#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfl s SER 2 N 0.00 2.62 -0.04 1.61 0.15 -1.26 -5.02 113.70 111.76 1rfl s SER 2 Ca 0.00 -0.65 0.06 0.00 0.70 0.00 0.00 55.95 56.06 1rfl s SER 2 Cb 0.00 -0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.24 1rfl s SER 2 CO 0.00 0.10 0.98 0.00 1.20 0.00 0.00 173.24 175.52 1rfl n LEU 3 N 1.26 0.96 -4.28 3.45 -0.00 -1.26 -5.05 117.00 112.08 1rfl n LEU 3 Ca -0.19 -1.64 -0.25 0.00 -0.00 0.00 0.00 56.01 53.94 1rfl n LEU 3 Cb 0.53 -0.14 -0.13 0.00 -0.00 0.00 0.00 43.42 43.68 1rfl n LEU 3 CO 0.23 0.39 -0.52 -0.76 -0.00 0.00 0.00 177.39 176.72 1rfl s LEU 4 N -1.03 2.26 0.29 1.47 1.43 -1.26 -5.15 118.68 116.69 1rfl s LEU 4 Ca 0.10 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1rfl s LEU 4 Cb 0.09 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1rfl s LEU 4 CO 0.01 0.10 0.12 -0.13 0.23 0.00 0.00 176.35 176.68 1rfl s ARG 5 N -1.69 2.50 -0.11 1.70 0.52 -1.26 -5.10 118.95 115.51 1rfl s ARG 5 Ca 0.07 -1.37 -0.04 0.00 -0.52 0.00 0.00 55.73 53.87 1rfl s ARG 5 Cb -0.10 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1rfl s ARG 5 CO 0.04 0.26 0.06 -1.21 0.02 0.00 0.00 175.30 174.47 1rfl s GLU 6 N -3.80 3.25 -0.30 3.54 0.41 -1.26 -3.36 118.70 117.18 1rfl s GLU 6 Ca 0.35 -0.29 -0.12 0.00 -0.41 0.00 0.00 54.97 54.49 1rfl s GLU 6 Cb -0.05 -2.98 0.14 0.00 -1.78 0.00 0.00 34.13 29.46 1rfl s GLU 6 CO 0.23 0.70 0.79 0.20 -0.49 0.00 0.00 175.26 176.68 1rfl s GLY 7 N -0.83 -0.51 0.00 -1.39 0.00 -0.87 -4.88 107.32 98.83 1rfl s GLY 7 Ca 0.13 2.63 0.00 0.00 0.00 0.00 0.00 44.72 47.48 1rfl s GLY 7 CO 0.03 3.13 0.00 1.03 0.00 0.00 0.00 173.10 177.29 1rfl n MET 8 N 5.25 0.00 -4.28 2.90 2.81 -1.26 -4.37 117.12 118.17 1rfl n MET 8 Ca -0.11 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.56 1rfl n MET 8 Cb 0.50 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.89 1rfl n MET 8 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1rfl s LYS 9 N -0.94 1.12 -0.27 0.03 2.47 -1.26 -5.01 119.74 115.87 1rfl s LYS 9 Ca 0.00 -1.21 -0.00 0.00 -1.56 0.00 0.00 55.97 53.20 1rfl s LYS 9 Cb 0.00 -1.28 0.14 0.00 -1.46 0.00 0.00 37.83 35.23 1rfl s LYS 9 CO 0.00 0.28 0.34 0.14 0.16 0.00 0.00 175.35 176.28 1rfl s VAL 10 N -1.48 -0.52 0.35 4.02 -7.23 -1.26 -2.42 120.40 111.87 1rfl s VAL 10 Ca 0.08 -0.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.80 1rfl s VAL 10 Cb -0.08 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 1rfl s VAL 10 CO 0.05 -0.31 0.76 0.54 -0.31 0.00 0.00 175.10 175.83 1rfl s VAL 11 N 2.46 4.68 -0.45 1.32 0.11 -0.94 -4.95 120.40 122.62 1rfl s VAL 11 Ca 0.10 0.93 0.02 0.00 -2.93 0.00 0.00 61.98 60.10 1rfl s VAL 11 Cb -0.14 -3.63 0.14 0.00 -1.53 0.00 0.00 36.38 31.22 1rfl s VAL 11 CO -0.27 -0.27 0.26 -0.63 -3.33 0.00 0.00 175.10 170.86 1rfl s ILE 12 N -2.09 1.41 0.63 7.04 1.01 -1.26 -0.92 121.20 127.03 1rfl s ILE 12 Ca 0.54 -2.65 -0.05 0.00 0.00 0.00 0.00 60.65 58.49 1rfl s ILE 12 Cb -0.10 -1.98 0.13 0.00 0.01 0.00 0.00 42.46 40.52 1rfl s ILE 12 CO 0.20 -0.92 0.87 0.00 0.00 0.00 0.00 174.94 175.08 1rfl n ALA 13 N 3.42 -0.34 0.00 9.38 0.00 -0.18 -4.95 120.51 127.84 1rfl n ALA 13 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1rfl n ALA 13 Cb 0.35 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1rfl n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rfl n GLY 14 N -1.22 4.31 3.59 0.00 0.00 -1.26 -3.45 105.19 107.16 1rfl n GLY 14 Ca 0.13 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.89 -0.23 -2.46 1.61 1.85 -1.26 -4.92 116.66 109.36 1rfl n ARG 15 Ca 0.00 -0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.42 1rfl n ARG 15 Cb 0.00 -2.22 -0.03 0.00 -1.05 0.00 0.00 32.46 29.17 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 -4.14 4.42 -0.24 2.89 0.04 -1.26 -4.21 135.00 132.51 1rfl s PRO 16 Ca 0.65 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1rfl s PRO 16 Cb -0.25 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.89 1rfl s PRO 16 CO 0.59 -0.29 0.23 0.09 0.04 0.00 0.00 177.00 177.66 1rfl n ASN 17 N 4.26 -5.76 0.18 6.66 3.02 -1.26 -5.00 115.26 117.36 1rfl n ASN 17 Ca 0.09 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1rfl n ASN 17 Cb 0.47 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 1rfl n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rfl n ALA 18 N -0.06 0.27 0.00 5.41 0.00 -1.26 -5.03 120.51 119.84 1rfl n ALA 18 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1rfl n ALA 18 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.23 -1.82 0.00 0.00 0.00 -1.26 -4.82 105.19 96.06 1rfl n GLY 19 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1rfl n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rfl n LYS 20 N 0.00 0.00 -0.26 1.61 5.02 -1.26 -4.47 118.16 118.80 1rfl n LYS 20 Ca 0.00 0.00 0.30 0.00 -2.02 0.00 0.00 58.31 56.59 1rfl n LYS 20 Cb 0.00 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 35.71 1rfl n LYS 20 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1rfl h SER 21 N 0.00 0.08 -0.61 4.39 0.02 -1.96 0.45 113.55 115.92 1rfl h SER 21 Ca 0.00 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1rfl h SER 21 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1rfl h SER 21 CO 0.00 0.02 0.34 -1.28 -1.14 0.00 0.00 176.83 174.76 1rfl h SER 22 N 0.07 0.50 -0.30 3.07 0.87 -1.94 -1.86 113.55 113.95 1rfl h SER 22 Ca 0.51 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.99 1rfl h SER 22 Cb 1.89 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1rfl h SER 22 CO -0.05 0.33 -0.21 0.25 -0.53 0.00 0.00 176.83 176.62 1rfl h LEU 23 N 0.63 0.71 -0.71 2.23 5.85 -0.35 -3.16 115.31 120.52 1rfl h LEU 23 Ca 0.27 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1rfl h LEU 23 Cb 0.15 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 40.86 1rfl h LEU 23 CO -0.17 0.99 -0.40 0.25 -0.34 0.00 0.00 178.44 178.78 1rfl h LEU 24 N 0.43 -1.42 0.00 2.25 6.46 -0.62 0.50 115.31 122.91 1rfl h LEU 24 Ca 0.06 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1rfl h LEU 24 Cb 0.76 0.68 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1rfl h LEU 24 CO 0.06 -0.31 0.00 0.59 -0.62 0.00 0.00 178.44 178.16 1rfl n ASN 25 N -5.42 0.00 -0.26 1.25 4.13 -0.82 0.66 115.26 114.80 1rfl n ASN 25 Ca 0.04 0.97 0.02 0.00 1.68 0.00 0.00 54.58 57.30 1rfl n ASN 25 Cb 0.36 -0.47 0.10 0.00 -1.54 0.00 0.00 39.78 38.22 1rfl n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rfl h ALA 26 N -1.25 0.54 -0.20 5.41 0.00 -1.35 0.48 119.26 122.89 1rfl h ALA 26 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1rfl h ALA 26 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rfl h ALA 26 CO 0.00 -0.41 0.00 -0.11 0.00 0.00 0.00 179.25 178.73 1rfl n LEU 27 N -5.49 0.00 -0.18 0.00 7.94 0.17 -2.31 117.00 117.13 1rfl n LEU 27 Ca 0.11 0.97 -0.10 0.00 -1.11 0.00 0.00 56.01 55.88 1rfl n LEU 27 Cb 0.40 -0.47 -0.05 0.00 0.53 0.00 0.00 43.42 43.83 1rfl n LEU 27 CO -0.01 -0.47 0.56 0.00 -1.11 0.00 0.00 177.39 176.36 1rfl h ALA 28 N -1.48 -0.44 -6.12 1.96 0.00 0.12 -3.46 119.26 109.83 1rfl h ALA 28 Ca 0.00 0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 1rfl h ALA 28 Cb 0.00 0.99 0.07 0.00 0.00 0.00 0.00 17.79 18.85 1rfl h ALA 28 CO 0.00 -0.88 -0.82 0.41 0.00 0.00 0.00 179.25 177.96 1rfl n GLY 29 N -1.40 -1.08 2.26 0.00 0.00 0.16 -4.92 105.19 100.21 1rfl n GLY 29 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 1rfl n GLY 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rfl n ARG 30 N -3.59 2.73 -1.21 1.61 0.63 -1.26 -5.11 116.66 110.46 1rfl n ARG 30 Ca -0.11 -3.83 0.14 0.00 -0.92 0.00 0.00 57.85 53.13 1rfl n ARG 30 Cb 0.59 -1.94 -0.05 0.00 0.45 0.00 0.00 32.46 31.51 1rfl n ARG 30 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1rfl n GLU 31 N -0.65 -2.33 -3.38 -0.14 1.02 -1.26 -4.88 120.64 109.02 1rfl n GLU 31 Ca 0.28 1.75 -0.31 0.00 -0.02 0.00 0.00 57.16 58.86 1rfl n GLU 31 Cb 0.90 -2.92 0.03 0.00 -0.02 0.00 0.00 31.44 29.43 1rfl n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rfl n ALA 32 N -3.02 -2.37 -1.81 0.62 0.00 -1.26 -4.73 120.51 107.94 1rfl n ALA 32 Ca -0.03 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 1rfl n ALA 32 Cb 0.63 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 1rfl n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfl s ALA 33 N -1.56 3.50 -0.23 0.00 0.00 -1.26 -4.96 121.76 117.25 1rfl s ALA 33 Ca 0.33 1.08 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 1rfl s ALA 33 Cb -0.04 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1rfl s ALA 33 CO 0.77 -1.64 0.10 0.42 0.00 0.00 0.00 175.76 175.41 1rfl s ILE 34 N 4.69 4.75 -0.00 0.00 1.01 -1.26 -5.08 121.20 125.31 1rfl s ILE 34 Ca 0.83 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.49 1rfl s ILE 34 Cb -0.37 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1rfl s ILE 34 CO 0.36 0.37 -0.12 -0.69 0.00 0.00 0.00 174.94 174.86 1rfl s VAL 35 N 1.15 0.94 0.05 2.92 1.01 -1.26 -4.95 120.40 120.26 1rfl s VAL 35 Ca 0.05 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1rfl s VAL 35 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1rfl s VAL 35 CO 0.04 0.21 -0.07 0.42 0.00 0.00 0.00 175.10 175.70 1rfl s THR 36 N -0.37 0.53 -0.86 3.92 -4.23 -1.26 -5.09 115.64 108.27 1rfl s THR 36 Ca 0.04 -1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1rfl s THR 36 Cb -0.05 -0.76 0.23 0.00 1.34 0.00 0.00 72.50 73.26 1rfl s THR 36 CO -0.00 -0.47 0.81 0.47 -0.54 0.00 0.00 174.62 174.89 1rfl n ASP 37 N 1.23 4.21 -4.57 3.99 10.43 -1.26 -5.07 116.55 125.51 1rfl n ASP 37 Ca -0.21 -3.21 -0.32 0.00 2.57 0.00 0.00 54.79 53.62 1rfl n ASP 37 Cb 0.56 -0.99 0.15 0.00 1.84 0.00 0.00 41.12 42.67 1rfl n ASP 37 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1rfl n ILE 38 N 1.99 0.16 0.03 0.53 2.08 -1.26 -4.98 119.36 117.90 1rfl n ILE 38 Ca 0.23 -0.09 -0.00 0.00 0.56 0.00 0.00 62.75 63.44 1rfl n ILE 38 Cb 0.37 -0.86 -0.00 0.00 -0.75 0.00 0.00 39.64 38.40 1rfl n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rfl n ALA 39 N -3.91 2.94 -1.83 -1.39 0.00 -1.26 -4.81 120.51 110.25 1rfl n ALA 39 Ca 0.10 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1rfl n ALA 39 Cb 0.52 0.15 0.01 0.00 0.00 0.00 0.00 19.45 20.14 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 3.45 5.23 7.00 0.00 0.00 -1.26 -5.03 105.19 114.58 1rfl n GLY 40 Ca -0.00 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.13 0.00 -4.40 2.61 -2.24 -1.26 -4.76 114.28 104.10 1rfl n THR 41 Ca 0.53 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.08 1rfl n THR 41 Cb 0.32 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.00 1.42 0.18 4.28 -4.23 -1.26 -5.02 115.64 111.00 1rfl s THR 42 Ca 0.00 -1.23 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1rfl s THR 42 Cb 0.00 -1.28 0.09 0.00 1.34 0.00 0.00 72.50 72.65 1rfl s THR 42 CO 0.00 0.02 1.75 0.03 -0.54 0.00 0.00 174.62 175.88 1rfl h ARG 43 N 4.62 0.91 -0.01 3.99 3.08 -1.97 -0.77 114.38 124.22 1rfl h ARG 43 Ca -0.42 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1rfl h ARG 43 Cb 1.18 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1rfl h ARG 43 CO 0.42 0.74 -0.01 -0.25 -1.07 0.00 0.00 179.97 179.80 1rfl n ASP 44 N -4.48 0.56 -2.91 7.04 8.00 -1.26 -4.23 116.55 119.26 1rfl n ASP 44 Ca 0.04 -1.10 -0.15 0.00 0.71 0.00 0.00 54.79 54.29 1rfl n ASP 44 Cb 0.14 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.61 -0.55 -3.66 2.53 3.14 -0.30 -4.29 118.33 114.60 1rfl n VAL 45 Ca 0.21 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.21 1rfl n VAL 45 Cb 0.21 -1.26 -0.10 0.00 -1.06 0.00 0.00 33.84 31.64 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 -5.87 5.48 0.00 6.55 2.96 -1.26 -4.80 118.68 121.74 1rfl s LEU 46 Ca 0.19 -2.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 1rfl s LEU 46 Cb -0.10 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1rfl s LEU 46 CO 0.24 -0.60 0.57 -1.14 -1.32 0.00 0.00 176.35 174.10 1rfl n ARG 47 N 4.67 0.56 -0.40 1.98 0.00 -1.26 -4.65 116.66 117.55 1rfl n ARG 47 Ca -0.04 -0.73 0.06 0.00 -0.00 0.00 0.00 57.85 57.14 1rfl n ARG 47 Cb 0.41 -0.85 0.23 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 -0.16 2.77 -0.42 -0.14 4.71 -1.26 -5.03 120.64 121.11 1rfl n GLU 48 Ca 0.00 -1.79 0.06 0.00 -0.01 0.00 0.00 57.16 55.42 1rfl n GLU 48 Cb 0.19 -1.69 -0.01 0.00 -1.01 0.00 0.00 31.44 28.92 1rfl n GLU 48 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1rfl n HIS 49 N 0.59 -2.27 -4.36 -0.32 8.25 -1.26 -4.92 115.22 110.93 1rfl n HIS 49 Ca 0.16 0.53 -0.18 0.00 -0.26 0.00 0.00 57.72 57.97 1rfl n HIS 49 Cb 0.62 -0.91 -0.10 0.00 1.12 0.00 0.00 29.99 30.72 1rfl n HIS 49 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1rfl s ILE 50 N -0.91 1.11 -0.30 1.59 -0.00 -1.26 -5.05 121.20 116.38 1rfl s ILE 50 Ca 0.00 -2.04 -0.07 0.00 -0.00 0.00 0.00 60.65 58.54 1rfl s ILE 50 Cb 0.00 -2.42 0.19 0.00 -0.00 0.00 0.00 42.46 40.22 1rfl s ILE 50 CO 0.00 -0.27 0.92 -2.28 -0.00 0.00 0.00 174.94 173.31 1rfl s HIS 51 N -3.37 -0.86 -0.88 1.37 2.46 -1.26 -4.97 115.29 107.78 1rfl s HIS 51 Ca 0.30 0.59 -0.11 0.00 0.47 0.00 0.00 55.06 56.31 1rfl s HIS 51 Cb 0.06 0.18 0.23 0.00 -0.13 0.00 0.00 32.58 32.92 1rfl s HIS 51 CO 0.10 -0.49 0.82 0.42 -2.47 0.00 0.00 174.74 173.12 1rfl s ILE 52 N 2.92 5.47 0.27 0.89 1.09 -1.26 -4.91 121.20 125.67 1rfl s ILE 52 Ca 0.18 -2.82 -0.09 0.00 -1.10 0.00 0.00 60.65 56.82 1rfl s ILE 52 Cb -0.06 -4.36 0.43 0.00 -1.06 0.00 0.00 42.46 37.40 1rfl s ILE 52 CO -0.21 -1.06 1.57 -2.24 -0.10 0.00 0.00 174.94 172.90 1rfl h ASP 53 N 7.35 -0.87 0.00 3.58 2.03 -1.98 -2.92 116.42 123.60 1rfl h ASP 53 Ca 0.12 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1rfl h ASP 53 Cb 0.98 0.59 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1rfl h ASP 53 CO 0.81 -0.31 0.00 0.61 -1.03 0.00 0.00 179.24 179.32 1rfl n GLY 54 N -1.60 -0.67 3.05 7.15 0.00 -1.26 -4.75 105.19 107.11 1rfl n GLY 54 Ca 0.15 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1rfl n GLY 54 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rfl s MET 55 N -0.04 1.54 -1.04 1.61 1.75 -1.10 -5.03 119.30 116.98 1rfl s MET 55 Ca 0.00 -0.44 -0.07 0.00 -1.25 0.00 0.00 55.69 53.93 1rfl s MET 55 Cb 0.00 -1.32 -0.09 0.00 2.84 0.00 0.00 34.83 36.26 1rfl s MET 55 CO 0.00 0.11 2.52 -0.35 -0.65 0.00 0.00 175.02 176.65 1rfl n PRO 56 N 3.49 2.59 -2.79 4.11 -0.04 -1.25 -3.95 135.00 137.16 1rfl n PRO 56 Ca -0.20 -1.62 -0.02 0.00 -0.04 0.00 0.00 63.50 61.62 1rfl n PRO 56 Cb 0.53 -2.49 0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1rfl n PRO 56 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1rfl n LEU 57 N 3.75 0.94 -4.12 1.53 -0.00 -1.26 -5.09 117.00 112.75 1rfl n LEU 57 Ca 0.55 -3.15 -0.13 0.00 -0.00 0.00 0.00 56.01 53.28 1rfl n LEU 57 Cb 0.24 0.39 -0.11 0.00 -0.00 0.00 0.00 43.42 43.95 1rfl n LEU 57 CO 0.68 1.24 -0.41 -1.00 -0.00 0.00 0.00 177.39 177.90 1rfl s HIS 58 N -2.94 0.85 -0.30 1.96 3.76 -1.25 -5.12 115.29 112.25 1rfl s HIS 58 Ca 0.24 -0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1rfl s HIS 58 Cb 0.36 -0.49 0.11 0.00 1.11 0.00 0.00 32.58 33.66 1rfl s HIS 58 CO -0.05 -0.06 0.14 -1.50 -0.85 0.00 0.00 174.74 172.42 1rfl s ILE 59 N -1.99 -0.01 0.05 0.60 -1.16 -1.26 -4.96 121.20 112.47 1rfl s ILE 59 Ca -0.02 -0.91 0.06 0.00 -0.51 0.00 0.00 60.65 59.27 1rfl s ILE 59 Cb -0.06 -1.02 -0.04 0.00 0.61 0.00 0.00 42.46 41.96 1rfl s ILE 59 CO -0.00 -0.77 -0.12 -0.63 -2.81 0.00 0.00 174.94 170.61 1rfl s ILE 60 N 1.94 3.22 -0.03 2.00 1.01 -1.26 -5.07 121.20 123.01 1rfl s ILE 60 Ca 0.10 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1rfl s ILE 60 Cb -0.17 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1rfl s ILE 60 CO -0.31 0.28 -0.06 -1.81 0.00 0.00 0.00 174.94 173.04 1rfl s ASP 61 N -1.67 0.95 -0.59 3.58 1.11 -1.26 -4.89 116.67 113.91 1rfl s ASP 61 Ca 0.17 -0.14 -0.28 0.00 0.18 0.00 0.00 52.55 52.48 1rfl s ASP 61 Cb -0.11 -0.30 0.02 0.00 1.07 0.00 0.00 42.92 43.60 1rfl s ASP 61 CO 0.08 0.02 1.32 0.28 1.18 0.00 0.00 175.17 178.05 1rfl s THR 62 N 0.38 3.87 0.00 -1.27 -1.32 -1.26 -4.95 115.64 111.08 1rfl s THR 62 Ca -0.05 0.73 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1rfl s THR 62 Cb -0.09 -4.60 0.00 0.00 -1.51 0.00 0.00 72.50 66.30 1rfl s THR 62 CO 0.00 -1.30 0.00 0.00 -2.21 0.00 0.00 174.62 171.11 1rfl n ALA 63 N 9.13 0.00 0.00 11.08 0.00 -1.26 -4.27 120.51 135.18 1rfl n ALA 63 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1rfl n ALA 63 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 1.00 2.11 0.00 0.00 0.00 -1.26 -4.58 105.19 102.47 1rfl n GLY 64 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1rfl n GLY 64 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1rfl n LEU 65 N 0.00 0.00 -0.02 0.99 -0.00 -1.26 -4.96 117.00 111.75 1rfl n LEU 65 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 1rfl n LEU 65 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1rfl n LEU 65 CO 0.00 0.00 0.30 0.03 -0.00 0.00 0.00 177.39 177.72 1rfl h ARG 66 N 0.00 0.14 0.45 1.47 -0.00 -1.98 -2.79 114.38 111.67 1rfl h ARG 66 Ca 0.00 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.98 59.26 1rfl h ARG 66 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.03 1rfl h ARG 66 CO 0.00 1.03 -0.29 1.49 0.00 0.00 0.00 179.97 182.20 1rfl h GLU 67 N -0.65 -0.68 -0.60 0.04 4.81 -1.97 0.60 114.58 116.13 1rfl h GLU 67 Ca -0.05 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1rfl h GLU 67 Cb 1.17 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.58 1rfl h GLU 67 CO 0.06 -0.45 -0.31 0.00 -0.73 0.00 0.00 179.01 177.57 1rfl h ALA 68 N -1.44 0.03 -0.62 2.92 0.00 -1.73 0.35 119.26 118.76 1rfl h ALA 68 Ca -0.06 0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1rfl h ALA 68 Cb 0.57 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1rfl h ALA 68 CO 0.05 -0.64 -0.02 1.03 0.00 0.00 0.00 179.25 179.67 1rfl h SER 69 N -0.14 -0.32 0.65 0.00 0.87 -1.32 1.38 113.55 114.67 1rfl h SER 69 Ca 0.25 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1rfl h SER 69 Cb 0.54 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1rfl h SER 69 CO -0.68 -0.13 -0.44 -0.78 -0.53 0.00 0.00 176.83 174.27 1rfl h ASP 70 N 0.10 -1.13 -0.48 6.23 1.82 0.19 -1.39 116.42 121.76 1rfl h ASP 70 Ca 0.32 0.07 0.14 0.00 -0.39 0.00 0.00 57.03 57.17 1rfl h ASP 70 Cb 0.52 0.34 -0.02 0.00 0.68 0.00 0.00 39.33 40.85 1rfl h ASP 70 CO -0.55 -0.65 0.35 -0.33 -1.61 0.00 0.00 179.24 176.45 1rfl h GLU 71 N -1.03 0.00 0.00 0.28 4.39 0.06 0.65 114.58 118.93 1rfl h GLU 71 Ca -0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1rfl h GLU 71 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1rfl h GLU 71 CO 0.06 0.00 -0.19 0.28 -1.16 0.00 0.00 179.01 178.00 1rfl h VAL 72 N 0.00 0.83 -0.00 3.13 2.07 0.28 -0.18 116.25 122.37 1rfl h VAL 72 Ca 0.23 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1rfl h VAL 72 Cb 0.93 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1rfl h VAL 72 CO -0.00 0.19 -0.46 -0.62 0.02 0.00 0.00 177.57 176.69 1rfl n GLU 73 N -3.86 0.23 -0.04 1.57 -0.58 0.22 -2.69 120.64 115.49 1rfl n GLU 73 Ca -0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 57.16 56.55 1rfl n GLU 73 Cb 0.29 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 1rfl n GLU 73 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1rfl h ARG 74 N 0.34 0.00 0.00 3.49 2.43 -0.36 -2.98 114.38 117.30 1rfl h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rfl h ARG 74 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rfl h ARG 74 CO 0.00 0.00 0.00 0.97 -1.51 0.00 0.00 179.97 179.43 1rfl h ILE 75 N -0.63 0.00 0.00 1.20 -0.00 -1.38 -1.22 117.51 115.48 1rfl h ILE 75 Ca 0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 64.86 64.52 1rfl h ILE 75 Cb 0.31 1.26 -0.00 0.00 -0.00 0.00 0.00 36.82 38.39 1rfl h ILE 75 CO 0.00 0.00 -0.63 1.23 -0.00 0.00 0.00 178.15 178.75 1rfl h GLY 76 N 1.46 0.00 -6.14 8.18 0.00 -1.68 -3.48 103.07 101.40 1rfl h GLY 76 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1rfl h GLY 76 CO 0.00 0.00 -0.88 1.39 0.00 0.00 0.00 176.54 177.05 1rfl n ILE 77 N -2.87 -6.27 -3.39 2.60 5.41 -0.46 -4.97 119.36 109.40 1rfl n ILE 77 Ca 0.01 -0.89 -0.22 0.00 1.00 0.00 0.00 62.75 62.66 1rfl n ILE 77 Cb 0.57 -4.61 -0.09 0.00 -0.71 0.00 0.00 39.64 34.79 1rfl n ILE 77 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1rfl s GLU 78 N -5.58 0.62 0.52 0.38 2.12 -1.15 -5.06 118.70 110.55 1rfl s GLU 78 Ca 0.41 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1rfl s GLU 78 Cb -0.14 -0.95 0.00 0.00 0.26 0.00 0.00 34.13 33.30 1rfl s GLU 78 CO 0.85 -1.21 0.00 0.54 -0.54 0.00 0.00 175.26 174.89 1rfl n ARG 79 N 4.09 -2.91 0.27 4.30 3.00 -1.26 -4.62 116.66 119.52 1rfl n ARG 79 Ca 0.12 2.33 -0.14 0.00 -0.01 0.00 0.00 57.85 60.15 1rfl n ARG 79 Cb 0.42 -3.48 -0.08 0.00 0.00 0.00 0.00 32.46 29.32 1rfl n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rfl h ALA 80 N -1.39 -0.69 -3.38 7.54 0.00 -1.99 -3.45 119.26 115.89 1rfl h ALA 80 Ca -0.15 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 1rfl h ALA 80 Cb 1.26 0.27 -0.30 0.00 0.00 0.00 0.00 17.79 19.02 1rfl h ALA 80 CO 0.06 -0.75 -0.61 1.67 0.00 0.00 0.00 179.25 179.62 1rfl s TRP 81 N -4.87 -0.12 0.00 0.00 -2.14 -1.26 -4.78 118.94 105.77 1rfl s TRP 81 Ca -0.15 0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.97 1rfl s TRP 81 Cb 0.02 -0.04 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 1rfl s TRP 81 CO 0.51 -0.11 0.00 0.00 -2.66 0.00 0.00 176.95 174.69 1rfl n GLN 82 N 3.67 0.00 -2.47 3.25 10.64 -1.26 -5.16 117.38 126.05 1rfl n GLN 82 Ca -0.20 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.64 1rfl n GLN 82 Cb 0.55 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.89 1rfl n GLN 82 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 1rfl s GLU 83 N 1.05 3.89 0.00 2.61 1.03 -1.26 -4.93 118.70 121.09 1rfl s GLU 83 Ca 0.00 1.11 0.00 0.00 0.03 0.00 0.00 54.97 56.11 1rfl s GLU 83 Cb 0.00 -2.12 0.00 0.00 -0.80 0.00 0.00 34.13 31.21 1rfl s GLU 83 CO 0.00 -0.33 0.00 0.44 -1.33 0.00 0.00 175.26 174.04 1rfl n ILE 84 N -1.31 0.00 -0.24 1.83 -5.35 -1.26 -5.13 119.36 107.90 1rfl n ILE 84 Ca 0.07 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.57 1rfl n ILE 84 Cb 0.54 -0.18 -0.01 0.00 -1.74 0.00 0.00 39.64 38.25 1rfl n ILE 84 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1rfl n GLU 85 N -2.19 -0.59 -2.43 6.28 4.07 -1.26 -4.98 120.64 119.54 1rfl n GLU 85 Ca 0.00 0.47 -0.25 0.00 -0.06 0.00 0.00 57.16 57.31 1rfl n GLU 85 Cb 0.00 -0.62 0.14 0.00 -0.06 0.00 0.00 31.44 30.90 1rfl n GLU 85 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1rfl s GLN 86 N -3.78 1.21 0.70 5.31 -0.21 -1.26 -4.81 119.66 116.82 1rfl s GLN 86 Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 55.36 54.20 1rfl s GLN 86 Cb 0.00 -2.18 0.02 0.00 1.00 0.00 0.00 33.01 31.85 1rfl s GLN 86 CO 0.00 -1.85 1.14 0.00 -2.12 0.00 0.00 175.29 172.46 1rfl s ALA 87 N -3.40 2.32 -0.25 6.09 0.00 -1.26 -4.51 121.76 120.74 1rfl s ALA 87 Ca 0.70 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1rfl s ALA 87 Cb -0.04 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1rfl s ALA 87 CO 0.48 -1.53 0.28 -3.47 0.00 0.00 0.00 175.76 171.52 1rfl n ASP 88 N -2.64 0.50 -3.62 0.00 2.03 -1.01 -4.95 116.55 106.85 1rfl n ASP 88 Ca 0.11 -0.75 -0.12 0.00 0.52 0.00 0.00 54.79 54.55 1rfl n ASP 88 Cb 0.52 0.71 -0.07 0.00 -0.72 0.00 0.00 41.12 41.55 1rfl n ASP 88 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1rfl s ARG 89 N -1.03 0.70 -0.06 -0.67 6.06 -1.24 -4.62 118.95 118.08 1rfl s ARG 89 Ca 0.02 0.74 0.01 0.00 -2.50 0.00 0.00 55.73 54.00 1rfl s ARG 89 Cb 0.03 0.34 0.02 0.00 0.06 0.00 0.00 34.95 35.40 1rfl s ARG 89 CO 0.11 -0.10 -0.06 0.54 -2.50 0.00 0.00 175.30 173.29 1rfl s VAL 90 N 0.14 0.74 -0.19 7.11 0.11 -1.12 -2.22 120.40 124.98 1rfl s VAL 90 Ca 0.01 -0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 1rfl s VAL 90 Cb -0.04 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1rfl s VAL 90 CO -0.02 0.28 0.13 -0.22 -3.33 0.00 0.00 175.10 171.95 1rfl s LEU 91 N 1.06 4.22 -0.29 2.54 2.96 -0.10 -2.03 118.68 127.05 1rfl s LEU 91 Ca -0.08 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1rfl s LEU 91 Cb -0.14 -2.08 0.08 0.00 0.50 0.00 0.00 46.19 44.55 1rfl s LEU 91 CO -0.01 0.22 0.00 0.12 -1.32 0.00 0.00 176.35 175.36 1rfl s PHE 92 N 0.14 2.80 0.09 5.38 2.19 0.78 -1.01 117.98 128.35 1rfl s PHE 92 Ca 0.09 -2.22 -0.27 0.00 0.33 0.00 0.00 56.93 54.86 1rfl s PHE 92 Cb -0.11 -2.08 -0.06 0.00 -1.31 0.00 0.00 43.02 39.46 1rfl s PHE 92 CO -0.01 -0.86 0.85 1.41 1.83 0.00 0.00 175.22 178.44 1rfl s MET 93 N 1.25 4.60 -0.20 10.12 -2.45 -1.22 -3.85 119.30 127.54 1rfl s MET 93 Ca 0.02 1.24 -0.02 0.00 -1.25 0.00 0.00 55.69 55.69 1rfl s MET 93 Cb -0.19 -3.36 0.06 0.00 1.25 0.00 0.00 34.83 32.60 1rfl s MET 93 CO -0.10 0.29 0.02 0.08 1.05 0.00 0.00 175.02 176.36 1rfl s VAL 94 N -0.18 0.74 0.52 10.11 1.01 -1.26 -4.27 120.40 127.06 1rfl s VAL 94 Ca 0.42 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1rfl s VAL 94 Cb -0.22 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 1rfl s VAL 94 CO 0.26 -0.20 0.64 -0.67 0.00 0.00 0.00 175.10 175.14 1rfl n ASP 95 N 4.97 -0.49 -4.75 3.32 2.03 -1.26 -4.78 116.55 115.59 1rfl n ASP 95 Ca -0.09 0.82 -0.41 0.00 0.52 0.00 0.00 54.79 55.63 1rfl n ASP 95 Cb 0.46 -1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 39.64 1rfl n ASP 95 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rfl s GLY 96 N -1.07 2.29 -1.29 0.27 0.00 -1.26 -2.97 107.32 103.29 1rfl s GLY 96 Ca 0.67 1.45 -0.23 0.00 0.00 0.00 0.00 44.72 46.62 1rfl s GLY 96 CO 0.55 2.39 0.43 2.41 0.00 0.00 0.00 173.10 178.88 1rfl n THR 97 N 2.09 -1.97 -3.62 0.90 -1.04 -1.26 -4.91 114.28 104.47 1rfl n THR 97 Ca 0.07 -0.54 -0.29 0.00 -2.04 0.00 0.00 64.05 61.24 1rfl n THR 97 Cb 0.39 -1.73 -0.13 0.00 -1.82 0.00 0.00 70.33 67.04 1rfl n THR 97 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1rfl s THR 98 N -3.85 0.79 -0.54 12.58 2.01 -1.16 -5.07 115.64 120.41 1rfl s THR 98 Ca 0.31 -1.95 -0.12 0.00 0.31 0.00 0.00 61.69 60.25 1rfl s THR 98 Cb -0.18 -1.57 0.14 0.00 0.01 0.00 0.00 72.50 70.90 1rfl s THR 98 CO 0.95 -0.88 0.44 0.42 -0.69 0.00 0.00 174.62 174.87 1rfl s THR 99 N 0.93 4.65 0.42 -0.82 -4.23 -1.26 -4.74 115.64 110.58 1rfl s THR 99 Ca 0.16 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 58.92 1rfl s THR 99 Cb -0.22 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 1rfl s THR 99 CO -0.06 -0.84 0.36 -1.81 -0.54 0.00 0.00 174.62 171.73 1rfl s ASP 100 N 2.82 5.00 0.00 3.99 1.01 -1.26 -5.00 116.67 123.23 1rfl s ASP 100 Ca 0.07 -0.77 0.27 0.00 0.71 0.00 0.00 52.55 52.83 1rfl s ASP 100 Cb -0.26 -0.57 1.18 0.00 1.01 0.00 0.00 42.92 44.28 1rfl s ASP 100 CO -0.00 -0.64 1.88 0.00 0.21 0.00 0.00 175.17 176.61 1rfl n ALA 101 N -1.52 2.26 1.07 5.23 0.00 -1.26 -2.28 120.51 124.01 1rfl n ALA 101 Ca 0.03 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1rfl n ALA 101 Cb 0.62 -1.44 0.19 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.49 0.02 -0.02 0.00 0.31 -1.26 -3.67 118.33 112.23 1rfl n VAL 102 Ca 0.07 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 1rfl n VAL 102 Cb 0.31 1.28 -0.10 0.00 -0.91 0.00 0.00 33.84 34.43 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 4.23 -0.05 0.20 4.52 1.82 -1.84 -2.93 116.42 122.37 1rfl h ASP 103 Ca 0.00 -0.62 -0.22 0.00 -0.39 0.00 0.00 57.03 55.80 1rfl h ASP 103 Cb 0.90 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.93 1rfl h ASP 103 CO 0.00 0.65 -0.89 1.55 -1.61 0.00 0.00 179.24 178.94 1rfl h PRO 104 N -0.81 0.51 0.00 0.28 0.13 -1.74 -2.74 132.00 127.63 1rfl h PRO 104 Ca -0.01 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1rfl h PRO 104 Cb 0.66 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1rfl h PRO 104 CO 0.01 1.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.91 1rfl n ALA 105 N -2.56 1.26 -0.04 -0.56 0.00 -1.24 -0.98 120.51 116.39 1rfl n ALA 105 Ca -0.07 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1rfl n ALA 105 Cb 0.80 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 1rfl n ALA 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rfl n GLU 106 N -2.01 0.70 -0.68 0.00 -0.58 -1.09 -4.07 120.64 112.91 1rfl n GLU 106 Ca 0.00 0.30 -0.06 0.00 -0.42 0.00 0.00 57.16 56.98 1rfl n GLU 106 Cb 0.09 -1.68 0.18 0.00 -0.57 0.00 0.00 31.44 29.46 1rfl n GLU 106 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1rfl n ILE 107 N -3.65 2.10 -0.04 -3.67 -5.35 -0.71 -4.19 119.36 103.85 1rfl n ILE 107 Ca -0.35 -1.06 -0.03 0.00 -0.27 0.00 0.00 62.75 61.03 1rfl n ILE 107 Cb 0.97 -0.53 -0.03 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.48 -0.02 0.00 4.28 4.06 -1.20 -3.13 115.95 121.42 1rfl h TRP 108 Ca 0.22 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1rfl h TRP 108 Cb 1.85 0.01 0.00 0.00 -1.00 0.00 0.00 29.16 30.02 1rfl h TRP 108 CO 0.87 0.21 0.00 -1.00 -3.56 0.00 0.00 178.44 174.96 1rfl h PRO 109 N -1.00 0.00 0.00 0.49 0.13 -1.83 -2.80 132.00 126.99 1rfl h PRO 109 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1rfl h PRO 109 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1rfl h PRO 109 CO 0.00 0.00 -0.22 1.49 -0.23 0.00 0.00 178.00 179.05 1rfl h GLU 110 N 0.00 0.00 -1.93 0.86 4.57 -1.73 -3.26 114.58 113.09 1rfl h GLU 110 Ca 0.00 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.81 1rfl h GLU 110 Cb 0.63 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.08 1rfl h GLU 110 CO 0.00 0.22 0.18 0.34 -1.18 0.00 0.00 179.01 178.57 1rfl n PHE 111 N -3.25 1.12 -2.68 0.92 -0.00 -1.06 -4.32 117.46 108.19 1rfl n PHE 111 Ca 0.01 -1.79 -0.04 0.00 -0.00 0.00 0.00 57.45 55.63 1rfl n PHE 111 Cb 0.51 -1.33 0.04 0.00 -0.00 0.00 0.00 39.48 38.70 1rfl n PHE 111 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1rfl n ILE 112 N 1.23 0.00 -3.63 -2.13 0.13 -1.23 -5.06 119.36 108.67 1rfl n ILE 112 Ca 0.42 -0.44 -0.03 0.00 -1.10 0.00 0.00 62.75 61.61 1rfl n ILE 112 Cb 0.64 0.80 -0.02 0.00 -0.84 0.00 0.00 39.64 40.22 1rfl n ILE 112 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1rfl s ALA 113 N 0.72 -2.16 -0.37 1.51 0.00 -1.26 -5.02 121.76 115.18 1rfl s ALA 113 Ca 0.25 1.85 -0.00 0.00 0.00 0.00 0.00 51.96 54.06 1rfl s ALA 113 Cb 0.14 -0.58 0.31 0.00 0.00 0.00 0.00 23.12 23.00 1rfl s ALA 113 CO -0.10 -0.49 1.90 0.54 0.00 0.00 0.00 175.76 177.61 1rfl n ARG 114 N 0.09 1.96 -5.13 0.00 3.00 -1.26 -4.86 116.66 110.46 1rfl n ARG 114 Ca 0.03 -1.97 -0.30 0.00 -0.01 0.00 0.00 57.85 55.60 1rfl n ARG 114 Cb 0.57 -1.77 -0.17 0.00 0.00 0.00 0.00 32.46 31.09 1rfl n ARG 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1rfl s LEU 115 N -2.26 2.02 0.23 0.55 2.01 -1.26 -5.09 118.68 114.89 1rfl s LEU 115 Ca 0.38 -0.49 -0.30 0.00 0.01 0.00 0.00 54.13 53.73 1rfl s LEU 115 Cb 0.31 -1.29 -0.09 0.00 0.01 0.00 0.00 46.19 45.13 1rfl s LEU 115 CO 0.01 0.18 1.09 -2.16 1.01 0.00 0.00 176.35 176.49 1rfl s PRO 116 N 0.15 4.63 -0.05 1.29 0.04 -1.26 -4.93 135.00 134.86 1rfl s PRO 116 Ca -0.11 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1rfl s PRO 116 Cb -0.15 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1rfl s PRO 116 CO 0.06 0.17 -0.14 0.00 0.04 0.00 0.00 177.00 177.12 1rfl s ALA 117 N -0.76 2.68 0.03 8.56 0.00 -1.26 -2.79 121.76 128.22 1rfl s ALA 117 Ca 0.46 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1rfl s ALA 117 Cb -0.31 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1rfl s ALA 117 CO 0.38 0.55 -0.21 0.15 0.00 0.00 0.00 175.76 176.63 1rfl s LYS 118 N -0.71 2.04 -0.01 0.00 1.02 -0.86 -1.19 119.74 120.03 1rfl s LYS 118 Ca 0.11 -0.99 0.05 0.00 0.02 0.00 0.00 55.97 55.16 1rfl s LYS 118 Cb -0.11 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1rfl s LYS 118 CO 0.01 0.54 -0.15 -0.48 -0.92 0.00 0.00 175.35 174.35 1rfl s LEU 119 N -1.24 2.04 0.00 3.17 2.34 -1.19 -0.16 118.68 123.65 1rfl s LEU 119 Ca 0.13 -0.29 0.00 0.00 0.06 0.00 0.00 54.13 54.03 1rfl s LEU 119 Cb -0.10 -0.75 0.00 0.00 -0.56 0.00 0.00 46.19 44.77 1rfl s LEU 119 CO 0.03 0.17 0.00 -0.81 -1.06 0.00 0.00 176.35 174.68 1rfl n PRO 120 N 2.64 -0.27 -3.81 1.48 -0.04 -1.25 -3.16 135.00 130.59 1rfl n PRO 120 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 1rfl n PRO 120 Cb 0.55 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.89 1rfl n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rfl s ILE 121 N -0.84 0.01 -0.69 0.52 1.01 0.48 -4.60 121.20 117.10 1rfl s ILE 121 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1rfl s ILE 121 Cb 0.00 -0.31 0.34 0.00 0.01 0.00 0.00 42.46 42.50 1rfl s ILE 121 CO 0.00 -0.06 1.17 0.41 0.00 0.00 0.00 174.94 176.46 1rfl n THR 122 N 2.71 3.81 -1.16 2.92 -1.04 -1.26 -3.86 114.28 116.40 1rfl n THR 122 Ca -0.14 -5.67 -0.38 0.00 -2.04 0.00 0.00 64.05 55.82 1rfl n THR 122 Cb 0.58 -1.43 -0.04 0.00 -1.82 0.00 0.00 70.33 67.62 1rfl n THR 122 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1rfl n VAL 123 N -0.21 2.32 -2.38 12.58 3.14 -1.26 -4.86 118.33 127.66 1rfl n VAL 123 Ca 0.35 -1.83 -0.14 0.00 -2.96 0.00 0.00 64.34 59.77 1rfl n VAL 123 Cb 0.36 -2.34 0.07 0.00 -1.06 0.00 0.00 33.84 30.88 1rfl n VAL 123 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1rfl n VAL 124 N 5.35 0.00 -0.95 1.55 0.24 -1.26 -5.03 118.33 118.23 1rfl n VAL 124 Ca 0.50 -0.89 -0.35 0.00 -2.04 0.00 0.00 64.34 61.56 1rfl n VAL 124 Cb 0.33 -1.15 0.06 0.00 -1.47 0.00 0.00 33.84 31.61 1rfl n VAL 124 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rfl n ARG 125 N -2.13 -0.08 -2.51 7.34 1.74 -1.26 -4.31 116.66 115.45 1rfl n ARG 125 Ca 0.10 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1rfl n ARG 125 Cb 0.35 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1rfl n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rfl n ASN 126 N 2.27 -6.82 0.00 0.55 4.13 -1.26 -4.84 115.26 109.30 1rfl n ASN 126 Ca 0.00 0.90 0.11 0.00 1.68 0.00 0.00 54.58 57.27 1rfl n ASN 126 Cb 0.56 -4.50 0.59 0.00 -1.54 0.00 0.00 39.78 34.88 1rfl n ASN 126 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1rfl n LYS 127 N 0.24 0.37 -3.18 3.52 -0.00 -1.26 -3.74 118.16 114.11 1rfl n LYS 127 Ca 0.03 0.06 -0.36 0.00 -0.00 0.00 0.00 58.31 58.05 1rfl n LYS 127 Cb 0.13 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.63 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 -1.25 4.72 0.00 0.58 0.00 -1.26 -3.85 120.51 119.45 1rfl n ALA 128 Ca 0.12 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 48.76 1rfl n ALA 128 Cb 0.17 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1rfl n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rfl n ASP 129 N 1.08 0.00 0.13 0.00 2.03 -1.25 -4.95 116.55 113.58 1rfl n ASP 129 Ca 0.28 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.38 1rfl n ASP 129 Cb 0.36 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.61 1rfl n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1rfl h ILE 130 N 0.00 1.36 0.00 5.18 5.03 -1.78 -2.06 117.51 125.25 1rfl h ILE 130 Ca 0.00 -2.85 -0.04 0.00 -0.12 0.00 0.00 64.86 61.85 1rfl h ILE 130 Cb 0.00 3.00 -0.01 0.00 -3.03 0.00 0.00 36.82 36.78 1rfl h ILE 130 CO 0.00 0.85 -0.18 0.74 -0.68 0.00 0.00 178.15 178.88 1rfl h THR 131 N 0.12 0.87 0.01 -0.27 2.02 -1.84 0.90 112.91 114.72 1rfl h THR 131 Ca -0.21 -0.68 -0.27 0.00 0.77 0.00 0.00 66.41 66.03 1rfl h THR 131 Cb 2.09 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 1rfl h THR 131 CO 0.24 0.18 -1.48 1.23 0.37 0.00 0.00 175.52 176.06 1rfl h GLY 132 N 0.79 0.02 1.31 2.16 0.00 -1.83 -2.45 103.07 103.07 1rfl h GLY 132 Ca -0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.06 1rfl h GLY 132 CO 0.02 0.03 -0.85 -2.09 0.00 0.00 0.00 176.54 173.66 1rfl h GLU 133 N 0.00 0.65 0.11 4.80 4.57 -0.81 -3.33 114.58 120.58 1rfl h GLU 133 Ca -0.20 -0.59 -0.01 0.00 -1.18 0.00 0.00 59.36 57.39 1rfl h GLU 133 Cb 1.94 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 1rfl h GLU 133 CO 0.10 1.20 -0.05 0.00 -1.18 0.00 0.00 179.01 179.07 1rfl h THR 134 N 0.42 0.90 0.00 0.32 1.03 -0.97 -3.48 112.91 111.14 1rfl h THR 134 Ca -0.07 -1.33 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 1rfl h THR 134 Cb 1.47 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 70.12 1rfl h THR 134 CO 0.16 0.26 0.00 0.00 -0.01 0.00 0.00 175.52 175.93 1rfl n LEU 135 N -4.85 0.00 -3.34 0.00 -0.00 -0.92 -1.44 117.00 106.45 1rfl n LEU 135 Ca -0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.60 1rfl n LEU 135 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.66 1rfl n LEU 135 CO 0.23 0.00 2.85 0.61 -0.00 0.00 0.00 177.39 181.08 1rfl n GLY 136 N 0.00 3.73 5.04 1.47 0.00 -1.26 -4.82 105.19 109.36 1rfl n GLY 136 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1rfl n GLY 136 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rfl n MET 137 N 4.38 0.00 0.00 1.61 2.81 -0.52 -4.25 117.12 121.14 1rfl n MET 137 Ca 0.61 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 1rfl n MET 137 Cb 0.23 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.74 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 2.26 0.00 -3.58 7.83 2.88 -1.26 -4.86 113.62 116.89 1rfl n SER 138 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1rfl n SER 138 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1rfl n SER 138 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1rfl s GLU 139 N 0.00 1.33 0.20 -1.46 -1.05 -1.26 -5.15 118.70 111.31 1rfl s GLU 139 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1rfl s GLU 139 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1rfl s GLU 139 CO 0.00 -0.62 0.00 1.55 0.95 0.00 0.00 175.26 177.14 1rfl n VAL 140 N -0.54 0.00 -3.72 1.83 3.14 -1.26 -4.65 118.33 113.13 1rfl n VAL 140 Ca -0.05 0.06 -0.37 0.00 -2.96 0.00 0.00 64.34 61.02 1rfl n VAL 140 Cb 0.60 -0.33 -0.11 0.00 -1.06 0.00 0.00 33.84 32.95 1rfl n VAL 140 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1rfl s ASN 141 N -4.57 5.75 0.18 6.55 3.84 -1.26 -5.03 114.94 120.40 1rfl s ASN 141 Ca 0.00 -0.01 -0.30 0.00 0.21 0.00 0.00 52.86 52.76 1rfl s ASN 141 Cb 0.00 -2.04 -0.07 0.00 -0.55 0.00 0.00 41.25 38.59 1rfl s ASN 141 CO 0.00 0.02 1.00 -0.83 -2.79 0.00 0.00 177.10 174.50 1rfl s GLY 142 N 1.30 3.00 -0.05 1.21 0.00 -1.26 -4.70 107.32 106.83 1rfl s GLY 142 Ca 0.06 0.67 -0.25 0.00 0.00 0.00 0.00 44.72 45.20 1rfl s GLY 142 CO 0.06 1.43 1.10 0.84 0.00 0.00 0.00 173.10 176.53 1rfl h HIS 143 N 4.92 0.13 -1.97 1.90 2.76 -1.53 -3.46 115.15 117.90 1rfl h HIS 143 Ca -0.44 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 57.73 1rfl h HIS 143 Cb 1.21 -0.02 -0.21 0.00 1.55 0.00 0.00 27.41 29.94 1rfl h HIS 143 CO 0.63 0.76 -0.05 0.00 -1.30 0.00 0.00 177.93 177.97 1rfl s ALA 144 N -3.50 -2.00 -0.55 5.26 0.00 -1.26 -5.04 121.76 114.67 1rfl s ALA 144 Ca -0.16 2.38 -0.11 0.00 0.00 0.00 0.00 51.96 54.06 1rfl s ALA 144 Cb 0.01 -1.63 0.14 0.00 0.00 0.00 0.00 23.12 21.64 1rfl s ALA 144 CO 0.71 -0.68 0.46 -0.51 0.00 0.00 0.00 175.76 175.74 1rfl s LEU 145 N 2.31 5.96 0.29 0.00 1.43 -1.26 -3.14 118.68 124.27 1rfl s LEU 145 Ca -0.08 -2.06 0.06 0.00 -1.03 0.00 0.00 54.13 51.02 1rfl s LEU 145 Cb -0.09 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 1rfl s LEU 145 CO -0.19 -0.70 -0.03 0.27 0.23 0.00 0.00 176.35 175.92 1rfl s ILE 146 N 1.15 1.57 0.05 -0.59 -5.25 -1.19 -4.98 121.20 111.96 1rfl s ILE 146 Ca 0.08 -2.10 0.04 0.00 -0.99 0.00 0.00 60.65 57.68 1rfl s ILE 146 Cb -0.25 -2.53 -0.04 0.00 2.95 0.00 0.00 42.46 42.60 1rfl s ILE 146 CO -0.01 -0.24 -0.04 0.00 -1.79 0.00 0.00 174.94 172.86 1rfl s ARG 147 N -3.76 2.50 -0.26 0.37 3.03 -1.26 -0.38 118.95 119.18 1rfl s ARG 147 Ca 0.31 -0.81 -0.27 0.00 2.03 0.00 0.00 55.73 56.99 1rfl s ARG 147 Cb 0.05 -2.50 0.17 0.00 -1.03 0.00 0.00 34.95 31.64 1rfl s ARG 147 CO 0.13 0.57 1.25 -0.48 -1.13 0.00 0.00 175.30 175.63 1rfl s LEU 148 N -1.89 -0.19 -0.09 -1.89 -0.00 -1.25 -4.37 118.68 109.01 1rfl s LEU 148 Ca 0.21 0.28 0.03 0.00 -0.00 0.00 0.00 54.13 54.65 1rfl s LEU 148 Cb -0.11 1.40 0.01 0.00 -0.00 0.00 0.00 46.19 47.49 1rfl s LEU 148 CO 0.13 -0.12 -0.17 -0.94 -0.00 0.00 0.00 176.35 175.25 1rfl s SER 149 N -0.52 2.36 -1.04 1.48 1.04 -1.26 -4.74 113.70 111.02 1rfl s SER 149 Ca 0.05 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 1rfl s SER 149 Cb -0.03 -1.08 -0.08 0.00 0.10 0.00 0.00 66.02 64.94 1rfl s SER 149 CO -0.08 0.07 2.19 0.00 0.98 0.00 0.00 173.24 176.40 1rfl n ALA 150 N 3.82 4.79 -0.03 5.32 0.00 -1.26 -3.06 120.51 130.09 1rfl n ALA 150 Ca -0.21 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1rfl n ALA 150 Cb 0.52 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1rfl n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rfl n ARG 151 N 5.21 0.00 -0.19 0.00 1.74 -1.26 -4.81 116.66 117.34 1rfl n ARG 151 Ca 0.52 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.69 1rfl n ARG 151 Cb 0.26 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.90 1rfl n ARG 151 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1rfl n THR 152 N -2.45 0.63 -3.32 0.55 -2.24 -1.24 -4.97 114.28 101.22 1rfl n THR 152 Ca 0.00 -0.81 -0.16 0.00 -2.27 0.00 0.00 64.05 60.81 1rfl n THR 152 Cb 0.00 0.84 0.08 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.21 -0.52 0.18 3.38 0.00 -1.17 -4.91 105.19 103.36 1rfl n GLY 153 Ca 0.17 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 1rfl n GLY 153 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rfl h GLU 154 N -1.62 -0.02 -1.34 1.61 4.22 -1.94 -3.25 114.58 112.23 1rfl h GLU 154 Ca -0.57 0.00 -0.43 0.00 0.08 0.00 0.00 59.36 58.44 1rfl h GLU 154 Cb 1.32 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.17 1rfl h GLU 154 CO 0.46 -0.01 -1.09 0.41 -2.18 0.00 0.00 179.01 176.60 1rfl n GLY 155 N -1.11 2.90 0.00 1.92 0.00 -1.26 -4.84 105.19 102.80 1rfl n GLY 155 Ca 0.01 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.08 0.05 -0.10 1.61 3.14 -1.23 -3.22 118.33 118.50 1rfl n VAL 156 Ca 0.18 0.01 -0.19 0.00 -2.96 0.00 0.00 64.34 61.39 1rfl n VAL 156 Cb 0.74 -0.57 -0.11 0.00 -1.06 0.00 0.00 33.84 32.85 1rfl n VAL 156 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1rfl h ASP 157 N 0.00 0.00 -0.02 6.55 3.32 -1.88 -2.90 116.42 121.49 1rfl h ASP 157 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1rfl h ASP 157 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1rfl h ASP 157 CO 0.00 1.34 0.04 1.62 -1.72 0.00 0.00 179.24 180.52 1rfl h VAL 158 N -1.00 0.24 0.05 -1.35 3.04 -1.95 -0.50 116.25 114.77 1rfl h VAL 158 Ca -0.26 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1rfl h VAL 158 Cb 1.17 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1rfl h VAL 158 CO -0.16 0.00 -0.02 0.25 -1.01 0.00 0.00 177.57 176.63 1rfl h LEU 159 N 0.00 -0.05 -0.46 3.16 7.12 -1.66 -3.03 115.31 120.39 1rfl h LEU 159 Ca 0.01 -0.25 0.09 0.00 0.13 0.00 0.00 57.88 57.86 1rfl h LEU 159 Cb 0.08 0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 40.13 1rfl h LEU 159 CO -0.00 0.56 -0.18 -0.09 -0.13 0.00 0.00 178.44 178.60 1rfl h ARG 160 N -1.00 -0.08 -0.33 1.25 2.43 -1.19 0.30 114.38 115.76 1rfl h ARG 160 Ca -0.01 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1rfl h ARG 160 Cb 0.30 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 1rfl h ARG 160 CO 0.01 -0.05 -0.31 -0.97 -1.51 0.00 0.00 179.97 177.14 1rfl h ASN 161 N -0.08 -1.02 -0.71 -3.80 -1.24 -1.25 1.27 115.58 108.76 1rfl h ASN 161 Ca 0.22 0.18 0.15 0.00 0.71 0.00 0.00 56.30 57.56 1rfl h ASN 161 Cb 0.42 0.47 -0.04 0.00 0.73 0.00 0.00 38.32 39.90 1rfl h ASN 161 CO -0.52 -0.32 0.48 0.45 -1.29 0.00 0.00 177.43 176.24 1rfl h HIS 162 N -0.27 0.39 0.00 0.67 3.86 -1.03 0.91 115.15 119.68 1rfl h HIS 162 Ca 0.16 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1rfl h HIS 162 Cb 0.53 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1rfl h HIS 162 CO -0.49 0.15 -0.42 -0.07 0.86 0.00 0.00 177.93 177.96 1rfl h LEU 163 N 0.34 0.00 0.02 2.43 4.07 0.21 -2.88 115.31 119.49 1rfl h LEU 163 Ca 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 1rfl h LEU 163 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1rfl h LEU 163 CO -0.10 0.42 -0.18 0.50 -1.08 0.00 0.00 178.44 178.01 1rfl h LYS 164 N 0.00 0.08 0.00 1.13 3.11 0.78 -2.94 116.57 118.73 1rfl h LYS 164 Ca -0.00 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1rfl h LYS 164 Cb 1.28 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1rfl h LYS 164 CO 0.05 0.99 0.00 1.96 -2.81 0.00 0.00 179.45 179.65 1rfl h GLN 165 N -0.77 0.00 0.03 1.90 4.20 0.33 -2.75 115.11 118.04 1rfl h GLN 165 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1rfl h GLN 165 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1rfl h GLN 165 CO 0.03 0.00 -0.02 1.03 -0.67 0.00 0.00 178.83 179.21 1rfl h SER 166 N 0.00 -0.04 -0.35 1.46 0.87 -1.49 -3.44 113.55 110.57 1rfl h SER 166 Ca 0.00 -0.05 -0.63 0.00 -1.23 0.00 0.00 61.79 59.88 1rfl h SER 166 Cb 0.10 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 1rfl h SER 166 CO 0.00 0.48 1.52 0.23 -0.53 0.00 0.00 176.83 178.53 1rfl n MET 167 N -4.80 0.30 -1.59 2.24 2.81 -1.04 -4.88 117.12 110.16 1rfl n MET 167 Ca -0.01 0.06 -0.31 0.00 -1.81 0.00 0.00 57.70 55.63 1rfl n MET 167 Cb 0.04 -1.85 0.07 0.00 -0.71 0.00 0.00 33.22 30.77 1rfl n MET 167 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1rfl s GLY 168 N 7.84 1.65 -0.02 3.03 0.00 -1.26 -4.69 107.32 113.86 1rfl s GLY 168 Ca 1.22 -0.06 -0.32 0.00 0.00 0.00 0.00 44.72 45.56 1rfl s GLY 168 CO 0.53 0.30 1.92 0.29 0.00 0.00 0.00 173.10 176.15 1rfl n ILE 169 N -3.24 0.66 0.00 0.90 -5.35 -1.26 -3.66 119.36 107.41 1rfl n ILE 169 Ca 0.07 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1rfl n ILE 169 Cb 0.55 -2.09 0.00 0.00 -1.74 0.00 0.00 39.64 36.36 1rfl n ILE 169 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1rfl n HIS 170 N 7.01 0.00 -3.62 4.28 -0.00 -1.21 -4.95 115.22 116.73 1rfl n HIS 170 Ca 0.21 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.29 1rfl n HIS 170 Cb 0.35 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.18 1rfl n HIS 170 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1rfl s ARG 171 N -1.56 1.21 0.00 1.57 3.03 -1.26 -2.06 118.95 119.87 1rfl s ARG 171 Ca 0.00 -0.71 0.00 0.00 2.03 0.00 0.00 55.73 57.05 1rfl s ARG 171 Cb 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 34.95 34.43 1rfl s ARG 171 CO 0.00 -0.50 0.00 -3.47 -1.13 0.00 0.00 175.30 170.20