#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4p s LYS 3 N 0.00 2.94 0.00 0.58 1.02 -1.26 -0.85 119.74 122.17 1f4p s LYS 3 Ca 0.00 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.35 1f4p s LYS 3 Cb 0.00 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1f4p s LYS 3 CO 0.00 0.39 -0.24 0.00 -0.92 0.00 0.00 175.35 174.58 1f4p s ALA 4 N -0.13 2.03 -0.10 5.17 0.00 0.49 -0.68 121.76 128.53 1f4p s ALA 4 Ca -0.02 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1f4p s ALA 4 Cb -0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1f4p s ALA 4 CO 0.04 0.49 -0.13 -1.17 0.00 0.00 0.00 175.76 174.99 1f4p s LEU 5 N -0.80 2.77 -0.13 0.00 2.96 -0.20 -0.85 118.68 122.43 1f4p s LEU 5 Ca 0.10 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1f4p s LEU 5 Cb -0.09 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1f4p s LEU 5 CO 0.00 0.23 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.41 1f4p s ILE 6 N -0.03 2.05 -0.09 6.68 1.01 0.36 -0.24 121.20 130.94 1f4p s ILE 6 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1f4p s ILE 6 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1f4p s ILE 6 CO 0.04 0.55 -0.16 -0.69 0.00 0.00 0.00 174.94 174.68 1f4p s VAL 7 N 0.72 1.50 0.06 2.92 1.01 0.04 -0.21 120.40 126.43 1f4p s VAL 7 Ca -0.10 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1f4p s VAL 7 Cb -0.16 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1f4p s VAL 7 CO 0.00 0.44 -0.15 -0.72 0.00 0.00 0.00 175.10 174.67 1f4p s TYR 8 N 0.72 1.26 -0.21 5.22 -0.85 -0.73 -0.76 117.35 121.99 1f4p s TYR 8 Ca -0.12 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1f4p s TYR 8 Cb -0.16 -0.73 0.02 0.00 0.38 0.00 0.00 41.96 41.47 1f4p s TYR 8 CO 0.03 0.06 -0.14 0.20 -1.52 0.00 0.00 175.55 174.18 1f4p s GLY 9 N -1.47 1.51 -0.10 5.49 0.00 0.21 -0.14 107.32 112.82 1f4p s GLY 9 Ca 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.32 1f4p s GLY 9 CO 0.02 0.39 0.25 -0.45 0.00 0.00 0.00 173.10 173.31 1f4p s SER 10 N 1.31 -0.26 -0.21 1.64 0.15 -1.26 -2.90 113.70 112.16 1f4p s SER 10 Ca 0.03 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.22 1f4p s SER 10 Cb -0.15 0.47 -0.14 0.00 -1.71 0.00 0.00 66.02 64.49 1f4p s SER 10 CO -0.09 -0.12 -0.17 0.41 1.20 0.00 0.00 173.24 174.48 1f4p n THR 11 N 3.45 1.20 0.70 6.45 -1.04 -1.26 -4.59 114.28 119.19 1f4p n THR 11 Ca -0.18 -0.48 0.08 0.00 -2.04 0.00 0.00 64.05 61.43 1f4p n THR 11 Cb 0.56 -1.19 0.03 0.00 -1.82 0.00 0.00 70.33 67.91 1f4p n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1f4p n THR 12 N -3.07 0.00 0.00 12.58 -2.24 -1.26 -4.98 114.28 115.30 1f4p n THR 12 Ca -0.36 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1f4p n THR 12 Cb 0.91 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.40 1f4p n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f4p n GLY 13 N 1.06 0.39 0.10 3.38 0.00 -1.26 -4.99 105.19 103.86 1f4p n GLY 13 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1f4p n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1f4p h ASN 14 N 0.00 -0.09 0.24 1.61 2.35 -1.94 -0.88 115.58 116.87 1f4p h ASN 14 Ca 0.00 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 1f4p h ASN 14 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1f4p h ASN 14 CO 0.00 0.46 -0.17 0.74 -1.65 0.00 0.00 177.43 176.81 1f4p h THR 15 N -0.70 0.95 -0.30 2.81 2.02 -1.94 -1.49 112.91 114.28 1f4p h THR 15 Ca -0.01 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1f4p h THR 15 Cb 0.56 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1f4p h THR 15 CO 0.02 0.17 0.01 -0.08 0.37 0.00 0.00 175.52 176.01 1f4p h GLU 16 N 0.00 0.52 -0.70 6.66 4.81 -1.85 0.19 114.58 124.21 1f4p h GLU 16 Ca -0.00 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1f4p h GLU 16 Cb 0.34 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1f4p h GLU 16 CO 0.02 0.66 0.40 -0.92 -0.73 0.00 0.00 179.01 178.44 1f4p h TYR 17 N 0.32 0.74 -0.73 0.92 3.20 -0.90 -0.70 116.97 119.82 1f4p h TYR 17 Ca 0.09 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1f4p h TYR 17 Cb 0.42 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1f4p h TYR 17 CO 0.03 0.36 0.30 1.15 -1.64 0.00 0.00 178.16 178.37 1f4p h THR 18 N 0.74 1.25 -0.70 1.81 2.02 -0.97 -0.91 112.91 116.15 1f4p h THR 18 Ca 0.31 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1f4p h THR 18 Cb 0.17 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1f4p h THR 18 CO -0.17 0.31 0.26 0.00 0.37 0.00 0.00 175.52 176.29 1f4p h ALA 19 N 1.15 0.91 -0.52 6.16 0.00 -0.50 -1.11 119.26 125.34 1f4p h ALA 19 Ca 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1f4p h ALA 19 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1f4p h ALA 19 CO -0.02 0.56 0.07 0.93 0.00 0.00 0.00 179.25 180.79 1f4p h GLU 20 N 1.01 0.83 -0.38 0.00 5.08 -0.78 0.12 114.58 120.45 1f4p h GLU 20 Ca 0.23 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1f4p h GLU 20 Cb 0.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1f4p h GLU 20 CO -0.01 0.78 0.10 1.15 -1.00 0.00 0.00 179.01 180.02 1f4p h THR 21 N 0.78 1.22 -0.42 1.13 2.02 -0.66 -1.87 112.91 115.13 1f4p h THR 21 Ca 0.16 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1f4p h THR 21 Cb 0.37 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1f4p h THR 21 CO 0.01 0.26 0.07 0.40 0.37 0.00 0.00 175.52 176.63 1f4p h ILE 22 N 0.47 1.24 -0.83 3.11 2.04 -0.93 -2.80 117.51 119.81 1f4p h ILE 22 Ca 0.12 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.18 1f4p h ILE 22 Cb 0.30 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1f4p h ILE 22 CO 0.00 0.30 0.50 0.00 0.00 0.00 0.00 178.15 178.95 1f4p h ALA 23 N 0.93 1.17 -0.36 1.87 0.00 -0.58 -0.60 119.26 121.69 1f4p h ALA 23 Ca 0.13 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1f4p h ALA 23 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1f4p h ALA 23 CO 0.01 0.17 -0.25 -0.09 0.00 0.00 0.00 179.25 179.09 1f4p h ARG 24 N 0.86 0.73 -0.13 0.00 2.43 -1.19 -0.21 114.38 116.86 1f4p h ARG 24 Ca 0.39 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1f4p h ARG 24 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1f4p h ARG 24 CO -0.21 0.91 0.08 0.93 -1.51 0.00 0.00 179.97 180.16 1f4p h GLU 25 N 0.63 0.18 -0.56 0.20 4.39 -1.08 -1.02 114.58 117.32 1f4p h GLU 25 Ca 0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1f4p h GLU 25 Cb 0.76 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1f4p h GLU 25 CO 0.06 0.19 0.26 -0.07 -1.16 0.00 0.00 179.01 178.29 1f4p h LEU 26 N 0.13 0.75 -0.92 1.33 3.38 -0.93 -2.56 115.31 116.49 1f4p h LEU 26 Ca 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1f4p h LEU 26 Cb 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1f4p h LEU 26 CO -0.01 0.68 0.48 0.00 0.09 0.00 0.00 178.44 179.68 1f4p h ALA 27 N 1.10 1.17 0.00 1.53 0.00 -0.89 -1.91 119.26 120.26 1f4p h ALA 27 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1f4p h ALA 27 Cb 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1f4p h ALA 27 CO -0.02 0.66 -0.12 -0.44 0.00 0.00 0.00 179.25 179.33 1f4p h ASP 28 N 1.25 0.00 1.85 0.00 3.45 -0.93 -1.30 116.42 120.74 1f4p h ASP 28 Ca 0.31 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.77 1f4p h ASP 28 Cb 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1f4p h ASP 28 CO -0.05 0.12 -0.15 0.00 -1.57 0.00 0.00 179.24 177.60 1f4p h ALA 29 N 1.88 0.93 0.00 3.45 0.00 -1.01 -3.47 119.26 121.03 1f4p h ALA 29 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1f4p h ALA 29 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1f4p h ALA 29 CO 0.02 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1f4p n GLY 30 N 1.11 0.68 3.80 0.00 0.00 -0.49 -5.10 105.19 105.19 1f4p n GLY 30 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1f4p n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f4p s TYR 31 N -1.57 3.09 -0.29 1.61 2.02 -0.77 -4.63 117.35 116.81 1f4p s TYR 31 Ca 0.00 1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 58.08 1f4p s TYR 31 Cb 0.00 -3.00 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 1f4p s TYR 31 CO 0.00 -0.63 0.60 -1.21 -1.57 0.00 0.00 175.55 172.74 1f4p s GLU 32 N -3.26 3.97 -0.09 -0.62 2.02 -0.03 -4.24 118.70 116.44 1f4p s GLU 32 Ca 0.66 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1f4p s GLU 32 Cb -0.14 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.36 1f4p s GLU 32 CO 0.19 -0.50 -0.08 0.08 0.02 0.00 0.00 175.26 174.97 1f4p s VAL 33 N 2.52 3.58 -0.22 2.63 1.01 -1.26 -0.38 120.40 128.28 1f4p s VAL 33 Ca 0.24 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1f4p s VAL 33 Cb -0.15 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1f4p s VAL 33 CO 0.11 0.57 -0.14 -0.62 0.00 0.00 0.00 175.10 175.01 1f4p s ASP 34 N -0.41 3.72 -0.18 3.32 -1.08 -0.03 -4.97 116.67 117.03 1f4p s ASP 34 Ca 0.06 -1.01 -0.03 0.00 -0.52 0.00 0.00 52.55 51.06 1f4p s ASP 34 Cb -0.12 -1.45 -0.01 0.00 -1.46 0.00 0.00 42.92 39.88 1f4p s ASP 34 CO 0.02 -0.11 -0.07 -0.44 0.52 0.00 0.00 175.17 175.09 1f4p s SER 35 N 1.24 4.26 -0.03 -0.34 0.01 -1.26 -0.49 113.70 117.10 1f4p s SER 35 Ca -0.02 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1f4p s SER 35 Cb -0.17 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.37 1f4p s SER 35 CO -0.09 0.07 -0.07 -0.13 0.41 0.00 0.00 173.24 173.43 1f4p s ARG 36 N 0.96 0.81 0.11 12.44 0.52 0.70 -4.96 118.95 129.53 1f4p s ARG 36 Ca -0.01 -0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 1f4p s ARG 36 Cb -0.15 -0.78 -0.07 0.00 0.52 0.00 0.00 34.95 34.48 1f4p s ARG 36 CO 0.00 0.05 1.26 0.34 0.02 0.00 0.00 175.30 176.98 1f4p s ASP 37 N 0.35 6.99 0.56 0.23 3.68 -1.26 -1.78 116.67 125.44 1f4p s ASP 37 Ca -0.05 2.18 0.29 0.00 2.13 0.00 0.00 52.55 57.10 1f4p s ASP 37 Cb -0.09 -2.59 1.47 0.00 -1.45 0.00 0.00 42.92 40.26 1f4p s ASP 37 CO 0.00 -0.51 1.93 0.00 0.13 0.00 0.00 175.17 176.72 1f4p h ALA 38 N 6.41 2.43 0.00 3.66 0.00 -0.85 0.30 119.26 131.21 1f4p h ALA 38 Ca -0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1f4p h ALA 38 Cb 1.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1f4p h ALA 38 CO 0.81 -0.80 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1f4p h ALA 39 N 1.56 1.37 -0.39 0.00 0.00 -1.81 -2.86 119.26 117.13 1f4p h ALA 39 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f4p h ALA 39 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1f4p h ALA 39 CO -0.00 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.75 1f4p n SER 40 N -3.70 3.50 -4.73 0.00 7.64 0.10 -4.99 113.62 111.44 1f4p n SER 40 Ca -0.02 -2.00 -0.23 0.00 1.01 0.00 0.00 58.87 57.62 1f4p n SER 40 Cb 0.16 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1f4p n SER 40 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1f4p s VAL 41 N -1.49 2.86 -0.00 0.44 -7.23 -1.08 -5.02 120.40 108.87 1f4p s VAL 41 Ca 0.39 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 1f4p s VAL 41 Cb 0.23 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 1f4p s VAL 41 CO 0.32 -0.15 -0.14 -1.61 -0.31 0.00 0.00 175.10 173.21 1f4p s GLU 42 N -3.86 2.34 0.16 4.82 2.02 -1.26 -5.00 118.70 117.91 1f4p s GLU 42 Ca 0.38 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.44 1f4p s GLU 42 Cb -0.01 -2.32 0.04 0.00 0.10 0.00 0.00 34.13 31.93 1f4p s GLU 42 CO 0.23 0.59 1.65 0.00 0.02 0.00 0.00 175.26 177.74 1f4p h ALA 43 N 4.86 0.70 -2.04 5.21 0.00 -1.92 -3.38 119.26 122.68 1f4p h ALA 43 Ca -0.47 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 1f4p h ALA 43 Cb 1.16 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1f4p h ALA 43 CO 0.50 0.43 1.38 0.41 0.00 0.00 0.00 179.25 181.97 1f4p n GLY 44 N -0.56 1.29 2.53 0.00 0.00 -1.26 -1.41 105.19 105.77 1f4p n GLY 44 Ca 0.02 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 46.72 1f4p n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f4p n GLY 45 N 5.33 1.35 0.36 -0.02 0.00 0.33 -4.90 105.19 107.63 1f4p n GLY 45 Ca 0.27 -0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1f4p n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f4p h LEU 46 N 0.00 0.69 -0.57 0.99 5.85 -1.19 -1.43 115.31 119.65 1f4p h LEU 46 Ca -0.27 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1f4p h LEU 46 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1f4p h LEU 46 CO 0.40 0.16 -0.03 0.49 -0.34 0.00 0.00 178.44 179.12 1f4p n PHE 47 N -4.81 0.00 -1.73 1.25 3.72 0.12 -4.92 117.46 111.09 1f4p n PHE 47 Ca 0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 1f4p n PHE 47 Cb 0.70 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1f4p n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1f4p n GLU 48 N -0.35 2.64 -0.29 -1.08 -0.58 -0.54 -1.92 120.64 118.53 1f4p n GLU 48 Ca 0.20 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.88 1f4p n GLU 48 Cb 0.27 -2.73 0.00 0.00 -0.57 0.00 0.00 31.44 28.41 1f4p n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f4p n GLY 49 N 2.64 1.52 3.78 0.62 0.00 -1.26 -5.04 105.19 107.45 1f4p n GLY 49 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1f4p n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f4p s PHE 50 N -2.96 3.41 -0.05 1.61 0.40 -0.81 -4.77 117.98 114.81 1f4p s PHE 50 Ca 0.00 0.37 0.12 0.00 -0.60 0.00 0.00 56.93 56.82 1f4p s PHE 50 Cb 0.00 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 1f4p s PHE 50 CO 0.00 0.58 1.31 -0.44 0.70 0.00 0.00 175.22 177.37 1f4p h ASP 51 N 5.23 0.00 -3.54 1.36 5.19 -1.23 -3.45 116.42 119.98 1f4p h ASP 51 Ca -0.52 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.71 1f4p h ASP 51 Cb 1.21 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.44 1f4p h ASP 51 CO 0.58 0.70 -0.48 -0.22 -3.12 0.00 0.00 179.24 176.71 1f4p s LEU 52 N -6.48 0.71 -0.08 1.55 2.96 -1.10 -4.31 118.68 111.95 1f4p s LEU 52 Ca 0.02 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1f4p s LEU 52 Cb 0.09 0.74 0.01 0.00 0.50 0.00 0.00 46.19 47.53 1f4p s LEU 52 CO 0.78 -0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.84 1f4p s VAL 53 N 0.79 1.33 -0.15 1.68 1.01 -0.42 -1.03 120.40 123.60 1f4p s VAL 53 Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1f4p s VAL 53 Cb -0.07 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1f4p s VAL 53 CO -0.05 0.40 -0.17 -0.76 0.00 0.00 0.00 175.10 174.52 1f4p s LEU 54 N 0.64 2.37 -0.11 3.92 1.43 0.67 -1.77 118.68 125.83 1f4p s LEU 54 Ca -0.15 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1f4p s LEU 54 Cb -0.16 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1f4p s LEU 54 CO 0.04 0.08 -0.17 -0.76 0.23 0.00 0.00 176.35 175.77 1f4p s LEU 55 N 0.83 2.49 -0.01 1.79 1.43 -0.63 -0.78 118.68 123.80 1f4p s LEU 55 Ca -0.05 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1f4p s LEU 55 Cb -0.15 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1f4p s LEU 55 CO -0.01 0.17 -0.16 -0.83 0.23 0.00 0.00 176.35 175.76 1f4p s GLY 56 N 0.28 0.77 -0.19 -3.19 0.00 0.06 -0.88 107.32 104.16 1f4p s GLY 56 Ca -0.12 -0.68 -0.25 0.00 0.00 0.00 0.00 44.72 43.66 1f4p s GLY 56 CO 0.06 -0.57 0.67 0.00 0.00 0.00 0.00 173.10 173.26 1f4p s SER 58 N -0.11 5.45 -0.07 0.00 1.04 -1.14 -3.95 113.70 114.92 1f4p s SER 58 Ca -0.03 0.64 0.03 0.00 0.48 0.00 0.00 55.95 57.06 1f4p s SER 58 Cb -0.03 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.49 1f4p s SER 58 CO 0.03 -1.15 -0.14 -0.89 0.98 0.00 0.00 173.24 172.08 1f4p s THR 59 N -3.02 3.06 0.00 2.02 2.01 -1.23 -2.62 115.64 115.86 1f4p s THR 59 Ca 0.55 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1f4p s THR 59 Cb -0.11 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1f4p s THR 59 CO 0.45 0.58 0.00 0.79 -0.69 0.00 0.00 174.62 175.74 1f4p n TRP 60 N 2.60 0.00 0.00 4.92 7.02 0.70 -4.97 117.44 127.71 1f4p n TRP 60 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1f4p n TRP 60 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1f4p n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1f4p n GLY 61 N 1.36 2.99 0.23 6.99 0.00 -1.26 -1.10 105.19 114.40 1f4p n GLY 61 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 1f4p n GLY 61 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1f4p h ASP 62 N 0.00 -0.43 -0.32 1.61 3.58 -1.99 -3.39 116.42 115.47 1f4p h ASP 62 Ca 0.00 -0.07 -0.23 0.00 0.42 0.00 0.00 57.03 57.15 1f4p h ASP 62 Cb 0.00 0.11 -0.29 0.00 1.72 0.00 0.00 39.33 40.87 1f4p h ASP 62 CO 0.00 -0.19 -0.77 -0.90 -2.88 0.00 0.00 179.24 174.50 1f4p n ASP 63 N -5.25 0.20 -3.89 2.28 3.85 -1.26 -5.09 116.55 107.40 1f4p n ASP 63 Ca -0.10 -2.22 -0.09 0.00 -0.71 0.00 0.00 54.79 51.66 1f4p n ASP 63 Cb 0.26 0.05 -0.05 0.00 -1.35 0.00 0.00 41.12 40.03 1f4p n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1f4p s SER 64 N -2.58 -0.16 -0.27 -1.12 1.04 -1.26 -5.12 113.70 104.23 1f4p s SER 64 Ca 0.21 -0.73 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1f4p s SER 64 Cb 0.39 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 67.09 1f4p s SER 64 CO -0.06 -1.12 0.69 -0.63 0.98 0.00 0.00 173.24 173.10 1f4p s ILE 65 N -3.95 4.92 -0.00 -1.02 1.01 -1.26 -4.15 121.20 116.74 1f4p s ILE 65 Ca 0.16 1.13 0.06 0.00 0.00 0.00 0.00 60.65 62.00 1f4p s ILE 65 Cb -0.01 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1f4p s ILE 65 CO 0.04 -0.08 -0.18 -1.61 0.00 0.00 0.00 174.94 173.12 1f4p s GLU 66 N 2.66 1.38 0.59 2.79 2.02 -0.26 -4.97 118.70 122.92 1f4p s GLU 66 Ca 0.28 -0.67 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 1f4p s GLU 66 Cb -0.15 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1f4p s GLU 66 CO 0.10 0.37 0.98 -0.51 0.02 0.00 0.00 175.26 176.22 1f4p s LEU 67 N -0.53 3.33 0.25 1.80 1.43 -1.26 -0.21 118.68 123.48 1f4p s LEU 67 Ca 0.06 1.34 -0.31 0.00 -1.03 0.00 0.00 54.13 54.20 1f4p s LEU 67 Cb -0.07 -4.37 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 1f4p s LEU 67 CO -0.00 -0.80 1.43 1.67 0.23 0.00 0.00 176.35 178.88 1f4p n GLN 68 N -2.57 2.14 -0.34 1.70 0.00 -1.08 -4.72 117.38 112.52 1f4p n GLN 68 Ca 0.05 0.76 0.14 0.00 -0.00 0.00 0.00 57.00 57.95 1f4p n GLN 68 Cb 0.54 -2.44 0.33 0.00 0.00 0.00 0.00 30.24 28.67 1f4p n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1f4p h ASP 69 N 4.22 0.65 1.46 1.69 3.32 -1.94 -1.02 116.42 124.80 1f4p h ASP 69 Ca -0.45 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1f4p h ASP 69 Cb 1.27 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 1f4p h ASP 69 CO 0.76 0.17 -0.00 0.44 -1.72 0.00 0.00 179.24 178.89 1f4p h ASP 70 N 0.63 0.00 1.12 6.45 3.32 -1.93 -3.02 116.42 122.99 1f4p h ASP 70 Ca 0.58 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.50 1f4p h ASP 70 Cb 0.99 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1f4p h ASP 70 CO -0.43 0.00 -0.93 0.15 -1.72 0.00 0.00 179.24 176.31 1f4p h PHE 71 N 0.00 0.00 -0.49 4.55 3.04 -1.51 -3.38 116.94 119.15 1f4p h PHE 71 Ca -0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1f4p h PHE 71 Cb 0.73 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.15 1f4p h PHE 71 CO 0.00 0.53 -0.14 0.82 -2.02 0.00 0.00 178.31 177.49 1f4p h ILE 72 N 0.00 0.47 -0.41 1.41 2.04 -1.33 -0.56 117.51 119.13 1f4p h ILE 72 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1f4p h ILE 72 Cb 1.47 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1f4p h ILE 72 CO 0.06 0.00 0.27 -0.65 0.00 0.00 0.00 178.15 177.83 1f4p h PRO 73 N -0.03 0.54 -0.26 2.37 0.11 -1.76 0.13 132.00 133.10 1f4p h PRO 73 Ca 0.24 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 1f4p h PRO 73 Cb 0.39 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1f4p h PRO 73 CO -0.52 0.36 -0.09 1.25 -0.21 0.00 0.00 178.00 178.78 1f4p h LEU 74 N 0.55 0.53 -0.78 2.35 5.85 -1.57 -2.18 115.31 120.06 1f4p h LEU 74 Ca 0.15 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1f4p h LEU 74 Cb -0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1f4p h LEU 74 CO -0.03 0.80 0.39 0.15 -0.34 0.00 0.00 178.44 179.40 1f4p h PHE 75 N 0.26 1.10 0.00 1.25 3.04 -0.41 -1.02 116.94 121.16 1f4p h PHE 75 Ca 0.06 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1f4p h PHE 75 Cb 0.58 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1f4p h PHE 75 CO 0.06 0.80 -0.11 -0.44 -2.02 0.00 0.00 178.31 176.60 1f4p h ASP 76 N 1.09 0.00 -0.20 0.41 3.45 -0.66 -2.52 116.42 117.99 1f4p h ASP 76 Ca 0.27 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.64 1f4p h ASP 76 Cb 0.10 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 1f4p h ASP 76 CO -0.04 0.11 -0.17 -1.20 -1.57 0.00 0.00 179.24 176.37 1f4p n SER 77 N -3.52 2.43 0.11 6.45 7.64 -0.77 -4.75 113.62 121.20 1f4p n SER 77 Ca -0.02 -3.63 0.10 0.00 1.01 0.00 0.00 58.87 56.34 1f4p n SER 77 Cb 0.25 -0.57 0.59 0.00 -1.01 0.00 0.00 64.21 63.47 1f4p n SER 77 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1f4p h LEU 78 N 0.97 0.14 -1.04 -3.43 5.85 -0.75 -0.58 115.31 116.47 1f4p h LEU 78 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1f4p h LEU 78 Cb 1.36 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1f4p h LEU 78 CO 0.21 0.09 0.00 -1.84 -0.34 0.00 0.00 178.44 176.56 1f4p n GLU 79 N -4.48 0.14 -0.20 1.25 0.00 -1.26 -2.15 120.64 113.93 1f4p n GLU 79 Ca 0.03 0.54 0.12 0.00 0.00 0.00 0.00 57.16 57.85 1f4p n GLU 79 Cb 0.24 -1.88 0.22 0.00 0.00 0.00 0.00 31.44 30.01 1f4p n GLU 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1f4p n GLU 80 N -2.17 2.51 0.16 3.44 1.02 -0.22 -4.56 120.64 120.82 1f4p n GLU 80 Ca -0.00 -2.31 0.12 0.00 -0.02 0.00 0.00 57.16 54.95 1f4p n GLU 80 Cb 0.10 -1.51 0.10 0.00 -0.02 0.00 0.00 31.44 30.11 1f4p n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1f4p h THR 81 N 4.44 0.00 -0.13 2.62 1.35 -1.54 0.96 112.91 120.60 1f4p h THR 81 Ca 0.00 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1f4p h THR 81 Cb 0.99 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1f4p h THR 81 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1f4p n GLY 82 N 1.15 1.27 0.21 5.82 0.00 -1.26 -0.71 105.19 111.67 1f4p n GLY 82 Ca 0.02 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1f4p n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4p h ALA 83 N 0.00 0.95 -2.63 4.61 0.00 -1.89 -3.42 119.26 116.88 1f4p h ALA 83 Ca 0.00 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 1f4p h ALA 83 Cb 0.25 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.08 1f4p h ALA 83 CO 0.00 0.07 1.00 -1.14 0.00 0.00 0.00 179.25 179.19 1f4p s GLN 84 N -3.18 4.14 -0.05 0.00 -0.44 -1.24 -1.41 119.66 117.48 1f4p s GLN 84 Ca 0.06 2.56 0.00 0.00 -2.50 0.00 0.00 55.36 55.49 1f4p s GLN 84 Cb 0.05 -3.17 0.00 0.00 -1.64 0.00 0.00 33.01 28.26 1f4p s GLN 84 CO 0.68 -0.74 0.00 0.41 0.50 0.00 0.00 175.29 176.14 1f4p n GLY 85 N 3.98 0.24 3.81 2.59 0.00 0.22 -4.90 105.19 111.13 1f4p n GLY 85 Ca 0.16 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1f4p n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f4p s ARG 86 N -1.24 4.23 -0.19 1.61 6.06 -0.50 -4.73 118.95 124.19 1f4p s ARG 86 Ca 0.00 0.78 -0.25 0.00 -2.50 0.00 0.00 55.73 53.75 1f4p s ARG 86 Cb 0.00 -3.21 -0.01 0.00 0.06 0.00 0.00 34.95 31.79 1f4p s ARG 86 CO 0.00 0.62 0.85 0.15 -2.50 0.00 0.00 175.30 174.41 1f4p s LYS 87 N -1.18 4.26 0.07 5.12 1.02 -1.26 -0.06 119.74 127.71 1f4p s LYS 87 Ca 0.31 1.02 0.01 0.00 0.02 0.00 0.00 55.97 57.33 1f4p s LYS 87 Cb -0.20 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1f4p s LYS 87 CO 0.20 -0.40 -0.05 0.08 -0.92 0.00 0.00 175.35 174.26 1f4p s VAL 88 N 2.40 0.47 0.05 3.17 1.01 -0.23 -1.30 120.40 125.97 1f4p s VAL 88 Ca 0.38 -1.70 -0.15 0.00 0.00 0.00 0.00 61.98 60.51 1f4p s VAL 88 Cb -0.16 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1f4p s VAL 88 CO 0.11 -0.82 0.34 0.00 0.00 0.00 0.00 175.10 174.72 1f4p s ALA 89 N -3.25 -0.78 0.20 5.51 0.00 -0.73 -0.97 121.76 121.75 1f4p s ALA 89 Ca 0.05 0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.20 1f4p s ALA 89 Cb 0.03 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1f4p s ALA 89 CO -0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 175.76 175.04 1f4p s PHE 91 N -1.84 0.01 -0.07 0.00 -0.12 -0.06 -1.13 117.98 114.78 1f4p s PHE 91 Ca 0.21 -0.37 -0.31 0.00 -0.05 0.00 0.00 56.93 56.42 1f4p s PHE 91 Cb -0.07 0.16 0.11 0.00 -0.63 0.00 0.00 43.02 42.59 1f4p s PHE 91 CO 0.10 -0.72 0.99 0.20 -0.05 0.00 0.00 175.22 175.74 1f4p s GLY 92 N -2.87 -0.40 0.10 1.99 0.00 -0.14 -1.59 107.32 104.42 1f4p s GLY 92 Ca 0.08 1.27 0.05 0.00 0.00 0.00 0.00 44.72 46.12 1f4p s GLY 92 CO -0.07 0.45 -0.00 0.00 0.00 0.00 0.00 173.10 173.47 1f4p n GLY 94 N 0.48 2.76 3.17 0.00 0.00 0.49 -3.53 105.19 108.56 1f4p n GLY 94 Ca -0.11 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1f4p n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f4p s ASP 95 N 2.00 -0.04 0.00 1.61 3.68 -1.26 -2.42 116.67 120.24 1f4p s ASP 95 Ca 0.00 0.85 0.11 0.00 2.13 0.00 0.00 52.55 55.64 1f4p s ASP 95 Cb 0.00 1.11 0.66 0.00 -1.45 0.00 0.00 42.92 43.24 1f4p s ASP 95 CO 0.00 -0.23 1.15 -1.54 0.13 0.00 0.00 175.17 174.68 1f4p n SER 96 N 5.36 0.00 0.24 -0.34 3.41 -1.26 -1.62 113.62 119.42 1f4p n SER 96 Ca -0.08 -0.89 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1f4p n SER 96 Cb 0.50 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.04 1f4p n SER 96 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f4p h SER 97 N 0.00 0.00 -3.32 4.04 0.02 -2.01 -3.41 113.55 108.86 1f4p h SER 97 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1f4p h SER 97 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1f4p h SER 97 CO 0.00 0.18 0.02 0.26 -1.14 0.00 0.00 176.83 176.15 1f4p s TRP 98 N -3.93 3.72 0.22 3.45 0.52 -0.64 -4.98 118.94 117.30 1f4p s TRP 98 Ca -0.01 1.27 -0.09 0.00 0.02 0.00 0.00 56.10 57.29 1f4p s TRP 98 Cb 0.12 -2.63 0.21 0.00 -1.15 0.00 0.00 33.47 30.02 1f4p s TRP 98 CO 0.61 0.38 1.88 1.49 0.02 0.00 0.00 176.95 181.33 1f4p h GLU 99 N 5.43 1.04 -3.67 4.98 4.57 -1.87 -3.05 114.58 122.01 1f4p h GLU 99 Ca -0.46 -0.06 -0.76 0.00 -1.18 0.00 0.00 59.36 56.90 1f4p h GLU 99 Cb 1.20 -0.23 -0.18 0.00 -0.16 0.00 0.00 28.75 29.38 1f4p h GLU 99 CO 0.69 0.69 1.70 0.66 -1.18 0.00 0.00 179.01 181.57 1f4p n TYR 100 N -4.54 3.31 -2.03 0.92 0.53 -1.26 -4.95 117.16 109.14 1f4p n TYR 100 Ca 0.09 -2.91 -0.42 0.00 -1.02 0.00 0.00 57.90 53.64 1f4p n TYR 100 Cb 0.05 -1.90 -0.03 0.00 -1.03 0.00 0.00 39.34 36.43 1f4p n TYR 100 CO 0.00 0.00 0.00 0.12 -1.02 0.00 0.00 176.86 175.96 1f4p s PHE 101 N 0.17 2.07 -1.44 -0.72 5.36 -1.16 -1.76 117.98 120.51 1f4p s PHE 101 Ca 0.39 0.26 -0.09 0.00 -0.96 0.00 0.00 56.93 56.53 1f4p s PHE 101 Cb 0.06 -3.89 0.05 0.00 -0.34 0.00 0.00 43.02 38.90 1f4p s PHE 101 CO 0.01 -3.70 0.68 0.00 -1.46 0.00 0.00 175.22 170.76 1f4p h GLY 103 N -1.46 0.00 1.10 0.00 0.00 -1.73 -0.41 103.07 100.56 1f4p h GLY 103 Ca -0.50 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.84 1f4p h GLY 103 CO 0.58 0.00 0.58 0.00 0.00 0.00 0.00 176.54 177.70 1f4p h ALA 104 N 1.88 1.40 -0.65 3.60 0.00 -1.87 -1.99 119.26 121.64 1f4p h ALA 104 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f4p h ALA 104 Cb 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1f4p h ALA 104 CO -0.00 0.54 0.42 0.28 0.00 0.00 0.00 179.25 180.49 1f4p h VAL 105 N 1.15 1.17 -0.75 0.00 2.07 -1.33 -1.43 116.25 117.14 1f4p h VAL 105 Ca 0.33 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1f4p h VAL 105 Cb -0.08 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1f4p h VAL 105 CO -0.08 0.17 0.35 0.44 0.02 0.00 0.00 177.57 178.47 1f4p h ASP 106 N 0.88 0.99 -0.81 0.57 5.19 -1.46 -0.47 116.42 121.30 1f4p h ASP 106 Ca 0.24 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1f4p h ASP 106 Cb -0.08 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.14 1f4p h ASP 106 CO -0.05 0.85 0.36 0.00 -3.12 0.00 0.00 179.24 177.28 1f4p h ALA 107 N 1.18 1.05 -0.25 3.45 0.00 -0.88 -1.31 119.26 122.50 1f4p h ALA 107 Ca 0.26 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1f4p h ALA 107 Cb 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1f4p h ALA 107 CO -0.03 0.65 -0.39 0.82 0.00 0.00 0.00 179.25 180.30 1f4p h ILE 108 N 1.17 1.31 -0.59 0.00 2.04 -1.05 -2.49 117.51 117.90 1f4p h ILE 108 Ca 0.28 -1.59 0.03 0.00 1.00 0.00 0.00 64.86 64.58 1f4p h ILE 108 Cb 0.17 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1f4p h ILE 108 CO -0.03 0.50 0.34 -0.33 0.00 0.00 0.00 178.15 178.64 1f4p h GLU 109 N 0.43 0.65 -0.75 2.37 5.08 -0.93 -0.77 114.58 120.67 1f4p h GLU 109 Ca 0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1f4p h GLU 109 Cb 0.98 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1f4p h GLU 109 CO 0.09 0.43 0.32 1.49 -1.00 0.00 0.00 179.01 180.34 1f4p h GLU 110 N 0.67 1.10 -0.36 2.33 4.81 -1.16 -0.74 114.58 121.23 1f4p h GLU 110 Ca 0.24 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1f4p h GLU 110 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1f4p h GLU 110 CO -0.12 0.89 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.81 1f4p h LYS 111 N 1.06 0.65 -0.72 1.92 3.64 -1.10 -2.18 116.57 119.85 1f4p h LYS 111 Ca 0.25 -0.22 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1f4p h LYS 111 Cb 0.18 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 1f4p h LYS 111 CO -0.02 0.78 0.39 -0.07 -2.27 0.00 0.00 179.45 178.25 1f4p h LEU 112 N 0.46 0.55 -0.70 5.20 3.38 -0.84 -0.82 115.31 122.55 1f4p h LEU 112 Ca 0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1f4p h LEU 112 Cb 0.50 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1f4p h LEU 112 CO 0.02 0.34 0.40 0.11 0.09 0.00 0.00 178.44 179.39 1f4p h LYS 113 N 0.69 0.97 -0.69 1.13 1.57 -0.87 -1.64 116.57 117.72 1f4p h LYS 113 Ca 0.34 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1f4p h LYS 113 Cb 0.28 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1f4p h LYS 113 CO -0.22 0.71 0.45 -0.91 -0.57 0.00 0.00 179.45 178.91 1f4p h ASN 114 N 0.96 0.80 0.38 0.86 2.35 -0.70 -2.15 115.58 118.08 1f4p h ASN 114 Ca 0.25 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1f4p h ASN 114 Cb 0.02 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1f4p h ASN 114 CO -0.04 0.59 0.00 0.18 -1.65 0.00 0.00 177.43 176.51 1f4p n LEU 115 N -4.42 0.00 0.00 1.61 4.77 -0.39 -4.87 117.00 113.69 1f4p n LEU 115 Ca 0.07 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1f4p n LEU 115 Cb 0.04 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1f4p n LEU 115 CO 0.36 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1f4p n GLY 116 N 0.89 0.67 3.81 -0.72 0.00 -0.81 -3.73 105.19 105.31 1f4p n GLY 116 Ca 0.14 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1f4p n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4p s ALA 117 N -2.00 2.54 -0.34 4.61 0.00 -0.69 -0.61 121.76 125.27 1f4p s ALA 117 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1f4p s ALA 117 Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1f4p s ALA 117 CO 0.00 -1.39 0.13 -2.00 0.00 0.00 0.00 175.76 172.50 1f4p s GLU 118 N -5.08 2.81 -0.36 0.00 2.12 0.92 -4.68 118.70 114.43 1f4p s GLU 118 Ca 0.59 -1.06 -0.24 0.00 0.36 0.00 0.00 54.97 54.61 1f4p s GLU 118 Cb -0.14 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.74 1f4p s GLU 118 CO 0.55 -0.62 0.85 0.42 -0.54 0.00 0.00 175.26 175.92 1f4p s ILE 119 N 1.47 4.66 -0.21 -3.70 -1.09 -1.26 -1.06 121.20 120.01 1f4p s ILE 119 Ca 0.00 1.04 0.18 0.00 -2.23 0.00 0.00 60.65 59.64 1f4p s ILE 119 Cb -0.19 -4.27 0.06 0.00 -1.58 0.00 0.00 42.46 36.49 1f4p s ILE 119 CO 0.04 -0.48 1.29 -0.37 -1.23 0.00 0.00 174.94 174.19 1f4p h VAL 120 N 5.78 0.52 -2.48 2.92 -1.51 -1.44 -3.46 116.25 116.58 1f4p h VAL 120 Ca -0.24 -1.80 -0.09 0.00 -1.23 0.00 0.00 66.70 63.34 1f4p h VAL 120 Cb 1.09 2.15 -0.20 0.00 -2.13 0.00 0.00 31.29 32.20 1f4p h VAL 120 CO 0.94 0.30 -0.04 -1.10 -1.23 0.00 0.00 177.57 176.44 1f4p s GLN 121 N -3.05 0.83 0.57 5.19 -1.52 -1.26 -4.87 119.66 115.55 1f4p s GLN 121 Ca 0.02 0.17 -0.21 0.00 -1.95 0.00 0.00 55.36 53.39 1f4p s GLN 121 Cb 0.08 0.39 -0.04 0.00 -0.22 0.00 0.00 33.01 33.21 1f4p s GLN 121 CO 0.75 -0.23 1.36 -0.25 -0.25 0.00 0.00 175.29 176.67 1f4p n ASP 122 N 1.38 2.61 -4.75 5.90 10.43 -1.26 -4.58 116.55 126.28 1f4p n ASP 122 Ca -0.19 0.95 -0.39 0.00 2.57 0.00 0.00 54.79 57.73 1f4p n ASP 122 Cb 0.56 -1.58 0.03 0.00 1.84 0.00 0.00 41.12 41.98 1f4p n ASP 122 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1f4p s GLY 123 N -1.01 2.89 -0.12 0.44 0.00 -1.26 -4.87 107.32 103.39 1f4p s GLY 123 Ca 0.74 1.35 -0.23 0.00 0.00 0.00 0.00 44.72 46.57 1f4p s GLY 123 CO 0.47 1.88 0.72 -2.27 0.00 0.00 0.00 173.10 173.90 1f4p s LEU 124 N -3.36 4.24 -0.16 0.66 2.96 -0.28 -4.96 118.68 117.78 1f4p s LEU 124 Ca 0.69 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 1f4p s LEU 124 Cb -0.41 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.22 1f4p s LEU 124 CO 0.49 -0.23 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.01 1f4p s ARG 125 N 1.40 2.42 -0.14 1.98 0.52 -1.26 -0.96 118.95 122.90 1f4p s ARG 125 Ca 0.36 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1f4p s ARG 125 Cb -0.17 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 1f4p s ARG 125 CO 0.15 -0.26 -0.09 0.42 0.02 0.00 0.00 175.30 175.54 1f4p s ILE 126 N 1.43 3.42 -0.18 1.52 1.01 -0.40 -5.01 121.20 122.99 1f4p s ILE 126 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1f4p s ILE 126 Cb -0.13 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1f4p s ILE 126 CO -0.11 0.51 0.16 -0.62 0.00 0.00 0.00 174.94 174.89 1f4p s ASP 127 N 0.33 6.28 0.36 3.58 2.15 -1.26 -0.38 116.67 127.73 1f4p s ASP 127 Ca -0.08 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1f4p s ASP 127 Cb -0.15 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1f4p s ASP 127 CO 0.04 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.85 1f4p n GLY 128 N 3.27 0.42 3.62 2.66 0.00 -1.02 -4.69 105.19 109.45 1f4p n GLY 128 Ca -0.16 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1f4p n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f4p s ASP 129 N -4.00 6.38 0.60 1.61 3.68 -1.26 -4.83 116.67 118.85 1f4p s ASP 129 Ca 0.00 1.20 0.35 0.00 2.13 0.00 0.00 52.55 56.23 1f4p s ASP 129 Cb 0.00 -2.54 1.90 0.00 -1.45 0.00 0.00 42.92 40.83 1f4p s ASP 129 CO 0.00 -1.33 2.22 1.55 0.13 0.00 0.00 175.17 177.74 1f4p h PRO 130 N 10.61 0.00 0.00 4.34 0.13 -1.89 -1.49 132.00 143.71 1f4p h PRO 130 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1f4p h PRO 130 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1f4p h PRO 130 CO 1.04 0.03 -0.14 0.00 -0.23 0.00 0.00 178.00 178.70 1f4p h ARG 131 N 0.00 0.00 0.00 0.86 3.08 -1.95 -0.52 114.38 115.85 1f4p h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f4p h ARG 131 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1f4p h ARG 131 CO 0.00 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 1f4p n ALA 132 N -2.27 2.06 -0.84 0.04 0.00 -0.56 -2.85 120.51 116.10 1f4p n ALA 132 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1f4p n ALA 132 Cb 0.28 -1.41 0.20 0.00 0.00 0.00 0.00 19.45 18.52 1f4p n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f4p n ALA 133 N -1.64 2.64 -0.27 0.00 0.00 -0.24 -4.80 120.51 116.21 1f4p n ALA 133 Ca 0.05 -2.14 0.07 0.00 0.00 0.00 0.00 53.44 51.41 1f4p n ALA 133 Cb 0.31 -0.55 0.21 0.00 0.00 0.00 0.00 19.45 19.43 1f4p n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1f4p h ARG 134 N 1.28 0.48 -0.51 0.00 2.43 -1.31 -0.57 114.38 116.17 1f4p h ARG 134 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1f4p h ARG 134 Cb 1.18 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1f4p h ARG 134 CO 0.12 0.32 0.22 -0.44 -1.51 0.00 0.00 179.97 178.68 1f4p h ASP 135 N 0.49 0.65 -0.25 -3.80 3.45 -1.87 -1.16 116.42 113.94 1f4p h ASP 135 Ca 0.44 -0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.70 1f4p h ASP 135 Cb 0.68 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1f4p h ASP 135 CO -0.41 0.58 -0.34 0.44 -1.57 0.00 0.00 179.24 177.95 1f4p h ASP 136 N 0.72 0.81 -0.01 6.45 3.45 -1.51 -0.47 116.42 125.87 1f4p h ASP 136 Ca 0.18 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 1f4p h ASP 136 Cb 0.12 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1f4p h ASP 136 CO -0.02 1.07 -0.00 0.40 -1.57 0.00 0.00 179.24 179.12 1f4p h ILE 137 N 0.64 1.29 -0.82 0.35 2.04 -0.64 -1.13 117.51 119.24 1f4p h ILE 137 Ca 0.07 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.13 1f4p h ILE 137 Cb 0.88 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1f4p h ILE 137 CO 0.08 0.23 0.49 0.58 0.00 0.00 0.00 178.15 179.53 1f4p h VAL 138 N -0.35 1.01 -0.76 1.67 2.07 -1.24 -0.73 116.25 117.91 1f4p h VAL 138 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1f4p h VAL 138 Cb 0.37 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1f4p h VAL 138 CO 0.00 0.16 0.33 1.23 0.02 0.00 0.00 177.57 179.32 1f4p h GLY 139 N 0.89 1.20 1.27 2.17 0.00 -1.03 -1.65 103.07 105.92 1f4p h GLY 139 Ca 0.36 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1f4p h GLY 139 CO -0.19 0.59 -0.33 -0.25 0.00 0.00 0.00 176.54 176.36 1f4p h TRP 140 N 1.09 0.96 -0.79 5.60 7.01 -0.65 -1.09 115.95 128.08 1f4p h TRP 140 Ca 0.26 -0.26 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1f4p h TRP 140 Cb 0.17 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.98 1f4p h TRP 140 CO 0.01 1.04 0.52 0.00 -2.79 0.00 0.00 178.44 177.22 1f4p h ALA 141 N 0.94 1.01 -0.35 2.65 0.00 -0.88 0.15 119.26 122.78 1f4p h ALA 141 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1f4p h ALA 141 Cb 0.89 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1f4p h ALA 141 CO 0.08 0.41 -0.12 1.25 0.00 0.00 0.00 179.25 180.87 1f4p h HIS 142 N 1.07 0.65 -0.21 0.00 -0.00 -0.83 -1.38 115.15 114.45 1f4p h HIS 142 Ca 0.29 -0.11 -0.15 0.00 -0.00 0.00 0.00 60.37 60.40 1f4p h HIS 142 Cb -0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1f4p h HIS 142 CO -0.02 0.70 -0.50 -0.44 -0.00 0.00 0.00 177.93 177.67 1f4p h ASP 143 N 0.55 0.63 -0.34 3.26 3.45 -0.41 -2.18 116.42 121.39 1f4p h ASP 143 Ca 0.10 -0.32 -0.02 0.00 0.43 0.00 0.00 57.03 57.22 1f4p h ASP 143 Cb 0.53 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 1f4p h ASP 143 CO 0.03 1.03 0.14 0.58 -1.57 0.00 0.00 179.24 179.45 1f4p h VAL 144 N 0.45 1.19 -0.88 -1.35 2.07 -0.41 -2.38 116.25 114.94 1f4p h VAL 144 Ca 0.02 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1f4p h VAL 144 Cb 1.04 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1f4p h VAL 144 CO 0.10 0.20 0.56 0.03 0.02 0.00 0.00 177.57 178.47 1f4p h ARG 145 N 0.41 1.01 0.00 1.57 3.08 -1.08 -1.65 114.38 117.73 1f4p h ARG 145 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1f4p h ARG 145 Cb 0.18 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1f4p h ARG 145 CO -0.01 0.67 0.00 0.41 -1.07 0.00 0.00 179.97 179.97 1f4p n GLY 146 N -1.33 -1.02 0.35 0.04 0.00 -0.83 -2.99 105.19 99.39 1f4p n GLY 146 Ca 0.12 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1f4p n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f4p n ALA 147 N -1.23 3.78 0.96 4.61 0.00 -0.63 -5.08 120.51 122.93 1f4p n ALA 147 Ca 0.13 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1f4p n ALA 147 Cb 0.17 -0.74 0.46 0.00 0.00 0.00 0.00 19.45 19.34 1f4p n ALA 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61