0.04 0.00 0.00 177.00 177.60 1f4x s SER 117 N -1.08 6.04 -0.10 6.66 0.15 0.54 -4.92 113.70 120.99 1f4x s SER 117 Ca 0.59 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1f4x s SER 117 Cb -0.32 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1f4x s SER 117 CO 0.40 -0.12 -0.09 -0.69 1.20 0.00 0.00 173.24 173.95 1f4x s VAL 118 N 1.75 3.48 -0.06 4.45 1.01 -1.26 -2.07 120.40 127.69 1f4x s VAL 118 Ca 0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1f4x s VAL 118 Cb -0.16 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1f4x s VAL 118 CO 0.11 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 174.86 1f4x s THR 119 N -0.30 0.45 -0.26 3.92 2.01 -0.15 -4.99 115.64 116.32 1f4x s THR 119 Ca 0.04 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1f4x s THR 119 Cb -0.13 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1f4x s THR 119 CO 0.02 0.25 0.04 -0.22 -0.69 0.00 0.00 174.62 174.03 1f4x s LEU 120 N 1.61 3.42 -0.13 4.42 2.96 -1.26 -0.60 118.68 129.11 1f4x s LEU 120 Ca -0.00 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 1f4x s LEU 120 Cb -0.13 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1f4x s LEU 120 CO -0.04 -0.08 0.08 -0.36 -1.32 0.00 0.00 176.35 174.63 1f4x s PHE 121 N 1.55 3.38 0.58 5.38 0.08 0.11 -4.99 117.98 124.06 1f4x s PHE 121 Ca 0.05 0.32 -0.15 0.00 0.12 0.00 0.00 56.93 57.27 1f4x s PHE 121 Cb -0.15 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1f4x s PHE 121 CO 0.02 0.51 1.02 -1.25 -0.10 0.00 0.00 175.22 175.42 1f4x s PRO 122 N -0.62 3.58 0.67 0.24 0.04 -1.26 -2.76 135.00 134.89 1f4x s PRO 122 Ca 0.12 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 1f4x s PRO 122 Cb -0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1f4x s PRO 122 CO 0.02 -0.58 1.26 -1.25 0.04 0.00 0.00 177.00 176.49 1f4x s PRO 123 N -4.40 2.47 0.35 0.56 0.04 -1.23 -4.85 135.00 127.94 1f4x s PRO 123 Ca 0.59 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 1f4x s PRO 123 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1f4x s PRO 123 CO 0.40 -1.63 0.61 -1.54 0.04 0.00 0.00 177.00 174.88 1f4x s SER 124 N -1.61 6.36 0.29 6.66 1.04 -1.26 -4.97 113.70 120.21 1f4x s SER 124 Ca 0.79 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.95 1f4x s SER 124 Cb -0.34 -2.14 0.68 0.00 0.10 0.00 0.00 66.02 64.33 1f4x s SER 124 CO 0.40 -0.32 1.75 0.28 0.98 0.00 0.00 173.24 176.33 1f4x h SER 125 N 1.05 0.57 0.01 7.02 0.02 -1.99 -0.13 113.55 120.10 1f4x h SER 125 Ca -0.48 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 1f4x h SER 125 Cb 1.20 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1f4x h SER 125 CO 0.63 0.17 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.85 1f4x h GLU 126 N 0.60 0.44 0.00 3.45 5.08 -2.00 -2.39 114.58 119.77 1f4x h GLU 126 Ca 0.54 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1f4x h GLU 126 Cb 0.90 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1f4x h GLU 126 CO -0.42 0.71 -0.78 1.49 -1.00 0.00 0.00 179.01 179.01 1f4x h GLU 127 N 0.38 0.00 -0.79 2.33 4.81 -1.43 -3.24 114.58 116.65 1f4x h GLU 127 Ca 0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1f4x h GLU 127 Cb 0.75 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1f4x h GLU 127 CO 0.06 0.78 0.52 -0.07 -0.73 0.00 0.00 179.01 179.57 1f4x h LEU 128 N 0.00 0.82 -1.70 1.64 3.38 -0.62 -0.62 115.31 118.22 1f4x h LEU 128 Ca -0.01 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.12 1f4x h LEU 128 Cb 1.50 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1f4x h LEU 128 CO 0.10 0.56 0.50 -0.08 0.09 0.00 0.00 178.44 179.61 1f4x h GLU 129 N 0.95 0.28 -0.17 1.13 4.57 -1.46 0.88 114.58 120.75 1f4x h GLU 129 Ca 0.32 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1f4x h GLU 129 Cb 0.07 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1f4x h GLU 129 CO -0.10 0.19 0.00 0.25 -1.18 0.00 0.00 179.01 178.17 1f4x n THR 130 N -4.44 0.23 -1.92 0.32 -2.24 -0.24 -4.91 114.28 101.07 1f4x n THR 130 Ca 0.14 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1f4x n THR 130 Cb 0.60 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1f4x n THR 130 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1f4x n ASN 131 N 0.01 -3.71 -4.03 3.42 5.03 0.30 -5.01 115.26 111.27 1f4x n ASN 131 Ca 0.08 0.07 -0.09 0.00 0.87 0.00 0.00 54.58 55.51 1f4x n ASN 131 Cb 0.17 -2.70 -0.11 0.00 -1.02 0.00 0.00 39.78 36.12 1f4x n ASN 131 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1f4x s LYS 132 N -4.01 0.45 -0.06 3.52 1.02 -1.25 -2.06 119.74 117.35 1f4x s LYS 132 Ca 0.00 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 1f4x s LYS 132 Cb 0.00 0.04 0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1f4x s LYS 132 CO 0.00 -0.04 0.11 0.00 -0.92 0.00 0.00 175.35 174.50 1f4x s ALA 133 N -2.12 0.02 -0.21 5.17 0.00 -0.40 -3.61 121.76 120.60 1f4x s ALA 133 Ca -0.08 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1f4x s ALA 133 Cb -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1f4x s ALA 133 CO -0.03 -0.50 0.04 0.99 0.00 0.00 0.00 175.76 176.26 1f4x s THR 134 N 2.16 4.28 -0.16 0.00 2.01 -1.26 -1.79 115.64 120.88 1f4x s THR 134 Ca 0.03 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1f4x s THR 134 Cb -0.12 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1f4x s THR 134 CO -0.04 0.40 0.30 -0.76 -0.69 0.00 0.00 174.62 173.83 1f4x s LEU 135 N 1.05 4.25 -0.12 4.42 1.43 0.06 -3.55 118.68 126.23 1f4x s LEU 135 Ca 0.03 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1f4x s LEU 135 Cb -0.14 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1f4x s LEU 135 CO 0.02 0.11 -0.21 -0.69 0.23 0.00 0.00 176.35 175.81 1f4x s VAL 136 N 0.41 2.24 -0.27 -1.59 1.01 -1.11 -1.30 120.40 119.78 1f4x s VAL 136 Ca 0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1f4x s VAL 136 Cb -0.13 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1f4x s VAL 136 CO 0.04 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.65 1f4x s THR 138 N 1.26 4.06 -0.12 0.00 -4.23 0.23 -0.24 115.64 116.60 1f4x s THR 138 Ca -0.04 -0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1f4x s THR 138 Cb -0.19 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 70.94 1f4x s THR 138 CO -0.03 0.55 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.89 1f4x s ILE 139 N -0.24 1.10 0.35 2.99 1.01 0.31 -0.98 121.20 125.74 1f4x s ILE 139 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1f4x s ILE 139 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1f4x s ILE 139 CO 0.02 0.34 0.18 0.42 0.00 0.00 0.00 174.94 175.91 1f4x s THR 140 N 1.67 0.34 -1.50 2.92 -4.23 -0.88 0.05 115.64 114.02 1f4x s THR 140 Ca 0.04 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1f4x s THR 140 Cb -0.13 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.34 1f4x s THR 140 CO -0.08 0.00 0.95 0.47 -0.54 0.00 0.00 174.62 175.41 1f4x n ASP 141 N -1.26 -5.00 -4.63 3.99 8.00 -0.88 -0.34 116.55 116.44 1f4x n ASP 141 Ca -0.00 -0.70 -0.29 0.00 0.71 0.00 0.00 54.79 54.51 1f4x n ASP 141 Cb 0.64 -3.99 -0.09 0.00 -0.02 0.00 0.00 41.12 37.66 1f4x n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1f4x s PHE 142 N -3.26 2.85 -0.29 1.24 -0.71 -0.55 -4.34 117.98 112.91 1f4x s PHE 142 Ca 0.62 -0.11 -0.14 0.00 -1.04 0.00 0.00 56.93 56.27 1f4x s PHE 142 Cb -0.31 -1.46 0.12 0.00 -1.21 0.00 0.00 43.02 40.16 1f4x s PHE 142 CO 0.77 0.46 0.77 -0.47 -1.34 0.00 0.00 175.22 175.40 1f4x s TYR 143 N -1.33 -1.01 0.81 3.49 6.14 -0.62 -0.23 117.35 124.60 1f4x s TYR 143 Ca 0.24 1.90 -0.11 0.00 0.64 0.00 0.00 57.07 59.74 1f4x s TYR 143 Cb -0.11 0.61 0.08 0.00 0.42 0.00 0.00 41.96 42.96 1f4x s TYR 143 CO 0.16 -0.50 1.11 -2.14 0.64 0.00 0.00 175.55 174.82 1f4x s PRO 144 N 2.06 1.90 0.00 4.97 0.02 -1.26 -0.10 135.00 142.59 1f4x s PRO 144 Ca -0.08 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1f4x s PRO 144 Cb -0.07 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1f4x s PRO 144 CO -0.18 -1.94 0.14 0.41 -0.33 0.00 0.00 177.00 175.10 1f4x n GLY 145 N -0.66 0.31 3.08 0.52 0.00 -1.26 -4.75 105.19 102.43 1f4x n GLY 145 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1f4x n GLY 145 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f4x s VAL 146 N 0.23 1.31 0.20 1.61 -7.23 -1.26 -4.78 120.40 110.47 1f4x s VAL 146 Ca 0.00 -0.60 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1f4x s VAL 146 Cb 0.00 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1f4x s VAL 146 CO 0.00 0.39 0.10 0.68 -0.31 0.00 0.00 175.10 175.96 1f4x s VAL 147 N 0.44 0.22 -0.04 1.32 -7.23 -1.26 -4.66 120.40 109.20 1f4x s VAL 147 Ca -0.12 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 1f4x s VAL 147 Cb -0.15 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1f4x s VAL 147 CO 0.04 -0.13 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.76 1f4x s THR 148 N -3.99 0.57 -0.07 5.32 2.01 -0.54 -4.97 115.64 113.96 1f4x s THR 148 Ca 0.35 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.24 1f4x s THR 148 Cb 0.07 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 1f4x s THR 148 CO 0.10 0.22 -0.24 0.54 -0.69 0.00 0.00 174.62 174.55 1f4x s VAL 149 N 0.79 2.00 0.01 3.82 0.11 -1.26 -0.24 120.40 125.63 1f4x s VAL 149 Ca -0.11 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 57.98 1f4x s VAL 149 Cb -0.14 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 1f4x s VAL 149 CO 0.00 0.55 -0.17 -1.81 -3.33 0.00 0.00 175.10 170.35 1f4x s ASP 150 N 0.05 1.97 0.07 3.54 1.01 0.31 -4.98 116.67 118.64 1f4x s ASP 150 Ca -0.09 -0.38 0.08 0.00 0.71 0.00 0.00 52.55 52.87 1f4x s ASP 150 Cb -0.15 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1f4x s ASP 150 CO 0.05 0.16 -0.20 0.26 0.21 0.00 0.00 175.17 175.65 1f4x s TRP 151 N -0.57 2.51 -0.00 4.23 0.52 -1.26 -0.07 118.94 124.30 1f4x s TRP 151 Ca 0.05 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1f4x s TRP 151 Cb -0.07 -1.40 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1f4x s TRP 151 CO 0.00 0.29 -0.05 0.15 0.02 0.00 0.00 176.95 177.36 1f4x s LYS 152 N -1.70 0.43 -0.17 4.98 1.02 -0.47 -0.97 119.74 122.86 1f4x s LYS 152 Ca 0.15 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.92 1f4x s LYS 152 Cb -0.10 -0.40 0.03 0.00 -0.52 0.00 0.00 37.83 36.83 1f4x s LYS 152 CO 0.07 0.11 -0.15 0.08 -0.92 0.00 0.00 175.35 174.54 1f4x s VAL 153 N -0.22 1.72 -1.42 3.17 1.01 -0.68 -0.41 120.40 123.57 1f4x s VAL 153 Ca 0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1f4x s VAL 153 Cb -0.03 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1f4x s VAL 153 CO -0.00 0.40 0.60 0.47 0.00 0.00 0.00 175.10 176.58 1f4x n ASP 154 N 4.71 -4.92 0.00 3.32 8.00 0.15 -1.74 116.55 126.06 1f4x n ASP 154 Ca -0.17 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1f4x n ASP 154 Cb 0.49 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 1f4x n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f4x n GLY 155 N -1.39 2.54 3.80 0.44 0.00 -1.26 -5.01 105.19 104.31 1f4x n GLY 155 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1f4x n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f4x s THR 156 N -2.81 5.02 0.31 2.61 2.01 -0.71 -5.03 115.64 117.04 1f4x s THR 156 Ca 0.00 0.94 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 1f4x s THR 156 Cb 0.00 -3.78 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 1f4x s THR 156 CO 0.00 0.50 1.53 -2.84 -0.69 0.00 0.00 174.62 173.13 1f4x s PRO 157 N -0.60 4.14 0.01 4.92 0.02 -1.26 -1.69 135.00 140.54 1f4x s PRO 157 Ca 0.25 2.53 -0.21 0.00 0.02 0.00 0.00 61.00 63.59 1f4x s PRO 157 Cb -0.17 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.28 1f4x s PRO 157 CO 0.14 -0.56 0.61 0.08 -0.33 0.00 0.00 177.00 176.93 1f4x s VAL 158 N -0.38 4.86 -0.50 3.83 1.01 -0.14 -4.87 120.40 124.21 1f4x s VAL 158 Ca 0.59 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1f4x s VAL 158 Cb -0.46 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.00 1f4x s VAL 158 CO 0.52 0.43 0.63 0.41 0.00 0.00 0.00 175.10 177.10 1f4x n THR 159 N 2.59 0.01 -3.63 3.92 -1.04 -1.26 -4.73 114.28 110.14 1f4x n THR 159 Ca -0.07 -0.51 -0.16 0.00 -2.04 0.00 0.00 64.05 61.28 1f4x n THR 159 Cb 0.51 1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 70.02 1f4x n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f4x s GLN 160 N -0.34 0.88 0.00 -2.82 -2.07 -1.26 -4.95 119.66 109.09 1f4x s GLN 160 Ca 0.05 0.05 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 1f4x s GLN 160 Cb 0.03 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 1f4x s GLN 160 CO 0.05 -0.26 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 1f4x n GLY 161 N 1.09 0.87 3.28 2.60 0.00 -1.26 -4.92 105.19 106.85 1f4x n GLY 161 Ca -0.20 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1f4x n GLY 161 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1f4x s MET 162 N -0.55 1.11 -0.22 1.61 0.23 -1.26 0.57 119.30 120.80 1f4x s MET 162 Ca 0.00 -1.19 -0.10 0.00 -1.03 0.00 0.00 55.69 53.36 1f4x s MET 162 Cb 0.00 -1.27 0.08 0.00 -1.53 0.00 0.00 34.83 32.11 1f4x s MET 162 CO 0.00 0.28 0.51 -2.00 -2.03 0.00 0.00 175.02 171.78 1f4x s GLU 163 N -2.14 0.47 -0.07 3.16 2.56 -0.79 -4.97 118.70 116.93 1f4x s GLU 163 Ca 0.08 1.05 0.04 0.00 0.00 0.00 0.00 54.97 56.13 1f4x s GLU 163 Cb -0.09 0.23 -0.02 0.00 2.00 0.00 0.00 34.13 36.25 1f4x s GLU 163 CO 0.04 -0.19 -0.19 0.99 -0.56 0.00 0.00 175.26 175.36 1f4x s THR 164 N 1.98 2.62 0.67 -1.70 2.01 -1.26 -0.32 115.64 119.64 1f4x s THR 164 Ca -0.07 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 1f4x s THR 164 Cb -0.09 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1f4x s THR 164 CO -0.15 0.57 1.07 0.42 -0.69 0.00 0.00 174.62 175.83 1f4x s THR 165 N -0.27 3.93 0.19 -0.82 -4.23 0.81 -5.00 115.64 110.25 1f4x s THR 165 Ca 0.01 0.61 -0.30 0.00 -1.18 0.00 0.00 61.69 60.83 1f4x s THR 165 Cb -0.13 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 1f4x s THR 165 CO 0.03 -0.81 0.96 0.20 -0.54 0.00 0.00 174.62 174.46 1f4x s ASN 166 N -4.29 7.56 0.23 3.99 0.01 -1.26 -4.51 114.94 116.67 1f4x s ASN 166 Ca 0.57 1.90 -0.31 0.00 -0.71 0.00 0.00 52.86 54.31 1f4x s ASN 166 Cb -0.11 -2.60 -0.14 0.00 0.41 0.00 0.00 41.25 38.81 1f4x s ASN 166 CO 0.52 0.05 1.22 -2.65 -1.51 0.00 0.00 177.10 174.73 1f4x n PRO 167 N 2.04 1.56 -4.32 -0.60 -0.02 -1.26 -4.84 135.00 127.56 1f4x n PRO 167 Ca -0.00 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.82 1f4x n PRO 167 Cb 0.48 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 1f4x n PRO 167 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1f4x s SER 168 N -0.04 2.03 0.03 2.55 1.04 -0.23 -4.92 113.70 114.16 1f4x s SER 168 Ca 0.67 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 56.22 1f4x s SER 168 Cb -0.73 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 1f4x s SER 168 CO 0.54 0.02 1.00 -0.75 0.98 0.00 0.00 173.24 175.03 1f4x s LYS 169 N -1.56 4.57 0.81 4.02 2.20 -1.26 -0.63 119.74 127.90 1f4x s LYS 169 Ca 0.03 1.47 -0.09 0.00 -0.36 0.00 0.00 55.97 57.01 1f4x s LYS 169 Cb -0.09 -3.43 0.13 0.00 -1.51 0.00 0.00 37.83 32.93 1f4x s LYS 169 CO 0.03 -0.02 1.13 -0.65 -0.36 0.00 0.00 175.35 175.47 1f4x s GLN 170 N 0.81 1.47 0.22 4.03 -0.21 0.14 -4.94 119.66 121.19 1f4x s GLN 170 Ca 0.52 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 55.29 1f4x s GLN 170 Cb -0.22 -2.08 0.19 0.00 1.00 0.00 0.00 33.01 31.89 1f4x s GLN 170 CO 0.29 -1.74 1.87 0.66 -2.12 0.00 0.00 175.29 174.24 1f4x h SER 171 N -0.99 1.01 -0.08 5.90 4.64 -1.97 -2.19 113.55 119.87 1f4x h SER 171 Ca -0.42 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1f4x h SER 171 Cb 1.27 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1f4x h SER 171 CO 0.47 0.78 0.00 -0.46 -0.87 0.00 0.00 176.83 176.75 1f4x n ASN 172 N -4.44 0.53 0.00 4.97 0.23 -1.26 -4.90 115.26 110.40 1f4x n ASN 172 Ca 0.09 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1f4x n ASN 172 Cb 0.06 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1f4x n ASN 172 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1f4x n ASN 173 N -0.23 -3.07 -4.92 0.53 3.02 -0.82 -5.01 115.26 104.76 1f4x n ASN 173 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.31 1f4x n ASN 173 Cb 0.09 -1.82 0.07 0.00 -0.61 0.00 0.00 39.78 37.51 1f4x n ASN 173 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1f4x s LYS 174 N -0.87 2.25 0.35 3.52 1.02 -1.26 -4.78 119.74 119.96 1f4x s LYS 174 Ca 0.00 -0.12 0.09 0.00 0.02 0.00 0.00 55.97 55.95 1f4x s LYS 174 Cb 0.00 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1f4x s LYS 174 CO 0.00 -1.25 0.06 0.71 -0.92 0.00 0.00 175.35 173.95 1f4x s TYR 175 N -3.29 2.59 0.09 3.18 1.51 0.68 0.26 117.35 122.37 1f4x s TYR 175 Ca 0.60 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1f4x s TYR 175 Cb -0.11 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1f4x s TYR 175 CO 0.46 0.42 0.03 0.00 -1.11 0.00 0.00 175.55 175.35 1f4x s MET 176 N -3.76 0.77 0.09 -0.62 0.23 0.20 -1.48 119.30 114.73 1f4x s MET 176 Ca 0.36 -1.29 -0.25 0.00 -1.03 0.00 0.00 55.69 53.47 1f4x s MET 176 Cb -0.00 0.24 0.08 0.00 -1.53 0.00 0.00 34.83 33.62 1f4x s MET 176 CO 0.20 -0.19 0.73 0.00 -2.03 0.00 0.00 175.02 173.74 1f4x s ALA 177 N -3.97 -1.68 0.07 3.16 0.00 0.11 -1.07 121.76 118.38 1f4x s ALA 177 Ca 0.14 0.67 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1f4x s ALA 177 Cb 0.07 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1f4x s ALA 177 CO -0.05 -0.75 -0.23 0.45 0.00 0.00 0.00 175.76 175.18 1f4x s SER 178 N -2.65 2.76 0.02 0.00 0.15 -1.26 -0.53 113.70 112.19 1f4x s SER 178 Ca 0.03 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 56.10 1f4x s SER 178 Cb -0.01 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1f4x s SER 178 CO -0.10 0.15 -0.10 -0.55 1.20 0.00 0.00 173.24 173.84 1f4x s SER 179 N -1.53 1.16 -0.02 5.45 0.15 0.67 -0.14 113.70 119.44 1f4x s SER 179 Ca 0.09 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.44 1f4x s SER 179 Cb -0.10 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1f4x s SER 179 CO 0.03 -0.00 -0.19 -0.31 1.20 0.00 0.00 173.24 173.98 1f4x s TYR 180 N -0.71 1.67 -0.22 3.44 2.02 0.56 -2.01 117.35 122.09 1f4x s TYR 180 Ca -0.01 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1f4x s TYR 180 Cb -0.06 -1.08 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1f4x s TYR 180 CO 0.00 -0.04 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.65 1f4x s LEU 181 N -0.41 2.81 -0.25 -1.29 2.96 -0.42 -1.88 118.68 120.20 1f4x s LEU 181 Ca 0.07 -0.89 -0.07 0.00 -0.22 0.00 0.00 54.13 53.02 1f4x s LEU 181 Cb -0.07 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1f4x s LEU 181 CO -0.01 -0.09 0.05 -0.89 -1.32 0.00 0.00 176.35 174.10 1f4x s THR 182 N 1.26 4.13 0.49 3.68 2.01 0.19 -0.76 115.64 126.64 1f4x s THR 182 Ca 0.00 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1f4x s THR 182 Cb -0.16 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1f4x s THR 182 CO -0.08 0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 173.43 1f4x s LEU 183 N 1.58 2.29 0.19 4.42 1.43 -0.74 -4.81 118.68 123.04 1f4x s LEU 183 Ca 0.06 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 1f4x s LEU 183 Cb -0.15 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1f4x s LEU 183 CO 0.02 -0.83 0.36 0.42 0.23 0.00 0.00 176.35 176.55 1f4x s THR 184 N -2.92 5.24 0.45 5.49 -4.23 -1.26 -1.28 115.64 117.12 1f4x s THR 184 Ca 0.11 -0.47 0.23 0.00 -1.18 0.00 0.00 61.69 60.38 1f4x s THR 184 Cb 0.02 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.38 1f4x s THR 184 CO 0.06 -0.16 2.06 0.00 -0.54 0.00 0.00 174.62 176.04 1f4x h ALA 185 N 1.99 1.47 -0.02 3.99 0.00 -1.65 -1.46 119.26 123.59 1f4x h ALA 185 Ca -0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1f4x h ALA 185 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1f4x h ALA 185 CO 0.68 0.16 0.01 0.07 0.00 0.00 0.00 179.25 180.17 1f4x h ARG 186 N 0.00 0.03 -0.91 0.00 -0.00 -1.94 -2.10 114.38 109.47 1f4x h ARG 186 Ca -0.00 -0.01 0.11 0.00 -0.00 0.00 0.00 59.98 60.08 1f4x h ARG 186 Cb 0.29 -0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 30.18 1f4x h ARG 186 CO 0.02 0.24 0.54 0.00 -0.00 0.00 0.00 179.97 180.77 1f4x h ALA 187 N 0.79 1.34 -0.54 0.08 0.00 -1.83 0.14 119.26 119.24 1f4x h ALA 187 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1f4x h ALA 187 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1f4x h ALA 187 CO -0.00 0.13 0.01 2.35 0.00 0.00 0.00 179.25 181.74 1f4x h TRP 188 N 0.86 0.97 0.00 0.00 2.91 -1.21 -1.09 115.95 118.39 1f4x h TRP 188 Ca 0.45 -0.14 -0.01 0.00 1.13 0.00 0.00 58.89 60.32 1f4x h TRP 188 Cb 0.45 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 28.84 1f4x h TRP 188 CO -0.04 0.87 -0.03 0.93 -1.03 0.00 0.00 178.44 179.14 1f4x h GLU 189 N 0.84 0.00 0.00 2.65 5.08 -0.09 -3.31 114.58 119.74 1f4x h GLU 189 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1f4x h GLU 189 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1f4x h GLU 189 CO 0.02 0.03 -0.26 0.07 -1.00 0.00 0.00 179.01 177.87 1f4x h ARG 190 N 0.00 0.00 -6.14 2.33 -0.00 0.34 -3.46 114.38 107.44 1f4x h ARG 190 Ca -0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 59.98 59.33 1f4x h ARG 190 Cb 0.87 0.00 -0.10 0.00 -0.00 0.00 0.00 29.97 30.74 1f4x h ARG 190 CO 0.00 0.00 -0.60 -1.01 -0.00 0.00 0.00 179.97 178.36 1f4x s HIS 191 N -3.17 3.19 -0.20 4.08 3.76 -1.09 -5.06 115.29 116.81 1f4x s HIS 191 Ca 0.07 0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 55.08 1f4x s HIS 191 Cb 0.11 -1.65 -0.21 0.00 1.11 0.00 0.00 32.58 31.93 1f4x s HIS 191 CO 0.67 0.52 0.03 0.45 -0.85 0.00 0.00 174.74 175.55 1f4x n SER 192 N 0.76 1.99 -4.37 1.40 2.88 -1.26 -4.96 113.62 110.07 1f4x n SER 192 Ca -0.11 0.01 -0.32 0.00 -1.33 0.00 0.00 58.87 57.12 1f4x n SER 192 Cb 0.52 -0.56 -0.15 0.00 -0.75 0.00 0.00 64.21 63.27 1f4x n SER 192 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1f4x s SER 193 N -6.71 3.52 -0.05 -3.46 0.01 -1.26 -4.08 113.70 101.67 1f4x s SER 193 Ca -0.29 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.62 1f4x s SER 193 Cb 0.08 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.53 1f4x s SER 193 CO 0.68 0.29 -0.06 -0.31 0.41 0.00 0.00 173.24 174.25 1f4x s TYR 194 N -0.44 0.94 -0.02 2.43 1.51 -0.16 0.30 117.35 121.91 1f4x s TYR 194 Ca 0.05 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1f4x s TYR 194 Cb -0.12 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1f4x s TYR 194 CO 0.01 -0.24 -0.07 0.45 -1.11 0.00 0.00 175.55 174.60 1f4x s SER 195 N 0.98 0.93 -0.25 2.29 0.15 0.46 -0.87 113.70 117.38 1f4x s SER 195 Ca -0.10 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 1f4x s SER 195 Cb -0.14 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1f4x s SER 195 CO 0.00 0.05 -0.01 0.00 1.20 0.00 0.00 173.24 174.48 1f4x s GLN 197 N 1.44 3.56 -0.24 0.00 -0.21 0.90 -1.21 119.66 123.90 1f4x s GLN 197 Ca 0.03 -0.58 -0.00 0.00 0.02 0.00 0.00 55.36 54.83 1f4x s GLN 197 Cb -0.16 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.07 1f4x s GLN 197 CO -0.02 0.24 -0.10 0.08 -2.12 0.00 0.00 175.29 173.37 1f4x s VAL 198 N 0.34 2.61 -0.33 1.09 1.01 -0.35 -0.53 120.40 124.24 1f4x s VAL 198 Ca -0.07 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 1f4x s VAL 198 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1f4x s VAL 198 CO 0.04 0.24 0.22 -0.89 0.00 0.00 0.00 175.10 174.70 1f4x s THR 199 N 1.29 5.08 -0.05 3.92 2.01 0.66 0.11 115.64 128.65 1f4x s THR 199 Ca -0.00 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1f4x s THR 199 Cb -0.16 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1f4x s THR 199 CO -0.06 0.00 -0.04 -2.28 -0.69 0.00 0.00 174.62 171.55 1f4x s HIS 200 N 1.69 0.81 -1.58 4.92 5.04 0.17 -1.47 115.29 124.88 1f4x s HIS 200 Ca 0.06 -0.25 -0.08 0.00 -1.54 0.00 0.00 55.06 53.25 1f4x s HIS 200 Cb -0.17 -0.73 0.07 0.00 0.04 0.00 0.00 32.58 31.79 1f4x s HIS 200 CO 0.09 -0.23 0.46 0.39 -2.34 0.00 0.00 174.74 173.11 1f4x n GLU 201 N 4.23 -2.51 -0.27 2.88 -0.58 -1.26 -0.58 120.64 122.56 1f4x n GLU 201 Ca -0.22 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1f4x n GLU 201 Cb 0.51 -4.52 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 1f4x n GLU 201 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f4x n GLY 202 N -1.85 2.00 3.56 0.62 0.00 -1.26 -5.02 105.19 103.24 1f4x n GLY 202 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1f4x n GLY 202 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1f4x s HIS 203 N -3.10 2.82 -0.27 1.61 -3.43 0.26 -5.11 115.29 108.07 1f4x s HIS 203 Ca 0.00 -0.08 -0.07 0.00 -0.80 0.00 0.00 55.06 54.11 1f4x s HIS 203 Cb 0.00 -1.61 -0.01 0.00 -1.43 0.00 0.00 32.58 29.53 1f4x s HIS 203 CO 0.00 0.32 0.08 0.99 -2.00 0.00 0.00 174.74 174.13 1f4x s THR 204 N -0.92 4.16 -0.27 -5.38 2.01 -1.26 -0.65 115.64 113.34 1f4x s THR 204 Ca 0.15 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1f4x s THR 204 Cb -0.11 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1f4x s THR 204 CO 0.05 0.22 0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 1f4x s VAL 205 N 1.57 4.77 0.04 3.82 1.01 0.30 -4.92 120.40 127.00 1f4x s VAL 205 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1f4x s VAL 205 Cb -0.16 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1f4x s VAL 205 CO 0.03 0.28 -0.20 -1.83 0.00 0.00 0.00 175.10 173.39 1f4x s GLU 206 N 1.68 2.00 -0.06 2.72 -1.05 -1.26 -1.21 118.70 121.52 1f4x s GLU 206 Ca 0.07 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 53.88 1f4x s GLU 206 Cb -0.16 -2.14 0.02 0.00 -0.44 0.00 0.00 34.13 31.41 1f4x s GLU 206 CO 0.07 0.53 -0.08 0.15 0.95 0.00 0.00 175.26 176.88 1f4x s LYS 207 N -1.42 1.29 0.20 -4.83 3.01 -0.35 -4.98 119.74 112.66 1f4x s LYS 207 Ca 0.14 -0.25 0.07 0.00 -1.01 0.00 0.00 55.97 54.93 1f4x s LYS 207 Cb -0.10 -1.19 -0.05 0.00 -1.01 0.00 0.00 37.83 35.48 1f4x s LYS 207 CO 0.05 -0.07 -0.14 -1.54 0.51 0.00 0.00 175.35 174.16 1f4x s SER 208 N 0.95 2.50 0.03 2.83 1.04 -1.26 0.62 113.70 120.41 1f4x s SER 208 Ca -0.10 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 55.32 1f4x s SER 208 Cb -0.15 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1f4x s SER 208 CO 0.00 -0.19 -0.06 -0.76 0.98 0.00 0.00 173.24 173.21 1f4x s LEU 209 N -3.31 2.20 0.00 2.42 1.43 -0.05 -5.00 118.68 116.37 1f4x s LEU 209 Ca 0.22 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1f4x s LEU 209 Cb -0.00 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 46.10 1f4x s LEU 209 CO 0.06 -0.16 0.63 -1.54 0.23 0.00 0.00 176.35 175.58