#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfl n SER 2 N 0.00 -7.44 -1.15 1.61 2.88 -1.26 -4.96 113.62 103.30 1rfl n SER 2 Ca 0.00 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1rfl n SER 2 Cb 0.00 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.39 1rfl n SER 2 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1rfl n LEU 3 N 1.37 -1.27 -2.36 2.46 0.00 -1.26 -5.00 117.00 110.95 1rfl n LEU 3 Ca 0.00 2.09 -0.02 0.00 0.00 0.00 0.00 56.01 58.08 1rfl n LEU 3 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 43.42 41.39 1rfl n LEU 3 CO 0.00 -0.54 -0.45 0.18 0.00 0.00 0.00 177.39 176.58 1rfl n LEU 4 N -2.22 -5.72 -4.75 -1.96 4.77 -1.26 -5.02 117.00 100.85 1rfl n LEU 4 Ca 0.00 1.46 -0.36 0.00 -0.03 0.00 0.00 56.01 57.08 1rfl n LEU 4 Cb 0.33 -2.74 -0.08 0.00 -2.33 0.00 0.00 43.42 38.60 1rfl n LEU 4 CO 0.00 -2.78 -0.26 -0.13 -1.33 0.00 0.00 177.39 172.89 1rfl s ARG 5 N -0.96 3.13 0.66 3.23 0.52 -1.26 -4.61 118.95 119.67 1rfl s ARG 5 Ca -0.12 -0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 54.69 1rfl s ARG 5 Cb 0.01 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.59 1rfl s ARG 5 CO 0.60 0.73 0.99 -1.83 0.02 0.00 0.00 175.30 175.80 1rfl s GLU 6 N -0.92 2.59 0.00 3.54 -1.05 -1.26 -3.95 118.70 117.64 1rfl s GLU 6 Ca 0.14 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 1rfl s GLU 6 Cb -0.12 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 1rfl s GLU 6 CO 0.03 -1.00 0.00 0.41 0.95 0.00 0.00 175.26 175.65 1rfl n GLY 7 N -2.81 -0.09 3.83 -3.83 0.00 -1.19 -4.42 105.19 96.68 1rfl n GLY 7 Ca 0.06 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 46.76 1rfl n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rfl s MET 8 N 0.00 1.81 0.22 1.61 0.23 -1.26 -4.14 119.30 117.77 1rfl s MET 8 Ca 0.00 -1.05 0.03 0.00 -1.03 0.00 0.00 55.69 53.64 1rfl s MET 8 Cb 0.00 0.60 -0.05 0.00 -1.53 0.00 0.00 34.83 33.85 1rfl s MET 8 CO 0.00 -0.82 -0.01 0.15 -2.03 0.00 0.00 175.02 172.31 1rfl s LYS 9 N -3.79 1.28 0.05 3.16 3.01 -1.26 -4.96 119.74 117.23 1rfl s LYS 9 Ca 0.12 -1.64 -0.06 0.00 -1.01 0.00 0.00 55.97 53.38 1rfl s LYS 9 Cb -0.05 -0.55 -0.01 0.00 -1.01 0.00 0.00 37.83 36.21 1rfl s LYS 9 CO 0.08 -0.10 0.11 0.54 0.51 0.00 0.00 175.35 176.49 1rfl s VAL 10 N -3.46 0.15 -0.30 3.17 0.11 -1.26 -3.77 120.40 115.04 1rfl s VAL 10 Ca 0.27 -1.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1rfl s VAL 10 Cb 0.06 -1.12 0.10 0.00 -1.53 0.00 0.00 36.38 33.89 1rfl s VAL 10 CO 0.08 -0.67 0.11 0.54 -3.33 0.00 0.00 175.10 171.83 1rfl s VAL 11 N -3.16 0.37 -1.06 2.04 0.11 -1.21 -4.82 120.40 112.67 1rfl s VAL 11 Ca -0.00 -1.05 -0.15 0.00 -2.93 0.00 0.00 61.98 57.86 1rfl s VAL 11 Cb 0.02 -1.29 0.18 0.00 -1.53 0.00 0.00 36.38 33.76 1rfl s VAL 11 CO -0.07 -0.69 1.20 -0.63 -3.33 0.00 0.00 175.10 171.57 1rfl s ILE 12 N 1.87 5.18 0.68 7.04 1.01 -1.26 -3.83 121.20 131.90 1rfl s ILE 12 Ca 0.09 -2.43 -0.08 0.00 0.00 0.00 0.00 60.65 58.23 1rfl s ILE 12 Cb -0.17 -4.76 0.04 0.00 0.01 0.00 0.00 42.46 37.58 1rfl s ILE 12 CO -0.31 -1.43 1.01 0.00 0.00 0.00 0.00 174.94 174.21 1rfl s ALA 13 N 1.24 3.11 0.00 9.38 0.00 -1.26 -4.94 121.76 129.29 1rfl s ALA 13 Ca 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1rfl s ALA 13 Cb -0.06 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1rfl s ALA 13 CO -0.05 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 174.95 1rfl n GLY 14 N -2.88 4.22 3.28 0.00 0.00 -1.26 -4.20 105.19 104.35 1rfl n GLY 14 Ca 0.07 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 1rfl n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rfl n ARG 15 N 0.00 0.04 -1.54 1.61 1.85 -1.26 -4.95 116.66 112.41 1rfl n ARG 15 Ca 0.00 0.04 -0.29 0.00 -1.00 0.00 0.00 57.85 56.60 1rfl n ARG 15 Cb 0.00 -1.45 0.14 0.00 -1.05 0.00 0.00 32.46 30.10 1rfl n ARG 15 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1rfl s PRO 16 N -2.41 1.03 -0.71 2.89 0.04 -1.26 -4.36 135.00 130.22 1rfl s PRO 16 Ca 0.55 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.83 1rfl s PRO 16 Cb -0.30 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1rfl s PRO 16 CO 0.69 -2.26 0.59 -1.71 0.04 0.00 0.00 177.00 174.35 1rfl n ASN 17 N -3.80 -2.08 -0.94 6.66 2.85 -1.26 -4.93 115.26 111.77 1rfl n ASN 17 Ca 0.07 -0.37 -0.05 0.00 -0.11 0.00 0.00 54.58 54.13 1rfl n ASN 17 Cb 0.59 -3.26 -0.05 0.00 1.24 0.00 0.00 39.78 38.31 1rfl n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rfl n ALA 18 N -2.86 3.27 -3.28 5.20 0.00 -1.26 -5.04 120.51 116.54 1rfl n ALA 18 Ca -0.17 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.44 1rfl n ALA 18 Cb 0.60 -0.31 0.01 0.00 0.00 0.00 0.00 19.45 19.75 1rfl n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 19 N 0.04 -1.13 0.46 0.00 0.00 -1.26 -4.62 105.19 98.69 1rfl n GLY 19 Ca -0.19 0.71 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 1rfl n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rfl n LYS 20 N -1.60 0.33 -0.10 1.61 4.81 -1.26 -4.40 118.16 117.55 1rfl n LYS 20 Ca -0.08 0.13 -0.06 0.00 -0.87 0.00 0.00 58.31 57.44 1rfl n LYS 20 Cb 0.57 -1.08 0.01 0.00 0.02 0.00 0.00 35.03 34.55 1rfl n LYS 20 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1rfl h SER 21 N -0.61 -0.16 -1.02 3.14 0.02 -1.97 -0.10 113.55 112.85 1rfl h SER 21 Ca -0.09 0.08 0.27 0.00 -0.84 0.00 0.00 61.79 61.21 1rfl h SER 21 Cb 0.76 0.15 -0.12 0.00 0.14 0.00 0.00 62.40 63.33 1rfl h SER 21 CO -0.05 -0.04 0.61 0.28 -1.14 0.00 0.00 176.83 176.49 1rfl h SER 22 N 0.09 0.60 0.69 3.07 0.02 -1.97 0.99 113.55 117.04 1rfl h SER 22 Ca 0.17 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1rfl h SER 22 Cb 0.24 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1rfl h SER 22 CO -0.29 0.06 -0.45 0.25 -1.14 0.00 0.00 176.83 175.26 1rfl h LEU 23 N 0.50 -1.14 -1.07 5.07 6.46 -1.22 0.47 115.31 124.37 1rfl h LEU 23 Ca 0.65 0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.66 1rfl h LEU 23 Cb 1.38 0.34 -0.10 0.00 -0.73 0.00 0.00 40.66 41.56 1rfl h LEU 23 CO -0.46 -0.68 0.62 0.17 -0.62 0.00 0.00 178.44 177.46 1rfl h LEU 24 N -1.08 0.77 -0.27 2.25 8.10 -0.72 0.14 115.31 124.50 1rfl h LEU 24 Ca -0.09 0.08 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1rfl h LEU 24 Cb 0.88 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 1rfl h LEU 24 CO 0.08 0.31 0.11 0.78 -4.11 0.00 0.00 178.44 175.61 1rfl h ASN 25 N 0.77 0.36 -0.47 0.17 4.21 -0.16 -1.03 115.58 119.43 1rfl h ASN 25 Ca 0.55 -0.16 0.07 0.00 1.21 0.00 0.00 56.30 57.97 1rfl h ASN 25 Cb 0.85 -0.09 -0.09 0.00 -1.12 0.00 0.00 38.32 37.86 1rfl h ASN 25 CO -0.33 0.42 -0.47 0.00 -1.29 0.00 0.00 177.43 175.76 1rfl h ALA 26 N 0.96 -0.49 -1.30 -0.83 0.00 0.27 -1.02 119.26 116.85 1rfl h ALA 26 Ca 0.09 0.06 -0.75 0.00 0.00 0.00 0.00 54.91 54.31 1rfl h ALA 26 Cb 0.17 0.98 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 1rfl h ALA 26 CO -0.01 -0.90 0.70 1.47 0.00 0.00 0.00 179.25 180.51 1rfl n LEU 27 N -5.40 6.86 -0.12 0.00 -0.00 -0.90 -4.55 117.00 112.89 1rfl n LEU 27 Ca -0.01 -5.21 -0.23 0.00 -0.00 0.00 0.00 56.01 50.57 1rfl n LEU 27 Cb 0.35 -1.00 -0.08 0.00 -0.00 0.00 0.00 43.42 42.69 1rfl n LEU 27 CO 0.01 2.00 -1.18 0.00 -0.00 0.00 0.00 177.39 178.22 1rfl n ALA 28 N -0.30 1.24 0.00 1.47 0.00 -0.39 -4.73 120.51 117.80 1rfl n ALA 28 Ca 0.47 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1rfl n ALA 28 Cb 0.30 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1rfl n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 29 N 1.43 2.71 3.76 0.00 0.00 -1.26 -4.25 105.19 107.58 1rfl n GLY 29 Ca -0.41 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1rfl n GLY 29 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rfl s ARG 30 N 0.00 3.36 -0.03 1.61 1.70 -1.26 -4.98 118.95 119.35 1rfl s ARG 30 Ca 0.00 1.91 -0.10 0.00 -0.47 0.00 0.00 55.73 57.07 1rfl s ARG 30 Cb 0.00 -2.22 -0.05 0.00 -0.57 0.00 0.00 34.95 32.11 1rfl s ARG 30 CO 0.00 -0.92 0.51 1.49 -1.08 0.00 0.00 175.30 175.30 1rfl h GLU 31 N 1.54 -0.34 -5.37 3.89 4.57 -1.98 -3.40 114.58 113.48 1rfl h GLU 31 Ca -0.50 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 1rfl h GLU 31 Cb 1.28 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 1rfl h GLU 31 CO 0.58 -0.23 0.09 0.00 -1.18 0.00 0.00 179.01 178.27 1rfl s ALA 32 N -3.57 0.77 0.12 2.92 0.00 -1.26 -4.88 121.76 115.87 1rfl s ALA 32 Ca -0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 1rfl s ALA 32 Cb 0.01 -4.58 -0.09 0.00 0.00 0.00 0.00 23.12 18.46 1rfl s ALA 32 CO 0.16 -5.87 1.46 0.00 0.00 0.00 0.00 175.76 171.51 1rfl s ALA 33 N 14.45 3.66 -0.28 0.00 0.00 -1.26 -4.98 121.76 133.34 1rfl s ALA 33 Ca 0.90 1.20 -0.10 0.00 0.00 0.00 0.00 51.96 53.96 1rfl s ALA 33 Cb -0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1rfl s ALA 33 CO 0.07 -0.70 0.15 0.42 0.00 0.00 0.00 175.76 175.70 1rfl s ILE 34 N 1.24 4.81 -0.09 0.00 -1.09 -1.26 -5.08 121.20 119.73 1rfl s ILE 34 Ca 0.67 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.93 1rfl s ILE 34 Cb -0.39 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1rfl s ILE 34 CO 0.30 0.20 0.04 0.68 -1.23 0.00 0.00 174.94 174.94 1rfl s VAL 35 N 1.67 4.63 -0.01 2.92 -7.23 -1.26 -5.07 120.40 116.06 1rfl s VAL 35 Ca 0.06 -0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.14 1rfl s VAL 35 Cb -0.16 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1rfl s VAL 35 CO 0.07 0.59 -0.19 0.42 -0.31 0.00 0.00 175.10 175.69 1rfl s THR 36 N -0.94 1.49 -0.59 5.32 -4.23 -1.26 -5.09 115.64 110.34 1rfl s THR 36 Ca 0.14 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1rfl s THR 36 Cb -0.12 -1.24 0.15 0.00 1.34 0.00 0.00 72.50 72.63 1rfl s THR 36 CO 0.03 0.40 0.36 -1.81 -0.54 0.00 0.00 174.62 173.06 1rfl s ASP 37 N -0.49 4.69 0.02 3.99 1.11 -1.26 -5.05 116.67 119.67 1rfl s ASP 37 Ca 0.07 -3.10 -0.01 0.00 0.18 0.00 0.00 52.55 49.69 1rfl s ASP 37 Cb -0.07 -1.71 -0.02 0.00 1.07 0.00 0.00 42.92 42.19 1rfl s ASP 37 CO -0.01 -0.25 -0.00 -0.51 1.18 0.00 0.00 175.17 175.58 1rfl s ILE 38 N -0.42 0.10 -0.21 0.77 1.10 -1.26 -5.07 121.20 116.21 1rfl s ILE 38 Ca 0.18 -0.83 -0.16 0.00 -0.51 0.00 0.00 60.65 59.33 1rfl s ILE 38 Cb -0.21 -0.27 -0.10 0.00 0.15 0.00 0.00 42.46 42.03 1rfl s ILE 38 CO -0.03 -0.46 -0.25 0.00 -2.11 0.00 0.00 174.94 172.09 1rfl n ALA 39 N 1.65 0.92 -1.44 1.50 0.00 -1.26 -4.89 120.51 117.00 1rfl n ALA 39 Ca -0.23 -0.82 -0.43 0.00 0.00 0.00 0.00 53.44 51.96 1rfl n ALA 39 Cb 0.55 -0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 1rfl n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 40 N 1.40 -0.44 3.66 0.00 0.00 -1.26 -4.78 105.19 103.77 1rfl n GLY 40 Ca -0.30 1.13 -0.41 0.00 0.00 0.00 0.00 46.02 46.44 1rfl n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rfl n THR 41 N 7.24 2.44 -1.25 2.61 -2.24 -1.26 -4.93 114.28 116.89 1rfl n THR 41 Ca 0.63 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.59 1rfl n THR 41 Cb 0.02 -1.37 0.11 0.00 -2.10 0.00 0.00 70.33 66.99 1rfl n THR 41 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rfl s THR 42 N -1.21 2.50 -0.41 4.28 -4.23 -1.26 -4.93 115.64 110.39 1rfl s THR 42 Ca 0.61 0.21 0.23 0.00 -1.18 0.00 0.00 61.69 61.56 1rfl s THR 42 Cb -0.54 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1rfl s THR 42 CO 0.58 -0.17 1.52 0.03 -0.54 0.00 0.00 174.62 176.04 1rfl h ARG 43 N -0.80 0.00 -0.15 3.99 3.08 -1.96 -3.14 114.38 115.40 1rfl h ARG 43 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1rfl h ARG 43 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1rfl h ARG 43 CO 0.48 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.13 1rfl n ASP 44 N -3.02 2.49 -2.41 7.04 8.00 -1.26 -4.31 116.55 123.08 1rfl n ASP 44 Ca 0.03 -1.72 -0.07 0.00 0.71 0.00 0.00 54.79 53.75 1rfl n ASP 44 Cb 0.53 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1rfl n ASP 44 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1rfl n VAL 45 N 0.80 -0.33 -3.97 2.53 3.14 -1.19 -4.30 118.33 115.01 1rfl n VAL 45 Ca 0.10 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.17 1rfl n VAL 45 Cb 0.39 -1.02 -0.14 0.00 -1.06 0.00 0.00 33.84 32.01 1rfl n VAL 45 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1rfl s LEU 46 N -5.25 4.67 0.00 6.55 2.96 -1.26 -4.69 118.68 121.66 1rfl s LEU 46 Ca 0.00 -2.45 0.00 0.00 -0.22 0.00 0.00 54.13 51.46 1rfl s LEU 46 Cb 0.00 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1rfl s LEU 46 CO 0.00 -0.34 0.65 -2.11 -1.32 0.00 0.00 176.35 173.22 1rfl n ARG 47 N 3.88 1.01 -1.38 1.98 0.00 -1.26 -4.78 116.66 116.12 1rfl n ARG 47 Ca 0.04 -0.82 -0.30 0.00 -0.00 0.00 0.00 57.85 56.77 1rfl n ARG 47 Cb 0.39 -0.69 0.09 0.00 -0.00 0.00 0.00 32.46 32.25 1rfl n ARG 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1rfl n GLU 48 N -0.17 2.70 0.00 2.89 4.71 -1.26 -5.05 120.64 124.45 1rfl n GLU 48 Ca 0.00 -3.36 0.00 0.00 -0.01 0.00 0.00 57.16 53.79 1rfl n GLU 48 Cb 0.38 -2.25 0.00 0.00 -1.01 0.00 0.00 31.44 28.56 1rfl n GLU 48 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1rfl n HIS 49 N -0.94 -0.02 -3.48 -0.32 -0.00 -1.26 -4.72 115.22 104.47 1rfl n HIS 49 Ca 0.59 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.66 1rfl n HIS 49 Cb 0.88 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.65 1rfl n HIS 49 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rfl s ILE 50 N 0.00 -0.55 -0.32 3.57 -1.09 -1.26 -4.97 121.20 116.58 1rfl s ILE 50 Ca 0.00 0.02 -0.16 0.00 -2.23 0.00 0.00 60.65 58.28 1rfl s ILE 50 Cb 0.00 -0.71 -0.02 0.00 -1.58 0.00 0.00 42.46 40.15 1rfl s ILE 50 CO 0.00 -0.06 0.42 -2.28 -1.23 0.00 0.00 174.94 171.79 1rfl s HIS 51 N 2.51 3.21 -0.08 3.97 5.65 -1.26 -4.98 115.29 124.32 1rfl s HIS 51 Ca 0.07 0.17 0.01 0.00 0.25 0.00 0.00 55.06 55.56 1rfl s HIS 51 Cb -0.14 -2.73 0.02 0.00 -1.18 0.00 0.00 32.58 28.55 1rfl s HIS 51 CO -0.14 -0.41 -0.08 0.42 -0.65 0.00 0.00 174.74 173.88 1rfl s ILE 52 N 2.16 0.92 -0.08 0.89 -1.09 -1.26 -5.02 121.20 117.73 1rfl s ILE 52 Ca 0.15 -0.31 -0.12 0.00 -2.23 0.00 0.00 60.65 58.15 1rfl s ILE 52 Cb -0.16 -0.90 -0.29 0.00 -1.58 0.00 0.00 42.46 39.53 1rfl s ILE 52 CO 0.12 0.32 0.57 0.44 -1.23 0.00 0.00 174.94 175.16 1rfl h ASP 53 N 7.46 0.50 0.00 3.58 3.32 -1.97 -3.40 116.42 125.91 1rfl h ASP 53 Ca -0.31 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 55.83 1rfl h ASP 53 Cb 1.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1rfl h ASP 53 CO 0.44 1.75 0.00 0.61 -1.72 0.00 0.00 179.24 180.32 1rfl n GLY 54 N 1.85 -3.25 3.54 2.75 0.00 -1.26 -4.79 105.19 104.02 1rfl n GLY 54 Ca -0.26 0.57 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 1rfl n GLY 54 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rfl s MET 55 N -2.19 1.82 -0.07 1.61 -1.94 -1.26 -5.02 119.30 112.25 1rfl s MET 55 Ca 0.00 -2.03 -0.17 0.00 -1.71 0.00 0.00 55.69 51.78 1rfl s MET 55 Cb 0.00 -1.23 -0.12 0.00 2.01 0.00 0.00 34.83 35.49 1rfl s MET 55 CO 0.00 -0.15 0.63 -1.00 -0.01 0.00 0.00 175.02 174.50 1rfl h PRO 56 N 1.92 -0.20 -6.39 2.03 0.13 -1.86 -3.43 132.00 124.20 1rfl h PRO 56 Ca -0.42 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 1rfl h PRO 56 Cb 1.25 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1rfl h PRO 56 CO 0.74 0.16 0.01 -0.48 -0.23 0.00 0.00 178.00 178.20 1rfl s LEU 57 N -8.83 4.40 0.25 1.56 -0.00 -1.26 -4.85 118.68 109.95 1rfl s LEU 57 Ca -0.10 1.27 0.00 0.00 -0.00 0.00 0.00 54.13 55.30 1rfl s LEU 57 Cb -0.00 -3.28 0.00 0.00 -0.00 0.00 0.00 46.19 42.91 1rfl s LEU 57 CO 0.36 0.13 0.00 1.57 -0.00 0.00 0.00 176.35 178.41 1rfl n HIS 58 N 1.05 -3.48 -1.91 3.48 -0.00 -1.26 -5.13 115.22 107.98 1rfl n HIS 58 Ca -0.06 0.85 0.00 0.00 0.46 0.00 0.00 57.72 58.97 1rfl n HIS 58 Cb 0.51 2.32 0.00 0.00 -0.12 0.00 0.00 29.99 32.70 1rfl n HIS 58 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1rfl n ILE 59 N -3.02-11.48 -4.10 3.57 -0.00 -1.26 -5.07 119.36 98.00 1rfl n ILE 59 Ca 0.00 2.74 -0.09 0.00 -0.00 0.00 0.00 62.75 65.40 1rfl n ILE 59 Cb 0.00 -5.17 -0.10 0.00 -0.00 0.00 0.00 39.64 34.37 1rfl n ILE 59 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1rfl s ILE 60 N -0.45 0.39 -0.03 1.39 -1.09 -1.26 -5.16 121.20 114.99 1rfl s ILE 60 Ca 0.00 -1.67 0.01 0.00 -2.23 0.00 0.00 60.65 56.77 1rfl s ILE 60 Cb 0.00 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.57 1rfl s ILE 60 CO 0.00 -0.84 -0.05 -1.81 -1.23 0.00 0.00 174.94 171.02 1rfl s ASP 61 N -2.64 0.86 -1.15 3.58 1.11 -1.26 -4.93 116.67 112.24 1rfl s ASP 61 Ca 0.04 -0.12 -0.07 0.00 0.18 0.00 0.00 52.55 52.58 1rfl s ASP 61 Cb 0.03 -0.37 0.26 0.00 1.07 0.00 0.00 42.92 43.91 1rfl s ASP 61 CO -0.06 -0.03 1.48 1.07 1.18 0.00 0.00 175.17 178.81 1rfl n THR 62 N 3.82 4.84 -0.08 -1.27 5.66 -1.26 -4.92 114.28 121.06 1rfl n THR 62 Ca -0.23 -5.35 0.00 0.00 -3.05 0.00 0.00 64.05 55.42 1rfl n THR 62 Cb 0.52 -2.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.00 1rfl n THR 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rfl n ALA 63 N 2.65 0.00 0.08 1.79 0.00 -1.26 -4.66 120.51 119.12 1rfl n ALA 63 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1rfl n ALA 63 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1rfl n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 64 N 0.68 -1.78 3.82 0.00 0.00 -1.26 -4.54 105.19 102.11 1rfl n GLY 64 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 1rfl n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rfl s LEU 65 N -5.56 3.46 0.26 0.99 1.43 -1.26 -4.88 118.68 113.13 1rfl s LEU 65 Ca 0.00 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1rfl s LEU 65 Cb 0.00 -2.04 0.49 0.00 0.03 0.00 0.00 46.19 44.67 1rfl s LEU 65 CO 0.00 -0.40 1.61 -0.09 0.23 0.00 0.00 176.35 177.70 1rfl h ARG 66 N 1.29 0.06 -0.18 1.70 9.65 -2.01 0.52 114.38 125.42 1rfl h ARG 66 Ca -0.44 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.46 1rfl h ARG 66 Cb 1.26 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.78 1rfl h ARG 66 CO 0.60 0.04 -0.26 0.93 2.80 0.00 0.00 179.97 184.08 1rfl h GLU 67 N 0.07 -0.19 0.76 0.20 5.08 -1.97 0.77 114.58 119.30 1rfl h GLU 67 Ca 0.45 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1rfl h GLU 67 Cb 0.81 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1rfl h GLU 67 CO -0.76 -0.13 -0.42 0.00 -1.00 0.00 0.00 179.01 176.71 1rfl h ALA 68 N -0.73 -1.11 -1.11 3.43 0.00 -1.40 0.29 119.26 118.64 1rfl h ALA 68 Ca 0.03 -0.23 0.44 0.00 0.00 0.00 0.00 54.91 55.15 1rfl h ALA 68 Cb 0.28 0.49 -0.17 0.00 0.00 0.00 0.00 17.79 18.39 1rfl h ALA 68 CO -0.27 -1.13 0.64 0.43 0.00 0.00 0.00 179.25 178.91 1rfl n SER 69 N -5.57 0.31 0.00 0.00 7.64 0.17 0.19 113.62 116.35 1rfl n SER 69 Ca -0.14 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.31 1rfl n SER 69 Cb 0.45 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1rfl n SER 69 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1rfl n ASP 70 N -5.10 0.00 -0.35 6.43 9.92 0.26 -3.31 116.55 124.40 1rfl n ASP 70 Ca 0.39 0.54 0.13 0.00 -0.53 0.00 0.00 54.79 55.32 1rfl n ASP 70 Cb 1.37 -0.46 0.26 0.00 -0.64 0.00 0.00 41.12 41.64 1rfl n ASP 70 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1rfl h GLU 71 N 0.00 0.00 -0.52 -1.24 3.07 0.69 0.33 114.58 116.92 1rfl h GLU 71 Ca 0.00 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1rfl h GLU 71 Cb 0.00 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.82 1rfl h GLU 71 CO 0.00 0.00 -0.55 0.28 -1.40 0.00 0.00 179.01 177.34 1rfl h VAL 72 N 0.00 0.00 -0.80 3.13 2.07 0.19 0.19 116.25 121.03 1rfl h VAL 72 Ca 0.57 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.26 1rfl h VAL 72 Cb 1.13 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.74 1rfl h VAL 72 CO -0.95 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 176.12 1rfl h GLU 73 N -0.31 0.01 -0.14 1.57 3.07 -0.33 1.00 114.58 119.44 1rfl h GLU 73 Ca 0.09 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.99 1rfl h GLU 73 Cb 0.54 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.39 1rfl h GLU 73 CO -0.65 0.00 -0.39 -0.09 -1.40 0.00 0.00 179.01 176.48 1rfl h ARG 74 N 0.01 -0.44 -0.77 2.33 2.43 -0.39 0.22 114.38 117.77 1rfl h ARG 74 Ca 0.39 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.76 1rfl h ARG 74 Cb 0.60 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.11 1rfl h ARG 74 CO -0.81 -0.29 -0.09 0.82 -1.51 0.00 0.00 179.97 178.08 1rfl h ILE 75 N -0.46 0.28 -1.22 1.20 1.08 0.42 0.49 117.51 119.30 1rfl h ILE 75 Ca 0.09 -0.02 -0.70 0.00 -0.39 0.00 0.00 64.86 63.84 1rfl h ILE 75 Cb 0.60 0.23 -0.29 0.00 -3.07 0.00 0.00 36.82 34.29 1rfl h ILE 75 CO -0.39 0.01 0.91 0.61 -0.69 0.00 0.00 178.15 178.59 1rfl n GLY 76 N -1.46 5.80 7.00 5.37 0.00 -0.26 -4.99 105.19 116.66 1rfl n GLY 76 Ca 0.12 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1rfl n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rfl n ILE 77 N -0.83 0.00 -1.44 -0.61 -0.00 0.17 -4.92 119.36 111.72 1rfl n ILE 77 Ca 0.61 0.00 0.17 0.00 -0.00 0.00 0.00 62.75 63.53 1rfl n ILE 77 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.11 1rfl n ILE 77 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1rfl n GLU 78 N 0.00 -3.34 0.00 0.38 1.02 -1.20 -3.03 120.64 114.46 1rfl n GLU 78 Ca 0.00 2.74 0.00 0.00 -0.02 0.00 0.00 57.16 59.88 1rfl n GLU 78 Cb 0.00 -3.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.52 1rfl n GLU 78 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rfl n ARG 79 N -4.34 0.00 0.00 3.49 3.00 -1.26 -4.80 116.66 112.75 1rfl n ARG 79 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.75 1rfl n ARG 79 Cb 0.69 -0.49 0.00 0.00 0.00 0.00 0.00 32.46 32.66 1rfl n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rfl n ALA 80 N -1.04 0.00 -3.58 7.54 0.00 -1.26 -4.97 120.51 117.20 1rfl n ALA 80 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1rfl n ALA 80 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1rfl n ALA 80 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1rfl s TRP 81 N -1.92 3.75 -0.14 0.00 -0.00 -1.26 -4.91 118.94 114.46 1rfl s TRP 81 Ca 0.00 -2.72 0.02 0.00 -0.00 0.00 0.00 56.10 53.40 1rfl s TRP 81 Cb 0.00 -3.39 0.00 0.00 -0.00 0.00 0.00 33.47 30.08 1rfl s TRP 81 CO 0.00 -0.84 -0.20 -1.14 -0.00 0.00 0.00 176.95 174.77 1rfl s GLN 82 N -0.68 3.10 0.26 5.86 2.00 -1.26 -5.09 119.66 123.85 1rfl s GLN 82 Ca 0.23 -0.82 -0.29 0.00 -2.00 0.00 0.00 55.36 52.48 1rfl s GLN 82 Cb -0.12 -2.47 -0.15 0.00 0.80 0.00 0.00 33.01 31.07 1rfl s GLN 82 CO -0.08 0.05 0.97 -1.91 -0.50 0.00 0.00 175.29 173.81 1rfl n GLU 83 N 3.93 1.15 -3.44 1.67 4.07 -1.26 -4.98 120.64 121.78 1rfl n GLU 83 Ca -0.19 0.40 -0.13 0.00 -0.06 0.00 0.00 57.16 57.18 1rfl n GLU 83 Cb 0.52 -1.74 -0.10 0.00 -0.06 0.00 0.00 31.44 30.05 1rfl n GLU 83 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1rfl s ILE 84 N -0.93 -0.49 1.03 6.31 1.10 -1.26 -5.12 121.20 121.83 1rfl s ILE 84 Ca 0.61 -0.05 -0.17 0.00 -0.51 0.00 0.00 60.65 60.54 1rfl s ILE 84 Cb -0.75 -0.73 0.10 0.00 0.15 0.00 0.00 42.46 41.23 1rfl s ILE 84 CO 0.58 -0.13 -0.03 -0.62 -2.11 0.00 0.00 174.94 172.64 1rfl n GLU 85 N 5.35 -1.70 -5.06 3.50 -0.58 -1.26 -5.00 120.64 115.88 1rfl n GLU 85 Ca -0.05 -0.50 -0.29 0.00 -0.42 0.00 0.00 57.16 55.91 1rfl n GLU 85 Cb 0.50 -1.47 -0.16 0.00 -0.57 0.00 0.00 31.44 29.74 1rfl n GLU 85 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1rfl s GLN 86 N -3.22 2.06 -0.62 3.49 0.00 -1.26 -4.76 119.66 115.35 1rfl s GLN 86 Ca 0.41 -0.77 -0.35 0.00 -0.00 0.00 0.00 55.36 54.66 1rfl s GLN 86 Cb -0.06 -1.82 -0.16 0.00 0.00 0.00 0.00 33.01 30.97 1rfl s GLN 86 CO 0.47 0.36 2.38 0.00 0.00 0.00 0.00 175.29 178.49 1rfl n ALA 87 N 2.90 0.56 -2.91 2.60 0.00 -1.26 -4.76 120.51 117.63 1rfl n ALA 87 Ca -0.17 -0.18 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1rfl n ALA 87 Cb 0.52 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 1rfl n ALA 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rfl n ASP 88 N 10.26 5.91 0.00 0.00 8.00 -1.25 -4.90 116.55 134.58 1rfl n ASP 88 Ca 0.52 -3.59 0.00 0.00 0.71 0.00 0.00 54.79 52.43 1rfl n ASP 88 Cb 0.14 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1rfl n ASP 88 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rfl n ARG 89 N 0.33 0.00 -4.01 -1.24 1.74 -1.26 -4.62 116.66 107.60 1rfl n ARG 89 Ca 0.36 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 57.14 1rfl n ARG 89 Cb 0.33 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.61 1rfl n ARG 89 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1rfl s VAL 90 N -0.05 1.55 -0.33 1.55 1.01 0.17 -3.36 120.40 120.95 1rfl s VAL 90 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1rfl s VAL 90 Cb 0.00 -1.51 0.11 0.00 0.00 0.00 0.00 36.38 34.98 1rfl s VAL 90 CO 0.00 0.38 0.12 -0.22 0.00 0.00 0.00 175.10 175.37 1rfl s LEU 91 N 1.48 2.43 -0.01 3.92 2.96 -1.25 -0.09 118.68 128.12 1rfl s LEU 91 Ca 0.03 -1.81 0.05 0.00 -0.22 0.00 0.00 54.13 52.19 1rfl s LEU 91 Cb -0.14 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 1rfl s LEU 91 CO -0.10 -0.39 -0.16 0.72 -1.32 0.00 0.00 176.35 175.10 1rfl s PHE 92 N 1.40 2.63 0.05 5.38 -0.12 -1.25 -4.29 117.98 121.77 1rfl s PHE 92 Ca 0.11 -0.21 -0.20 0.00 -0.05 0.00 0.00 56.93 56.58 1rfl s PHE 92 Cb -0.18 -1.56 -0.06 0.00 -0.63 0.00 0.00 43.02 40.59 1rfl s PHE 92 CO -0.20 0.20 0.59 -1.64 -0.05 0.00 0.00 175.22 174.12 1rfl s MET 93 N -1.03 4.27 0.00 1.99 -1.94 -1.26 -4.23 119.30 117.10 1rfl s MET 93 Ca 0.13 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 1rfl s MET 93 Cb -0.11 -3.28 0.01 0.00 2.01 0.00 0.00 34.83 33.46 1rfl s MET 93 CO 0.03 0.53 0.86 1.33 -0.01 0.00 0.00 175.02 177.75 1rfl n VAL 94 N 2.11 0.70 0.00 -6.03 0.24 -1.26 -4.86 118.33 109.23 1rfl n VAL 94 Ca -0.09 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 1rfl n VAL 94 Cb 0.51 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1rfl n VAL 94 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1rfl n ASP 95 N -0.32 0.00 0.00 -1.34 8.00 -1.26 -4.58 116.55 117.04 1rfl n ASP 95 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1rfl n ASP 95 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1rfl n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rfl n GLY 96 N 0.00 1.61 0.55 0.44 0.00 -1.26 -4.33 105.19 102.19 1rfl n GLY 96 Ca 0.00 0.16 0.37 0.00 0.00 0.00 0.00 46.02 46.55 1rfl n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rfl h THR 97 N 0.00 0.34 -0.99 2.61 1.03 -1.99 -3.41 112.91 110.50 1rfl h THR 97 Ca 0.00 -0.01 -0.82 0.00 -0.01 0.00 0.00 66.41 65.56 1rfl h THR 97 Cb 0.00 0.29 0.03 0.00 -1.07 0.00 0.00 68.15 67.40 1rfl h THR 97 CO 0.00 0.01 0.36 0.35 -0.01 0.00 0.00 175.52 176.23 1rfl n THR 98 N -4.21 0.00 -4.28 0.00 -2.24 -1.26 -4.94 114.28 97.35 1rfl n THR 98 Ca 0.29 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1rfl n THR 98 Cb 1.34 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 1rfl n THR 98 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rfl s THR 99 N 1.43 0.86 0.01 4.28 -1.32 -1.26 -4.94 115.64 114.71 1rfl s THR 99 Ca 0.97 -2.01 -0.29 0.00 -1.21 0.00 0.00 61.69 59.15 1rfl s THR 99 Cb -1.36 -2.21 0.11 0.00 -1.51 0.00 0.00 72.50 67.52 1rfl s THR 99 CO 0.68 -0.42 1.25 -1.81 -2.21 0.00 0.00 174.62 172.12 1rfl s ASP 100 N -3.23 -0.04 0.00 8.08 1.01 -1.26 -4.99 116.67 116.24 1rfl s ASP 100 Ca 0.26 -0.22 0.30 0.00 0.71 0.00 0.00 52.55 53.59 1rfl s ASP 100 Cb 0.06 0.20 1.42 0.00 1.01 0.00 0.00 42.92 45.61 1rfl s ASP 100 CO 0.06 -0.39 1.96 0.00 0.21 0.00 0.00 175.17 177.01 1rfl n ALA 101 N -0.65 2.67 0.40 5.23 0.00 -1.26 -2.96 120.51 123.95 1rfl n ALA 101 Ca -0.04 -0.30 0.10 0.00 0.00 0.00 0.00 53.44 53.21 1rfl n ALA 101 Cb 0.61 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 1rfl n ALA 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1rfl n VAL 102 N -0.61 0.00 0.02 0.00 0.31 -1.26 -3.64 118.33 113.15 1rfl n VAL 102 Ca 0.19 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 1rfl n VAL 102 Cb 0.24 0.42 -0.07 0.00 -0.91 0.00 0.00 33.84 33.52 1rfl n VAL 102 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1rfl h ASP 103 N 0.00 0.03 -0.04 4.52 1.82 -1.92 -3.18 116.42 117.65 1rfl h ASP 103 Ca 0.00 -0.09 -0.16 0.00 -0.39 0.00 0.00 57.03 56.39 1rfl h ASP 103 Cb 0.78 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.79 1rfl h ASP 103 CO 0.00 0.11 -0.59 1.55 -1.61 0.00 0.00 179.24 178.70 1rfl h PRO 104 N -0.06 0.47 -3.96 0.28 0.13 -1.76 -3.23 132.00 123.87 1rfl h PRO 104 Ca 0.01 -0.45 -0.53 0.00 -0.87 0.00 0.00 66.00 64.15 1rfl h PRO 104 Cb 0.09 0.12 0.03 0.00 0.13 0.00 0.00 31.00 31.37 1rfl h PRO 104 CO -0.00 1.10 2.52 0.00 -0.23 0.00 0.00 178.00 181.38 1rfl n ALA 105 N -2.58 4.14 0.00 -0.56 0.00 -1.20 -1.29 120.51 119.02 1rfl n ALA 105 Ca -0.10 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1rfl n ALA 105 Cb 0.66 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.77 1rfl n ALA 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rfl n GLU 106 N 5.64 0.00 -0.03 0.00 0.00 -1.25 -4.83 120.64 120.15 1rfl n GLU 106 Ca 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.56 1rfl n GLU 106 Cb 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.58 1rfl n GLU 106 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1rfl n ILE 107 N 0.00 1.54 0.23 6.31 -5.35 -0.87 -4.21 119.36 117.01 1rfl n ILE 107 Ca 0.00 -0.80 -0.15 0.00 -0.27 0.00 0.00 62.75 61.52 1rfl n ILE 107 Cb 0.00 -0.91 -0.08 0.00 -1.74 0.00 0.00 39.64 36.92 1rfl n ILE 107 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 1rfl h TRP 108 N 0.00 -0.87 0.00 4.28 -0.00 -1.47 -2.80 115.95 115.10 1rfl h TRP 108 Ca -0.33 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.19 1rfl h TRP 108 Cb 2.04 0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 31.52 1rfl h TRP 108 CO 0.00 -0.47 1.93 -0.35 -0.00 0.00 0.00 178.44 179.55 1rfl n PRO 109 N -5.44 2.30 0.00 0.49 -0.04 -1.26 -3.10 135.00 127.95 1rfl n PRO 109 Ca -0.10 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1rfl n PRO 109 Cb 0.34 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1rfl n PRO 109 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1rfl n GLU 110 N 3.46 0.00 -0.55 0.54 4.07 -1.05 -4.85 120.64 122.24 1rfl n GLU 110 Ca 0.49 0.00 0.45 0.00 -0.06 0.00 0.00 57.16 58.04 1rfl n GLU 110 Cb 0.36 -0.14 0.73 0.00 -0.06 0.00 0.00 31.44 32.33 1rfl n GLU 110 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1rfl h PHE 111 N 0.00 0.29 -1.14 4.31 3.04 -1.63 -2.95 116.94 118.86 1rfl h PHE 111 Ca 0.00 0.01 -0.69 0.00 3.98 0.00 0.00 57.97 61.27 1rfl h PHE 111 Cb 0.00 -0.07 -0.10 0.00 2.56 0.00 0.00 35.95 38.34 1rfl h PHE 111 CO 0.00 -0.14 2.03 -0.89 -2.02 0.00 0.00 178.31 177.29 1rfl n ILE 112 N -4.39 4.01 -3.57 1.41 -0.00 -1.26 -4.79 119.36 110.77 1rfl n ILE 112 Ca 0.41 -4.24 0.02 0.00 -0.00 0.00 0.00 62.75 58.94 1rfl n ILE 112 Cb 1.70 -2.38 -0.06 0.00 -0.00 0.00 0.00 39.64 38.91 1rfl n ILE 112 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rfl s ALA 113 N 3.62 -2.72 -0.73 -1.39 0.00 -1.12 -5.03 121.76 114.39 1rfl s ALA 113 Ca 0.51 1.98 -0.06 0.00 0.00 0.00 0.00 51.96 54.40 1rfl s ALA 113 Cb 0.03 -2.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.05 1rfl s ALA 113 CO 0.06 -0.44 2.33 2.89 0.00 0.00 0.00 175.76 180.60 1rfl n ARG 114 N 3.45 2.04 -3.87 0.00 1.85 -1.26 -4.75 116.66 114.12 1rfl n ARG 114 Ca -0.15 -1.30 -0.10 0.00 -1.00 0.00 0.00 57.85 55.30 1rfl n ARG 114 Cb 0.56 -2.30 -0.09 0.00 -1.05 0.00 0.00 32.46 29.58 1rfl n ARG 114 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1rfl s LEU 115 N 0.08 1.51 0.52 2.89 0.05 -1.26 -4.98 118.68 117.48 1rfl s LEU 115 Ca 0.44 -0.42 -0.18 0.00 0.05 0.00 0.00 54.13 54.02 1rfl s LEU 115 Cb 0.14 0.84 -0.07 0.00 -2.05 0.00 0.00 46.19 45.06 1rfl s LEU 115 CO -0.03 -0.54 1.04 -2.16 -0.55 0.00 0.00 176.35 174.11 1rfl s PRO 116 N -2.57 3.65 -0.44 1.48 0.04 -1.26 -4.88 135.00 131.02 1rfl s PRO 116 Ca -0.05 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.29 1rfl s PRO 116 Cb -0.01 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.60 1rfl s PRO 116 CO -0.04 -0.55 0.28 0.00 0.04 0.00 0.00 177.00 176.74 1rfl s ALA 117 N -2.18 1.89 0.11 8.56 0.00 -1.26 0.46 121.76 129.34 1rfl s ALA 117 Ca 0.65 -2.53 -0.31 0.00 0.00 0.00 0.00 51.96 49.77 1rfl s ALA 117 Cb -0.16 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1rfl s ALA 117 CO 0.26 -2.06 1.65 0.15 0.00 0.00 0.00 175.76 175.76 1rfl s LYS 118 N 0.25 4.19 -0.24 0.00 1.02 0.88 -3.26 119.74 122.58 1rfl s LYS 118 Ca 0.22 2.38 -0.06 0.00 0.02 0.00 0.00 55.97 58.52 1rfl s LYS 118 Cb -0.15 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 1rfl s LYS 118 CO -0.06 -0.71 0.04 -1.17 -0.92 0.00 0.00 175.35 172.54 1rfl s LEU 119 N 2.13 3.33 0.58 3.17 0.20 -0.92 -3.95 118.68 123.21 1rfl s LEU 119 Ca 0.73 -0.24 -0.16 0.00 0.69 0.00 0.00 54.13 55.16 1rfl s LEU 119 Cb -0.42 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 1rfl s LEU 119 CO 0.32 -0.02 1.05 -2.16 -0.29 0.00 0.00 176.35 175.25 1rfl s PRO 120 N 1.51 3.42 0.33 0.98 0.04 -1.26 -3.18 135.00 136.84 1rfl s PRO 120 Ca 0.06 1.17 0.10 0.00 0.04 0.00 0.00 61.00 62.37 1rfl s PRO 120 Cb -0.15 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1rfl s PRO 120 CO 0.02 -0.73 -0.09 0.42 0.04 0.00 0.00 177.00 176.67 1rfl s ILE 121 N -2.47 2.40 0.12 0.56 -1.09 0.85 -4.81 121.20 116.76 1rfl s ILE 121 Ca 0.63 -2.19 -0.08 0.00 -2.23 0.00 0.00 60.65 56.79 1rfl s ILE 121 Cb -0.15 -2.62 -0.06 0.00 -1.58 0.00 0.00 42.46 38.05 1rfl s ILE 121 CO 0.36 -0.24 0.40 -0.89 -1.23 0.00 0.00 174.94 173.33 1rfl s THR 122 N -2.56 5.12 -0.70 2.92 2.01 -1.26 -3.70 115.64 117.46 1rfl s THR 122 Ca 0.32 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.52 1rfl s THR 122 Cb 0.00 -3.63 -0.19 0.00 0.01 0.00 0.00 72.50 68.69 1rfl s THR 122 CO 0.17 0.16 3.34 0.52 -0.69 0.00 0.00 174.62 178.12 1rfl n VAL 123 N 0.48 3.56 0.00 3.82 0.31 -1.26 -4.89 118.33 120.35 1rfl n VAL 123 Ca -0.05 -1.96 0.00 0.00 -0.01 0.00 0.00 64.34 62.32 1rfl n VAL 123 Cb 0.52 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1rfl n VAL 123 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1rfl n VAL 124 N 2.97 0.00 0.00 2.52 0.31 -1.26 -4.68 118.33 118.18 1rfl n VAL 124 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.91 1rfl n VAL 124 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1rfl n VAL 124 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1rfl n ARG 125 N 0.00 0.00 -1.94 5.55 3.00 -1.26 -4.59 116.66 117.43 1rfl n ARG 125 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1rfl n ARG 125 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 1rfl n ARG 125 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1rfl n ASN 126 N 3.33 -0.15 -1.50 6.15 2.85 -1.26 -4.92 115.26 119.76 1rfl n ASN 126 Ca 0.00 -1.24 -0.05 0.00 -0.11 0.00 0.00 54.58 53.19 1rfl n ASN 126 Cb 0.00 0.29 0.02 0.00 1.24 0.00 0.00 39.78 41.33 1rfl n ASN 126 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1rfl n LYS 127 N -0.07 -1.81 -4.40 1.20 0.00 -1.26 -3.36 118.16 108.46 1rfl n LYS 127 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 58.31 58.16 1rfl n LYS 127 Cb 0.07 -3.36 -0.08 0.00 0.00 0.00 0.00 35.03 31.66 1rfl n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rfl n ALA 128 N -2.27 -1.55 -2.26 3.14 0.00 -1.26 -3.39 120.51 112.91 1rfl n ALA 128 Ca -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.09 1rfl n ALA 128 Cb 0.53 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1rfl n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rfl n ASP 129 N -2.67 -4.11 0.08 0.00 9.92 -1.21 -4.65 116.55 113.91 1rfl n ASP 129 Ca -0.07 1.30 0.18 0.00 -0.53 0.00 0.00 54.79 55.67 1rfl n ASP 129 Cb 0.56 -4.48 0.52 0.00 -0.64 0.00 0.00 41.12 37.08 1rfl n ASP 129 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1rfl h ILE 130 N 3.42 0.11 -0.09 0.53 6.09 -1.63 -2.86 117.51 123.08 1rfl h ILE 130 Ca -0.26 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.24 1rfl h ILE 130 Cb 0.58 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 1rfl h ILE 130 CO 0.00 0.00 -0.05 0.41 -3.07 0.00 0.00 178.15 175.44 1rfl n THR 131 N -3.17 -0.06 0.00 2.19 -1.04 -1.26 0.42 114.28 111.36 1rfl n THR 131 Ca 0.10 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 1rfl n THR 131 Cb 0.95 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1rfl n THR 131 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rfl n GLY 132 N -1.02 -2.52 0.35 3.41 0.00 -1.08 0.59 105.19 104.91 1rfl n GLY 132 Ca 0.00 0.54 0.07 0.00 0.00 0.00 0.00 46.02 46.63 1rfl n GLY 132 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rfl n GLU 133 N -0.69 -0.09 -0.08 1.61 4.07 -0.48 0.08 120.64 125.06 1rfl n GLU 133 Ca 0.00 1.50 -0.13 0.00 -0.06 0.00 0.00 57.16 58.47 1rfl n GLU 133 Cb 0.00 -2.26 -0.08 0.00 -0.06 0.00 0.00 31.44 29.04 1rfl n GLU 133 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1rfl h THR 134 N 0.00 0.04 -0.30 6.31 2.02 0.13 -0.81 112.91 120.30 1rfl h THR 134 Ca 0.47 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.71 1rfl h THR 134 Cb 0.75 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1rfl h THR 134 CO -0.99 0.00 -0.46 0.25 0.37 0.00 0.00 175.52 174.69 1rfl h LEU 135 N -0.45 -1.51 -0.92 2.58 6.46 0.42 -1.01 115.31 120.88 1rfl h LEU 135 Ca 0.08 0.21 0.15 0.00 -0.12 0.00 0.00 57.88 58.19 1rfl h LEU 135 Cb 0.63 0.63 -0.15 0.00 -0.73 0.00 0.00 40.66 41.03 1rfl h LEU 135 CO -0.53 -0.41 -0.37 1.23 -0.62 0.00 0.00 178.44 177.74 1rfl h GLY 136 N -0.42 0.07 -7.47 3.75 0.00 -0.44 -3.35 103.07 95.21 1rfl h GLY 136 Ca 0.10 0.50 -0.45 0.00 0.00 0.00 0.00 47.33 47.47 1rfl h GLY 136 CO -0.51 -0.21 1.61 1.03 0.00 0.00 0.00 176.54 178.46 1rfl n MET 137 N -5.47 0.80 -2.70 4.80 2.81 -0.39 -4.63 117.12 112.35 1rfl n MET 137 Ca 0.09 -0.04 -0.07 0.00 -1.81 0.00 0.00 57.70 55.88 1rfl n MET 137 Cb 0.40 -3.05 0.10 0.00 -0.71 0.00 0.00 33.22 29.96 1rfl n MET 137 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1rfl n SER 138 N 14.88 -1.88 -0.42 7.83 2.88 -1.26 -4.94 113.62 130.71 1rfl n SER 138 Ca 0.44 -2.53 0.07 0.00 -1.33 0.00 0.00 58.87 55.51 1rfl n SER 138 Cb 0.44 1.13 0.25 0.00 -0.75 0.00 0.00 64.21 65.28 1rfl n SER 138 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1rfl n GLU 139 N -0.46 1.54 -3.65 -1.46 0.28 -1.26 -4.81 120.64 110.81 1rfl n GLU 139 Ca -0.04 -0.82 -0.15 0.00 -0.16 0.00 0.00 57.16 55.98 1rfl n GLU 139 Cb 0.81 -1.27 -0.08 0.00 1.43 0.00 0.00 31.44 32.34 1rfl n GLU 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1rfl s VAL 140 N -1.75 0.02 -0.92 3.84 0.11 -1.26 -5.00 120.40 115.43 1rfl s VAL 140 Ca 0.23 -0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.85 1rfl s VAL 140 Cb 0.12 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 1rfl s VAL 140 CO 0.17 -0.10 1.93 0.20 -3.33 0.00 0.00 175.10 173.97 1rfl s ASN 141 N -0.89 5.19 0.23 3.54 0.01 -1.26 -4.93 114.94 116.83 1rfl s ASN 141 Ca -0.09 -0.76 -0.30 0.00 -0.71 0.00 0.00 52.86 51.00 1rfl s ASN 141 Cb -0.03 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 38.97 1rfl s ASN 141 CO 0.06 -2.72 1.42 -0.83 -1.51 0.00 0.00 177.10 173.53 1rfl s GLY 142 N 7.84 2.27 0.10 0.66 0.00 -1.26 -4.54 107.32 112.38 1rfl s GLY 142 Ca 0.69 1.28 -0.17 0.00 0.00 0.00 0.00 44.72 46.53 1rfl s GLY 142 CO -0.00 2.28 1.50 0.84 0.00 0.00 0.00 173.10 177.71 1rfl h HIS 143 N 5.31 0.63 -2.00 1.90 2.76 -1.91 -3.47 115.15 118.38 1rfl h HIS 143 Ca -0.45 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 57.56 1rfl h HIS 143 Cb 1.22 -0.16 -0.19 0.00 1.55 0.00 0.00 27.41 29.83 1rfl h HIS 143 CO 0.61 0.74 0.26 0.00 -1.30 0.00 0.00 177.93 178.25 1rfl s ALA 144 N -4.82 -1.79 -0.20 5.26 0.00 -1.26 -5.03 121.76 113.93 1rfl s ALA 144 Ca -0.13 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 1rfl s ALA 144 Cb 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1rfl s ALA 144 CO 0.78 -0.40 -0.10 -0.51 0.00 0.00 0.00 175.76 175.53 1rfl s LEU 145 N -1.32 2.64 -0.07 0.00 1.43 -1.26 -2.17 118.68 117.94 1rfl s LEU 145 Ca -0.08 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 1rfl s LEU 145 Cb -0.00 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1rfl s LEU 145 CO 0.06 -0.00 0.17 0.27 0.23 0.00 0.00 176.35 177.09 1rfl s ILE 146 N 1.34 -0.00 -0.14 -0.59 -4.36 -1.19 -4.92 121.20 111.34 1rfl s ILE 146 Ca 0.04 0.01 -0.05 0.00 -0.26 0.00 0.00 60.65 60.39 1rfl s ILE 146 Cb -0.14 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.28 1rfl s ILE 146 CO -0.06 0.00 0.04 0.00 0.24 0.00 0.00 174.94 175.17 1rfl s ARG 147 N 0.14 3.54 0.33 0.37 1.70 -1.26 -0.10 118.95 123.68 1rfl s ARG 147 Ca -0.00 -0.36 -0.09 0.00 -0.47 0.00 0.00 55.73 54.80 1rfl s ARG 147 Cb -0.02 -3.03 0.02 0.00 -0.57 0.00 0.00 34.95 31.35 1rfl s ARG 147 CO -0.00 0.48 0.57 -0.48 -1.08 0.00 0.00 175.30 174.78 1rfl s LEU 148 N -0.22 0.54 0.00 -1.89 0.05 -1.24 -3.98 118.68 111.93 1rfl s LEU 148 Ca 0.07 -1.23 0.02 0.00 0.05 0.00 0.00 54.13 53.03 1rfl s LEU 148 Cb -0.12 1.94 -0.01 0.00 -2.05 0.00 0.00 46.19 45.95 1rfl s LEU 148 CO 0.02 -1.36 0.06 -0.24 -0.55 0.00 0.00 176.35 174.27 1rfl n SER 149 N -1.13 2.25 -0.06 1.48 2.88 -1.26 -4.86 113.62 112.93 1rfl n SER 149 Ca -0.02 -2.88 -0.04 0.00 -1.33 0.00 0.00 58.87 54.60 1rfl n SER 149 Cb 0.61 0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 64.64 1rfl n SER 149 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rfl h ALA 150 N 1.39 0.00 0.01 -1.46 0.00 -1.96 -3.36 119.26 113.88 1rfl h ALA 150 Ca -0.32 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 1rfl h ALA 150 Cb 1.07 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1rfl h ALA 150 CO 0.52 0.40 -0.00 -0.09 0.00 0.00 0.00 179.25 180.08 1rfl h ARG 151 N -0.81 -0.01 -4.25 0.00 2.43 -1.99 -3.35 114.38 106.41 1rfl h ARG 151 Ca 0.00 0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 58.41 1rfl h ARG 151 Cb 0.40 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.75 1rfl h ARG 151 CO 0.00 -0.01 1.24 0.25 -1.51 0.00 0.00 179.97 179.95 1rfl n THR 152 N -2.04 4.39 -1.52 0.20 -2.24 -1.26 -4.95 114.28 106.86 1rfl n THR 152 Ca -0.00 -4.88 -0.15 0.00 -2.27 0.00 0.00 64.05 56.75 1rfl n THR 152 Cb 0.00 -2.46 -0.11 0.00 -2.10 0.00 0.00 70.33 65.66 1rfl n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rfl n GLY 153 N 3.49 -0.27 0.24 3.38 0.00 -1.26 -4.05 105.19 106.72 1rfl n GLY 153 Ca 0.34 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.54 1rfl n GLY 153 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rfl h GLU 154 N 11.92 0.49 -2.10 1.61 5.08 -1.86 -3.21 114.58 126.51 1rfl h GLU 154 Ca 0.01 -0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.82 1rfl h GLU 154 Cb 1.03 -0.11 -0.41 0.00 0.50 0.00 0.00 28.75 29.77 1rfl h GLU 154 CO 1.17 0.33 -1.00 0.41 -1.00 0.00 0.00 179.01 178.91 1rfl n GLY 155 N -1.29 4.30 0.52 -3.84 0.00 -1.26 -4.82 105.19 98.80 1rfl n GLY 155 Ca 0.09 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.16 1rfl n GLY 155 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1rfl n VAL 156 N 0.12 0.00 -0.09 1.61 3.14 -1.22 -3.89 118.33 118.01 1rfl n VAL 156 Ca 0.27 -0.27 -0.22 0.00 -2.96 0.00 0.00 64.34 61.16 1rfl n VAL 156 Cb 0.56 0.86 -0.12 0.00 -1.06 0.00 0.00 33.84 34.08 1rfl n VAL 156 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1rfl n ASP 157 N 0.13 1.91 0.31 6.55 10.43 -1.26 -3.09 116.55 131.53 1rfl n ASP 157 Ca 0.14 0.37 0.21 0.00 2.57 0.00 0.00 54.79 58.08 1rfl n ASP 157 Cb 0.43 -0.93 1.10 0.00 1.84 0.00 0.00 41.12 43.56 1rfl n ASP 157 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1rfl h VAL 158 N -0.82 0.00 0.14 2.53 2.07 -1.95 -0.65 116.25 117.57 1rfl h VAL 158 Ca -0.39 -0.04 -0.23 0.00 0.82 0.00 0.00 66.70 66.86 1rfl h VAL 158 Cb 1.45 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1rfl h VAL 158 CO -0.18 0.00 -1.08 0.25 0.02 0.00 0.00 177.57 176.58 1rfl h LEU 159 N 0.00 0.45 0.20 2.57 5.85 -1.69 -3.22 115.31 119.48 1rfl h LEU 159 Ca 0.00 -0.91 -0.01 0.00 0.84 0.00 0.00 57.88 57.80 1rfl h LEU 159 Cb 0.04 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1rfl h LEU 159 CO 0.00 1.50 -0.10 -0.09 -0.34 0.00 0.00 178.44 179.41 1rfl h ARG 160 N -0.33 -0.26 -0.18 1.25 2.43 -1.11 -2.47 114.38 113.71 1rfl h ARG 160 Ca -0.21 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1rfl h ARG 160 Cb 1.71 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 31.28 1rfl h ARG 160 CO 0.12 -0.17 -0.26 -0.91 -1.51 0.00 0.00 179.97 177.24 1rfl h ASN 161 N -0.28 -0.87 -1.00 -3.80 2.35 -1.34 0.23 115.58 110.88 1rfl h ASN 161 Ca -0.03 0.11 0.33 0.00 -0.55 0.00 0.00 56.30 56.17 1rfl h ASN 161 Cb 0.21 0.35 -0.18 0.00 0.05 0.00 0.00 38.32 38.76 1rfl h ASN 161 CO 0.05 -0.19 0.25 0.45 -1.65 0.00 0.00 177.43 176.33 1rfl h HIS 162 N -0.19 0.33 -0.56 1.19 3.86 -1.55 1.35 115.15 119.58 1rfl h HIS 162 Ca 0.03 0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.41 1rfl h HIS 162 Cb 0.28 0.02 -0.10 0.00 1.06 0.00 0.00 27.41 28.67 1rfl h HIS 162 CO -0.65 -0.45 -0.13 1.25 0.86 0.00 0.00 177.93 178.82 1rfl h LEU 163 N 0.01 -0.49 -4.98 2.43 7.12 -0.07 -0.21 115.31 119.12 1rfl h LEU 163 Ca 0.71 0.16 -0.58 0.00 0.13 0.00 0.00 57.88 58.30 1rfl h LEU 163 Cb 1.66 0.34 -0.12 0.00 -0.53 0.00 0.00 40.66 42.01 1rfl h LEU 163 CO -0.86 -0.18 1.55 2.29 -0.13 0.00 0.00 178.44 181.12 1rfl n LYS 164 N -5.38 3.42 0.09 1.25 2.85 0.46 -3.69 118.16 117.16 1rfl n LYS 164 Ca 0.06 -2.63 0.00 0.00 -1.05 0.00 0.00 58.31 54.69 1rfl n LYS 164 Cb 0.30 -2.41 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 1rfl n LYS 164 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1rfl n GLN 165 N 1.74 0.00 -0.57 -1.58 -0.06 -0.11 -4.87 117.38 111.93 1rfl n GLN 165 Ca 0.57 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.60 1rfl n GLN 165 Cb 0.43 0.00 0.23 0.00 -4.06 0.00 0.00 30.24 26.84 1rfl n GLN 165 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1rfl n SER 166 N -2.95 3.84 0.07 1.69 2.88 -1.06 -4.10 113.62 114.00 1rfl n SER 166 Ca 0.00 -2.60 -0.10 0.00 -1.33 0.00 0.00 58.87 54.83 1rfl n SER 166 Cb 0.00 -0.62 -0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1rfl n SER 166 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rfl h MET 167 N 2.26 0.33 -3.38 -1.46 -0.00 -1.83 -3.47 114.93 107.38 1rfl h MET 167 Ca 0.04 -0.32 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 1rfl h MET 167 Cb 1.47 0.08 0.00 0.00 -0.00 0.00 0.00 31.60 33.15 1rfl h MET 167 CO 0.33 1.00 -0.81 0.41 -0.00 0.00 0.00 176.91 177.85 1rfl n GLY 168 N 0.78 -4.63 3.68 -3.00 0.00 -1.26 -4.26 105.19 96.50 1rfl n GLY 168 Ca -0.05 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1rfl n GLY 168 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rfl s ILE 169 N -2.53 3.27 -0.01 -0.61 -4.36 -1.26 -4.08 121.20 111.61 1rfl s ILE 169 Ca 0.00 0.60 -0.30 0.00 -0.26 0.00 0.00 60.65 60.69 1rfl s ILE 169 Cb 0.00 -3.39 0.12 0.00 1.25 0.00 0.00 42.46 40.44 1rfl s ILE 169 CO 0.00 -0.02 1.28 -2.28 0.24 0.00 0.00 174.94 174.16 1rfl s HIS 170 N 3.06 -0.04 0.00 1.37 2.46 -1.25 -4.97 115.29 115.90 1rfl s HIS 170 Ca 0.73 -0.06 0.00 0.00 0.47 0.00 0.00 55.06 56.20 1rfl s HIS 170 Cb -0.37 0.55 0.00 0.00 -0.13 0.00 0.00 32.58 32.63 1rfl s HIS 170 CO 0.31 -0.28 0.00 -2.13 -2.47 0.00 0.00 174.74 170.17 1rfl n ARG 171 N -0.49 0.00 -0.04 2.88 0.00 -1.26 -3.19 116.66 114.56 1rfl n ARG 171 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1rfl n ARG 171 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 1rfl n ARG 171 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38