#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upn s ASP 2 N 0.00 6.35 -1.41 1.61 -1.08 -1.26 -5.00 116.67 115.88 1upn s ASP 2 Ca 0.00 -0.32 -0.07 0.00 -0.52 0.00 0.00 52.55 51.64 1upn s ASP 2 Cb 0.00 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 39.17 1upn s ASP 2 CO 0.00 -0.90 2.53 1.33 0.52 0.00 0.00 175.17 178.66 1upn n VAL 3 N 5.97 4.96 -0.25 1.11 0.24 -1.26 -3.41 118.33 125.70 1upn n VAL 3 Ca -0.00 -3.84 0.00 0.00 -2.04 0.00 0.00 64.34 58.46 1upn n VAL 3 Cb 0.48 -2.23 0.00 0.00 -1.47 0.00 0.00 33.84 30.61 1upn n VAL 3 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1upn n VAL 4 N 2.29 0.00 -3.13 3.34 0.31 -1.26 -4.67 118.33 115.21 1upn n VAL 4 Ca 0.66 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.60 1upn n VAL 4 Cb 0.25 0.32 -0.05 0.00 -0.91 0.00 0.00 33.84 33.44 1upn n VAL 4 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1upn s GLU 5 N 0.00 4.39 -0.24 5.55 2.02 -1.22 -5.03 118.70 124.17 1upn s GLU 5 Ca 0.00 0.77 -0.03 0.00 0.02 0.00 0.00 54.97 55.73 1upn s GLU 5 Cb 0.00 -3.41 0.03 0.00 0.10 0.00 0.00 34.13 30.85 1upn s GLU 5 CO 0.00 0.17 2.58 0.00 0.02 0.00 0.00 175.26 178.03 1upn n ALA 6 N 3.42 5.60 -3.65 5.21 0.00 -1.26 -4.82 120.51 125.02 1upn n ALA 6 Ca -0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 53.44 51.55 1upn n ALA 6 Cb 0.51 -1.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 1upn n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1upn s VAL 7 N -1.21 0.00 0.00 0.00 1.01 -1.26 -5.18 120.40 113.76 1upn s VAL 7 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1upn s VAL 7 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1upn s VAL 7 CO -0.07 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.41 1upn n GLU 8 N 1.31 0.00 -0.18 2.72 1.02 -1.26 -5.10 120.64 119.15 1upn n GLU 8 Ca -0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.05 1upn n GLU 8 Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.01 1upn n GLU 8 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1upn n ASN 9 N 0.00 -0.94 -0.08 1.62 3.02 -1.26 -5.05 115.26 112.58 1upn n ASN 9 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1upn n ASN 9 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1upn n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1upn n ALA 10 N -1.38 -0.66 -2.21 5.41 0.00 -1.26 -5.06 120.51 115.35 1upn n ALA 10 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1upn n ALA 10 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1upn n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1upn s VAL 11 N -0.05 4.58 -1.27 0.00 1.01 -1.26 -4.98 120.40 118.43 1upn s VAL 11 Ca 0.00 1.61 -0.05 0.00 0.00 0.00 0.00 61.98 63.54 1upn s VAL 11 Cb 0.00 -4.10 0.16 0.00 0.00 0.00 0.00 36.38 32.44 1upn s VAL 11 CO 0.00 0.45 2.28 0.00 0.00 0.00 0.00 175.10 177.83 1upn n ALA 12 N 2.19 6.66 -1.78 5.51 0.00 -1.26 -5.01 120.51 126.82 1upn n ALA 12 Ca -0.05 -4.18 -0.41 0.00 0.00 0.00 0.00 53.44 48.80 1upn n ALA 12 Cb 0.50 -2.67 -0.02 0.00 0.00 0.00 0.00 19.45 17.26 1upn n ALA 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1upn s ARG 13 N -1.68 4.29 0.91 0.00 1.81 -1.26 -1.33 118.95 121.69 1upn s ARG 13 Ca 0.51 2.31 -0.13 0.00 -1.72 0.00 0.00 55.73 56.70 1upn s ARG 13 Cb 0.18 -3.04 0.21 0.00 -0.45 0.00 0.00 34.95 31.84 1upn s ARG 13 CO -0.10 -0.29 1.25 1.33 -0.68 0.00 0.00 175.30 176.81 1upn n VAL 14 N 0.76 0.00 -2.79 3.52 0.24 0.08 -4.92 118.33 115.22 1upn n VAL 14 Ca 0.00 -1.08 -0.37 0.00 -2.04 0.00 0.00 64.34 60.86 1upn n VAL 14 Cb 0.41 -1.40 -0.06 0.00 -1.47 0.00 0.00 33.84 31.32 1upn n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upn s ALA 15 N -3.81 3.21 0.60 2.33 0.00 -1.26 -4.88 121.76 117.94 1upn s ALA 15 Ca 0.72 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 1upn s ALA 15 Cb -0.02 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1upn s ALA 15 CO 0.50 0.18 1.04 -0.51 0.00 0.00 0.00 175.76 176.97 1upn s ASP 16 N -1.62 5.90 -0.35 0.00 1.01 -1.26 -4.70 116.67 115.65 1upn s ASP 16 Ca 0.50 1.71 -0.19 0.00 0.71 0.00 0.00 52.55 55.28 1upn s ASP 16 Cb -0.18 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 1upn s ASP 16 CO 0.24 -1.08 0.57 -0.89 0.21 0.00 0.00 175.17 174.21 1upn s THR 17 N -2.64 4.96 0.19 -1.27 2.01 -0.91 -4.96 115.64 113.03 1upn s THR 17 Ca 0.61 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 1upn s THR 17 Cb -0.14 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1upn s THR 17 CO 0.40 -0.24 1.18 -0.63 -0.69 0.00 0.00 174.62 174.64 1upn s ILE 18 N 2.53 3.60 0.19 1.82 1.01 -1.26 -2.00 121.20 127.08 1upn s ILE 18 Ca 0.21 1.37 -0.31 0.00 0.00 0.00 0.00 60.65 61.92 1upn s ILE 18 Cb -0.15 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1upn s ILE 18 CO 0.14 0.23 1.51 -0.83 0.00 0.00 0.00 174.94 175.99 1upn s GLY 19 N 0.03 1.86 -0.02 6.18 0.00 -1.25 -4.70 107.32 109.42 1upn s GLY 19 Ca 0.52 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.60 1upn s GLY 19 CO 0.37 2.49 -0.10 -0.45 0.00 0.00 0.00 173.10 175.41 1upn s SER 20 N 0.87 1.20 0.00 1.64 0.15 -0.13 -4.93 113.70 112.50 1upn s SER 20 Ca 0.66 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1upn s SER 20 Cb -0.43 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1upn s SER 20 CO 0.35 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.50 1upn n GLY 21 N 3.04 3.90 3.76 9.45 0.00 -1.26 -2.42 105.19 121.67 1upn n GLY 21 Ca -0.16 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 1upn n GLY 21 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1upn s PRO 22 N 0.02 3.28 -0.08 1.61 0.02 -1.26 -4.77 135.00 133.81 1upn s PRO 22 Ca 0.00 1.81 -0.10 0.00 0.02 0.00 0.00 61.00 62.74 1upn s PRO 22 Cb 0.00 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.44 1upn s PRO 22 CO 0.00 -0.96 0.26 -1.54 -0.33 0.00 0.00 177.00 174.43 1upn s SER 23 N -1.50 -0.24 -0.31 2.53 1.04 -1.26 -5.11 113.70 108.86 1upn s SER 23 Ca 0.72 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1upn s SER 23 Cb -0.30 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.43 1upn s SER 23 CO 0.34 -0.16 0.19 0.21 0.98 0.00 0.00 173.24 174.81 1upn s ASN 24 N -0.16 2.89 0.00 7.02 3.84 -1.26 -5.13 114.94 122.15 1upn s ASN 24 Ca -0.03 -1.34 0.00 0.00 0.21 0.00 0.00 52.86 51.70 1upn s ASN 24 Cb -0.03 -0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.56 1upn s ASN 24 CO 0.01 -0.40 0.00 -1.54 -2.79 0.00 0.00 177.10 172.38 1upn n SER 25 N 5.00 0.00 -0.14 -4.21 3.41 -1.26 -5.04 113.62 111.37 1upn n SER 25 Ca -0.01 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1upn n SER 25 Cb 0.42 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1upn n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1upn n GLN 26 N 0.00 0.39 -1.72 4.33 6.02 -1.26 -4.92 117.38 120.22 1upn n GLN 26 Ca 0.00 -0.29 -0.43 0.00 -0.01 0.00 0.00 57.00 56.27 1upn n GLN 26 Cb 0.00 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 1upn n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1upn n ALA 27 N -1.05 2.24 -3.03 -1.58 0.00 -1.26 -4.93 120.51 110.89 1upn n ALA 27 Ca 0.07 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 1upn n ALA 27 Cb 0.36 -2.43 -0.00 0.00 0.00 0.00 0.00 19.45 17.38 1upn n ALA 27 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1upn n VAL 28 N 2.64 -0.24 0.13 0.00 3.14 -1.26 -4.95 118.33 117.79 1upn n VAL 28 Ca 0.12 -3.38 0.03 0.00 -2.96 0.00 0.00 64.34 58.14 1upn n VAL 28 Cb 0.35 -0.07 0.42 0.00 -1.06 0.00 0.00 33.84 33.47 1upn n VAL 28 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1upn h PRO 29 N 3.37 0.22 0.00 1.45 0.11 -1.91 -2.68 132.00 132.56 1upn h PRO 29 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1upn h PRO 29 Cb 0.98 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1upn h PRO 29 CO 0.39 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 1upn n ALA 30 N -2.49 2.48 -3.83 -0.75 0.00 -1.26 -4.60 120.51 110.06 1upn n ALA 30 Ca -0.01 -0.16 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1upn n ALA 30 Cb 0.24 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 1upn n ALA 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1upn s LEU 31 N -2.25 3.67 0.00 0.00 1.43 -1.01 -5.10 118.68 115.42 1upn s LEU 31 Ca 0.36 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1upn s LEU 31 Cb 0.19 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1upn s LEU 31 CO 0.37 -0.22 0.08 1.07 0.23 0.00 0.00 176.35 177.88 1upn n THR 32 N 4.54 0.00 -3.82 5.49 5.66 -1.26 -4.95 114.28 119.94 1upn n THR 32 Ca -0.14 -1.37 -0.30 0.00 -3.05 0.00 0.00 64.05 59.19 1upn n THR 32 Cb 0.43 0.49 -0.15 0.00 -1.55 0.00 0.00 70.33 69.55 1upn n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1upn s ALA 33 N -2.64 2.12 0.53 1.79 0.00 -1.26 -4.98 121.76 117.31 1upn s ALA 33 Ca 0.12 -2.16 0.41 0.00 0.00 0.00 0.00 51.96 50.33 1upn s ALA 33 Cb 0.01 -1.79 2.24 0.00 0.00 0.00 0.00 23.12 23.57 1upn s ALA 33 CO 0.08 -1.76 2.26 -0.24 0.00 0.00 0.00 175.76 176.10 1upn h VAL 34 N 6.25 0.00 0.00 0.00 3.04 -2.00 -2.91 116.25 120.63 1upn h VAL 34 Ca -0.08 -0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.59 1upn h VAL 34 Cb 0.99 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1upn h VAL 34 CO 0.50 0.00 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.65 1upn h GLU 35 N 0.00 0.00 0.00 4.17 3.07 -1.93 -2.18 114.58 117.71 1upn h GLU 35 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1upn h GLU 35 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1upn h GLU 35 CO 0.00 0.08 -0.02 1.79 -1.40 0.00 0.00 179.01 179.46 1upn h THR 36 N 0.00 0.17 0.00 1.13 1.35 -1.97 -3.45 112.91 110.14 1upn h THR 36 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1upn h THR 36 Cb 0.15 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1upn h THR 36 CO 0.01 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1upn n GLY 37 N -0.92 0.69 3.88 5.82 0.00 -0.82 -5.06 105.19 108.78 1upn n GLY 37 Ca -0.02 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1upn n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1upn s HIS 38 N -2.00 3.60 -0.18 1.61 5.65 -1.26 -5.09 115.29 117.61 1upn s HIS 38 Ca 0.00 0.53 -0.15 0.00 0.25 0.00 0.00 55.06 55.69 1upn s HIS 38 Cb 0.00 -1.94 -0.04 0.00 -1.18 0.00 0.00 32.58 29.42 1upn s HIS 38 CO 0.00 0.74 0.34 0.99 -0.65 0.00 0.00 174.74 176.16 1upn s THR 39 N -1.02 5.26 0.36 0.89 2.01 -1.26 -4.75 115.64 117.12 1upn s THR 39 Ca 0.15 0.62 -0.27 0.00 0.31 0.00 0.00 61.69 62.50 1upn s THR 39 Cb -0.12 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.59 1upn s THR 39 CO 0.04 0.32 1.20 -0.24 -0.69 0.00 0.00 174.62 175.25 1upn n SER 40 N 4.01 2.28 -1.79 3.53 2.88 -1.26 -4.94 113.62 118.33 1upn n SER 40 Ca -0.10 1.16 0.01 0.00 -1.33 0.00 0.00 58.87 58.61 1upn n SER 40 Cb 0.51 -1.44 0.33 0.00 -0.75 0.00 0.00 64.21 62.87 1upn n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1upn n GLN 41 N 0.44 3.99 -1.92 -1.46 1.13 -1.26 -5.01 117.38 113.29 1upn n GLN 41 Ca 0.06 -3.10 -0.41 0.00 -1.94 0.00 0.00 57.00 51.62 1upn n GLN 41 Cb 0.36 -2.18 -0.01 0.00 0.11 0.00 0.00 30.24 28.53 1upn n GLN 41 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1upn s VAL 42 N -2.91 2.30 0.27 5.09 1.01 -1.26 -5.05 120.40 119.85 1upn s VAL 42 Ca 0.53 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1upn s VAL 42 Cb 0.42 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1upn s VAL 42 CO 0.13 0.07 -0.10 0.42 0.00 0.00 0.00 175.10 175.62 1upn s THR 43 N -1.13 1.85 0.33 3.92 -4.23 -1.26 -5.03 115.64 110.08 1upn s THR 43 Ca 0.52 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 1upn s THR 43 Cb -0.44 -2.38 0.33 0.00 1.34 0.00 0.00 72.50 71.35 1upn s THR 43 CO 0.59 -0.36 1.65 -0.65 -0.54 0.00 0.00 174.62 175.31 1upn h PRO 44 N 2.30 0.26 0.00 3.99 0.11 -1.96 0.15 132.00 136.86 1upn h PRO 44 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1upn h PRO 44 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1upn h PRO 44 CO 0.66 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 1upn n SER 45 N -5.12 0.38 0.18 -2.05 3.41 -1.26 -1.58 113.62 107.57 1upn n SER 45 Ca 0.29 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.68 1upn n SER 45 Cb 0.90 -0.72 0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1upn n SER 45 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1upn h ASP 46 N 0.00 0.00 0.00 4.04 3.32 -1.09 -3.40 116.42 119.30 1upn h ASP 46 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1upn h ASP 46 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1upn h ASP 46 CO 0.00 0.00 -0.38 0.35 -1.72 0.00 0.00 179.24 177.49 1upn n THR 47 N -2.93 0.00 -4.17 0.35 -2.24 -0.61 -4.81 114.28 99.87 1upn n THR 47 Ca 0.02 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1upn n THR 47 Cb 0.54 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1upn n THR 47 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1upn s VAL 48 N -1.27 0.14 -0.08 2.28 -7.23 -0.81 -5.12 120.40 108.31 1upn s VAL 48 Ca 0.00 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 1upn s VAL 48 Cb 0.00 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1upn s VAL 48 CO 0.00 -0.39 0.97 -1.10 -0.31 0.00 0.00 175.10 174.27 1upn s GLN 49 N -4.05 4.45 0.24 4.82 -0.21 -1.26 -4.42 119.66 119.22 1upn s GLN 49 Ca 0.27 1.33 0.11 0.00 0.02 0.00 0.00 55.36 57.09 1upn s GLN 49 Cb 0.07 -3.52 -0.05 0.00 1.00 0.00 0.00 33.01 30.52 1upn s GLN 49 CO 0.04 -0.22 -0.20 0.95 -2.12 0.00 0.00 175.29 173.73 1upn s THR 50 N 1.69 2.51 0.75 -0.19 -4.23 -1.01 -4.93 115.64 110.23 1upn s THR 50 Ca 0.48 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1upn s THR 50 Cb -0.19 -2.27 0.14 0.00 1.34 0.00 0.00 72.50 71.52 1upn s THR 50 CO 0.20 -0.26 1.03 0.00 -0.54 0.00 0.00 174.62 175.05 1upn s ARG 51 N -3.12 1.56 -0.02 3.99 1.70 -1.26 -0.96 118.95 120.84 1upn s ARG 51 Ca 0.26 -1.03 -0.14 0.00 -0.47 0.00 0.00 55.73 54.35 1upn s ARG 51 Cb -0.07 -2.27 -0.05 0.00 -0.57 0.00 0.00 34.95 31.99 1upn s ARG 51 CO 0.13 -1.56 0.39 -1.58 -1.08 0.00 0.00 175.30 171.60 1upn s HIS 52 N -3.23 3.70 -0.05 5.89 5.65 -1.26 -3.86 115.29 122.12 1upn s HIS 52 Ca 0.67 0.94 0.00 0.00 0.25 0.00 0.00 55.06 56.93 1upn s HIS 52 Cb -0.05 -2.28 0.02 0.00 -1.18 0.00 0.00 32.58 29.09 1upn s HIS 52 CO 0.45 0.61 -0.03 0.08 -0.65 0.00 0.00 174.74 175.20 1upn s VAL 53 N -0.92 0.49 -0.47 0.89 1.01 -0.85 -4.96 120.40 115.59 1upn s VAL 53 Ca 0.23 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1upn s VAL 53 Cb -0.16 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1upn s VAL 53 CO 0.12 0.23 0.72 -0.75 0.00 0.00 0.00 175.10 175.43 1upn s LYS 54 N 1.19 3.28 -0.25 2.72 2.20 -1.26 -2.14 119.74 125.48 1upn s LYS 54 Ca -0.07 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 54.99 1upn s LYS 54 Cb -0.14 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 1upn s LYS 54 CO -0.01 -1.16 0.36 1.21 -0.36 0.00 0.00 175.35 175.39 1upn s ASN 55 N 2.31 6.29 0.00 1.43 3.84 -1.26 -4.96 114.94 122.59 1upn s ASN 55 Ca 0.24 0.34 0.23 0.00 0.21 0.00 0.00 52.86 53.88 1upn s ASN 55 Cb -0.14 -2.21 0.06 0.00 -0.55 0.00 0.00 41.25 38.40 1upn s ASN 55 CO 0.18 -0.13 1.13 -1.22 -2.79 0.00 0.00 177.10 174.27 1upn n TYR 56 N 5.00 0.00 -1.64 0.43 4.01 -1.26 -4.59 117.16 119.10 1upn n TYR 56 Ca -0.09 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.19 1upn n TYR 56 Cb 0.51 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1upn n TYR 56 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1upn n HIS 57 N -0.18 1.95 -4.37 -0.72 8.25 -1.26 -4.79 115.22 114.09 1upn n HIS 57 Ca 0.09 0.47 -0.28 0.00 -0.26 0.00 0.00 57.72 57.74 1upn n HIS 57 Cb 0.45 -2.43 -0.11 0.00 1.12 0.00 0.00 29.99 29.02 1upn n HIS 57 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1upn s SER 58 N 0.36 3.64 -0.35 0.41 0.15 -1.26 -0.75 113.70 115.90 1upn s SER 58 Ca 0.72 -0.73 0.07 0.00 0.70 0.00 0.00 55.95 56.71 1upn s SER 58 Cb -0.72 -0.38 0.68 0.00 -1.71 0.00 0.00 66.02 63.88 1upn s SER 58 CO 0.48 0.14 1.79 0.54 1.20 0.00 0.00 173.24 177.39 1upn n ARG 59 N 0.46 3.05 -0.16 5.44 1.74 -0.45 -4.69 116.66 122.06 1upn n ARG 59 Ca -0.14 -2.86 -0.02 0.00 -0.77 0.00 0.00 57.85 54.06 1upn n ARG 59 Cb 0.55 -2.14 0.06 0.00 -1.02 0.00 0.00 32.46 29.90 1upn n ARG 59 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1upn h SER 60 N 1.93 -0.20 0.06 0.55 4.64 -1.96 -2.20 113.55 116.35 1upn h SER 60 Ca 0.39 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1upn h SER 60 Cb 2.45 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 64.74 1upn h SER 60 CO 0.83 -0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 176.11 1upn n GLU 61 N -5.22 0.63 -0.28 4.77 1.02 -1.26 -2.92 120.64 117.37 1upn n GLU 61 Ca 0.05 0.01 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1upn n GLU 61 Cb 0.27 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.38 1upn n GLU 61 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1upn n SER 62 N -1.04 3.25 -4.78 1.62 3.41 -0.83 -4.44 113.62 110.82 1upn n SER 62 Ca 0.16 -2.71 -0.37 0.00 -0.26 0.00 0.00 58.87 55.68 1upn n SER 62 Cb 0.09 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1upn n SER 62 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1upn s SER 63 N -1.80 6.69 0.41 4.04 1.04 -1.15 -4.87 113.70 118.06 1upn s SER 63 Ca 0.33 2.16 0.15 0.00 0.48 0.00 0.00 55.95 59.06 1upn s SER 63 Cb 0.25 -2.60 1.02 0.00 0.10 0.00 0.00 66.02 64.79 1upn s SER 63 CO 0.09 -0.55 1.90 0.40 0.98 0.00 0.00 173.24 176.06 1upn h ILE 64 N 2.27 0.78 -0.28 -1.02 2.04 -1.94 -1.05 117.51 118.32 1upn h ILE 64 Ca -0.48 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1upn h ILE 64 Cb 1.22 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1upn h ILE 64 CO 0.63 0.08 0.06 -0.08 0.00 0.00 0.00 178.15 178.84 1upn h GLU 65 N 0.46 0.46 0.00 2.37 4.57 -1.91 -2.42 114.58 118.11 1upn h GLU 65 Ca 0.40 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1upn h GLU 65 Cb 0.88 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1upn h GLU 65 CO -0.14 0.55 0.00 0.09 -1.18 0.00 0.00 179.01 178.33 1upn n ASN 66 N -4.67 0.57 0.08 1.04 3.02 -0.49 -1.23 115.26 113.57 1upn n ASN 66 Ca -0.03 0.59 -0.18 0.00 -0.03 0.00 0.00 54.58 54.93 1upn n ASN 66 Cb 0.19 -0.73 -0.14 0.00 -0.61 0.00 0.00 39.78 38.49 1upn n ASN 66 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1upn h PHE 67 N 0.00 0.54 0.00 3.10 3.57 -1.01 -3.38 116.94 119.76 1upn h PHE 67 Ca 0.00 -0.40 -0.28 0.00 3.53 0.00 0.00 57.97 60.83 1upn h PHE 67 Cb 0.50 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1upn h PHE 67 CO 0.00 1.44 -1.98 1.28 -2.23 0.00 0.00 178.31 176.81 1upn n LEU 68 N -3.50 0.40 -3.39 0.59 4.77 -0.94 -4.75 117.00 110.18 1upn n LEU 68 Ca -0.17 0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.66 1upn n LEU 68 Cb 1.05 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 42.40 1upn n LEU 68 CO 0.52 0.36 2.57 -0.24 -1.33 0.00 0.00 177.39 179.26 1upn n SER 69 N -2.81 4.97 -3.71 -1.43 2.88 -0.37 -4.19 113.62 108.96 1upn n SER 69 Ca -0.22 -2.54 -0.12 0.00 -1.33 0.00 0.00 58.87 54.67 1upn n SER 69 Cb 1.02 -1.28 -0.13 0.00 -0.75 0.00 0.00 64.21 63.07 1upn n SER 69 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1upn s ARG 70 N 3.51 0.23 0.28 -1.46 0.52 -1.26 -4.96 118.95 115.81 1upn s ARG 70 Ca 0.51 0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 56.04 1upn s ARG 70 Cb 0.13 -0.08 -0.13 0.00 0.52 0.00 0.00 34.95 35.40 1upn s ARG 70 CO -0.01 -0.18 1.41 0.43 0.02 0.00 0.00 175.30 176.96 1upn n SER 71 N 4.43 2.95 -3.98 0.23 7.64 -1.26 -4.60 113.62 119.02 1upn n SER 71 Ca -0.22 1.16 -0.17 0.00 1.01 0.00 0.00 58.87 60.65 1upn n SER 71 Cb 0.53 -1.47 -0.15 0.00 -1.01 0.00 0.00 64.21 62.11 1upn n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1upn s ALA 72 N -0.36 0.60 0.01 -0.43 0.00 -0.62 -4.91 121.76 116.05 1upn s ALA 72 Ca 0.64 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1upn s ALA 72 Cb -0.60 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 1upn s ALA 72 CO 0.53 0.13 1.40 0.00 0.00 0.00 0.00 175.76 177.82 1upn n VAL 74 N 4.61 0.05 -3.63 0.00 0.24 0.10 -4.76 118.33 114.94 1upn n VAL 74 Ca 0.13 -0.53 -0.04 0.00 -2.04 0.00 0.00 64.34 61.86 1upn n VAL 74 Cb 0.44 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.80 1upn n VAL 74 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1upn s TYR 75 N -0.30 -0.11 -0.17 6.34 5.04 -1.22 -4.35 117.35 122.58 1upn s TYR 75 Ca 0.04 0.18 -0.16 0.00 -2.44 0.00 0.00 57.07 54.69 1upn s TYR 75 Cb 0.03 0.49 0.05 0.00 0.35 0.00 0.00 41.96 42.87 1upn s TYR 75 CO 0.04 -0.10 0.46 0.00 -1.34 0.00 0.00 175.55 174.61 1upn s MET 76 N -1.07 0.54 0.20 4.97 0.23 -1.26 -1.57 119.30 121.34 1upn s MET 76 Ca 0.07 0.65 -0.14 0.00 -1.03 0.00 0.00 55.69 55.23 1upn s MET 76 Cb -0.01 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1upn s MET 76 CO -0.06 -0.07 0.46 0.20 -2.03 0.00 0.00 175.02 173.52 1upn s GLY 77 N 0.29 0.21 0.28 3.16 0.00 -0.59 -4.99 107.32 105.67 1upn s GLY 77 Ca -0.00 -0.56 0.11 0.00 0.00 0.00 0.00 44.72 44.27 1upn s GLY 77 CO 0.00 -0.49 -0.18 -0.54 0.00 0.00 0.00 173.10 171.89 1upn s GLU 78 N -3.93 1.64 -0.07 2.90 2.02 -1.26 -0.43 118.70 119.57 1upn s GLU 78 Ca 0.14 -1.76 -0.26 0.00 0.02 0.00 0.00 54.97 53.12 1upn s GLU 78 Cb -0.00 -1.67 0.06 0.00 0.10 0.00 0.00 34.13 32.62 1upn s GLU 78 CO 0.01 0.29 0.58 1.52 0.02 0.00 0.00 175.26 177.68 1upn s TYR 79 N -2.59 -0.55 0.17 1.61 1.13 -0.57 -4.51 117.35 112.05 1upn s TYR 79 Ca 0.29 1.00 0.05 0.00 -1.41 0.00 0.00 57.07 57.00 1upn s TYR 79 Cb -0.04 0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 1upn s TYR 79 CO 0.14 -0.52 0.16 -1.01 -2.51 0.00 0.00 175.55 171.81 1upn s HIS 80 N -1.01 3.19 0.09 -3.49 3.76 0.18 -1.12 115.29 116.88 1upn s HIS 80 Ca -0.10 -0.01 -0.11 0.00 -0.15 0.00 0.00 55.06 54.69 1upn s HIS 80 Cb -0.02 -1.52 -0.20 0.00 1.11 0.00 0.00 32.58 31.96 1upn s HIS 80 CO 0.07 0.52 1.21 0.00 -0.85 0.00 0.00 174.74 175.69 1upn h THR 81 N 1.93 1.32 -3.05 1.30 1.03 -1.73 -3.39 112.91 110.32 1upn h THR 81 Ca -0.48 -2.37 -0.17 0.00 -0.01 0.00 0.00 66.41 63.38 1upn h THR 81 Cb 1.20 2.45 -0.27 0.00 -1.07 0.00 0.00 68.15 70.47 1upn h THR 81 CO 0.63 0.72 -0.44 0.28 -0.01 0.00 0.00 175.52 176.71 1upn s THR 82 N -3.23 -0.02 0.03 0.00 -1.32 -1.26 -4.06 115.64 105.77 1upn s THR 82 Ca -0.08 0.06 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 1upn s THR 82 Cb 0.07 -0.38 0.10 0.00 -1.51 0.00 0.00 72.50 70.78 1upn s THR 82 CO 0.91 0.03 1.08 0.21 -2.21 0.00 0.00 174.62 174.63 1upn s ASN 83 N 0.64 -0.17 0.24 8.08 3.04 -1.26 -4.75 114.94 120.75 1upn s ASN 83 Ca -0.04 -0.20 0.23 0.00 0.04 0.00 0.00 52.86 52.89 1upn s ASN 83 Cb -0.05 0.32 0.19 0.00 -1.54 0.00 0.00 41.25 40.17 1upn s ASN 83 CO -0.04 -0.58 1.27 0.77 -3.04 0.00 0.00 177.10 175.48 1upn h SER 84 N 2.00 0.00 0.65 -4.21 4.64 -2.01 -3.36 113.55 111.26 1upn h SER 84 Ca -0.24 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1upn h SER 84 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1upn h SER 84 CO 0.27 0.03 0.00 -0.67 -0.87 0.00 0.00 176.83 175.58 1upn n ASP 85 N -2.62 0.00 0.00 4.97 -0.08 -1.26 -4.89 116.55 112.67 1upn n ASP 85 Ca 0.02 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1upn n ASP 85 Cb 0.51 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1upn n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1upn n GLN 86 N -1.41 0.00 -0.24 -0.67 1.13 -1.26 -3.95 117.38 110.98 1upn n GLN 86 Ca 0.08 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1upn n GLN 86 Cb 0.24 0.00 0.13 0.00 0.11 0.00 0.00 30.24 30.72 1upn n GLN 86 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1upn h THR 87 N 0.00 1.24 0.00 5.09 2.02 -1.92 -2.06 112.91 117.28 1upn h THR 87 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1upn h THR 87 Cb 0.00 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1upn h THR 87 CO 0.00 0.30 0.00 0.29 0.37 0.00 0.00 175.52 176.48 1upn n LYS 88 N -4.31 0.84 0.00 6.66 5.02 -1.25 -3.16 118.16 121.95 1upn n LYS 88 Ca 0.07 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 1upn n LYS 88 Cb 0.16 -1.26 0.45 0.00 -0.02 0.00 0.00 35.03 34.35 1upn n LYS 88 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1upn n LEU 89 N -0.76 1.08 -3.54 -0.35 4.77 -0.77 0.49 117.00 117.91 1upn n LEU 89 Ca 0.10 -0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1upn n LEU 89 Cb 0.05 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1upn n LEU 89 CO 0.08 0.19 0.31 0.72 -1.33 0.00 0.00 177.39 177.36 1upn s PHE 90 N -2.36 -0.45 0.18 -1.77 -0.12 -1.19 -4.40 117.98 107.86 1upn s PHE 90 Ca 0.29 0.46 0.06 0.00 -0.05 0.00 0.00 56.93 57.69 1upn s PHE 90 Cb 0.20 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1upn s PHE 90 CO 0.47 -0.68 0.08 0.00 -0.05 0.00 0.00 175.22 175.03 1upn s ALA 91 N -2.68 3.40 -0.28 1.99 0.00 0.13 -4.86 121.76 119.46 1upn s ALA 91 Ca -0.04 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.38 1upn s ALA 91 Cb -0.00 -1.19 0.09 0.00 0.00 0.00 0.00 23.12 22.02 1upn s ALA 91 CO -0.04 0.47 0.81 -1.54 0.00 0.00 0.00 175.76 175.47 1upn s SER 92 N -3.09 -0.68 0.31 0.00 1.04 -1.26 -1.04 113.70 108.98 1upn s SER 92 Ca 0.30 1.27 0.02 0.00 0.48 0.00 0.00 55.95 58.02 1upn s SER 92 Cb -0.09 1.29 -0.01 0.00 0.10 0.00 0.00 66.02 67.31 1upn s SER 92 CO 0.21 -0.22 0.36 -2.67 0.98 0.00 0.00 173.24 171.91 1upn n TRP 93 N 2.77 -1.09 -4.11 5.02 2.14 -0.85 -4.98 117.44 116.34 1upn n TRP 93 Ca -0.14 -2.26 -0.34 0.00 2.07 0.00 0.00 57.50 56.82 1upn n TRP 93 Cb 0.56 0.40 -0.15 0.00 -0.81 0.00 0.00 31.31 31.31 1upn n TRP 93 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1upn s THR 94 N -2.94 2.92 0.13 -1.67 -4.23 -1.26 -1.69 115.64 106.89 1upn s THR 94 Ca 0.30 -0.66 -0.34 0.00 -1.18 0.00 0.00 61.69 59.81 1upn s THR 94 Cb 0.00 -2.29 -0.14 0.00 1.34 0.00 0.00 72.50 71.42 1upn s THR 94 CO 0.21 0.47 1.62 -0.38 -0.54 0.00 0.00 174.62 176.00 1upn n ILE 95 N 4.55 0.08 -3.60 2.99 5.41 -0.81 -4.95 119.36 123.03 1upn n ILE 95 Ca -0.19 -0.01 -0.03 0.00 1.00 0.00 0.00 62.75 63.51 1upn n ILE 95 Cb 0.51 -1.58 -0.02 0.00 -0.71 0.00 0.00 39.64 37.84 1upn n ILE 95 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1upn s SER 96 N 1.33 -0.13 -0.26 4.38 1.04 -1.26 -4.69 113.70 114.10 1upn s SER 96 Ca 0.81 -0.03 0.12 0.00 0.48 0.00 0.00 55.95 57.32 1upn s SER 96 Cb -0.68 0.16 0.53 0.00 0.10 0.00 0.00 66.02 66.13 1upn s SER 96 CO 0.40 -0.27 1.48 0.00 0.98 0.00 0.00 173.24 175.83 1upn n ALA 97 N -0.17 3.87 -0.09 5.32 0.00 -1.26 -4.60 120.51 123.58 1upn n ALA 97 Ca -0.02 -2.79 0.12 0.00 0.00 0.00 0.00 53.44 50.76 1upn n ALA 97 Cb 0.59 -0.78 0.28 0.00 0.00 0.00 0.00 19.45 19.54 1upn n ALA 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1upn n ARG 98 N -0.88 2.64 0.00 0.00 1.74 -1.26 -4.01 116.66 114.90 1upn n ARG 98 Ca 0.30 -2.52 0.09 0.00 -0.77 0.00 0.00 57.85 54.95 1upn n ARG 98 Cb 1.03 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.85 1upn n ARG 98 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1upn n ARG 99 N 1.61 1.31 -4.48 5.56 1.74 -1.26 -4.60 116.66 116.54 1upn n ARG 99 Ca 0.23 -0.33 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 1upn n ARG 99 Cb 0.62 -1.34 -0.17 0.00 -1.02 0.00 0.00 32.46 30.56 1upn n ARG 99 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1upn s MET 100 N -2.46 1.91 0.10 5.56 -1.94 -1.26 -4.98 119.30 116.22 1upn s MET 100 Ca 0.10 -0.46 -0.17 0.00 -1.71 0.00 0.00 55.69 53.45 1upn s MET 100 Cb 0.14 -1.63 -0.06 0.00 2.01 0.00 0.00 34.83 35.29 1upn s MET 100 CO 0.63 -0.04 1.54 -0.24 -0.01 0.00 0.00 175.02 176.90 1upn h VAL 101 N 5.98 1.25 -0.44 -6.03 3.04 -1.90 -2.86 116.25 115.29 1upn h VAL 101 Ca -0.30 -0.91 0.07 0.00 -1.01 0.00 0.00 66.70 64.54 1upn h VAL 101 Cb 1.18 1.27 -0.09 0.00 -2.01 0.00 0.00 31.29 31.64 1upn h VAL 101 CO 0.47 0.29 -0.46 1.56 -1.01 0.00 0.00 177.57 178.43 1upn h GLN 102 N 0.31 -0.31 -0.53 4.17 4.20 -1.97 0.34 115.11 121.32 1upn h GLN 102 Ca 0.08 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1upn h GLN 102 Cb 0.42 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1upn h GLN 102 CO 0.01 -0.21 0.33 1.98 -0.67 0.00 0.00 178.83 180.28 1upn h MET 103 N -0.32 0.71 0.04 1.46 4.05 -1.88 -2.41 114.93 116.57 1upn h MET 103 Ca 0.13 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1upn h MET 103 Cb 0.58 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1upn h MET 103 CO -0.60 0.50 -0.03 -0.09 0.23 0.00 0.00 176.91 176.92 1upn h ARG 104 N 0.71 -0.07 -0.55 0.39 2.43 -0.98 -1.40 114.38 114.92 1upn h ARG 104 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1upn h ARG 104 Cb -0.04 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1upn h ARG 104 CO -0.04 -0.05 0.35 -0.09 -1.51 0.00 0.00 179.97 178.63 1upn h ARG 105 N -0.07 0.73 0.42 0.20 2.43 -0.18 -0.14 114.38 117.75 1upn h ARG 105 Ca -0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1upn h ARG 105 Cb 0.06 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1upn h ARG 105 CO -0.00 0.50 -0.20 0.87 -1.51 0.00 0.00 179.97 179.62 1upn h LYS 106 N 0.74 -0.54 -0.73 0.20 1.57 -1.06 -3.01 116.57 113.74 1upn h LYS 106 Ca 0.20 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1upn h LYS 106 Cb -0.06 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1upn h LYS 106 CO -0.04 -0.30 0.46 -0.07 -0.57 0.00 0.00 179.45 178.93 1upn h LEU 107 N -0.67 0.77 0.00 2.94 3.38 -0.82 -2.64 115.31 118.27 1upn h LEU 107 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1upn h LEU 107 Cb 0.49 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1upn h LEU 107 CO 0.09 0.54 0.00 -0.62 0.09 0.00 0.00 178.44 178.55 1upn n GLU 108 N -4.63 0.30 0.15 1.13 1.02 -0.11 -1.28 120.64 117.22 1upn n GLU 108 Ca 0.08 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 1upn n GLU 108 Cb 0.07 -1.19 0.27 0.00 -0.02 0.00 0.00 31.44 30.58 1upn n GLU 108 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1upn h ILE 109 N 0.00 0.00 -4.01 -3.67 2.04 -1.44 -3.44 117.51 106.99 1upn h ILE 109 Ca 0.00 -0.71 -0.69 0.00 1.00 0.00 0.00 64.86 64.46 1upn h ILE 109 Cb 0.00 1.66 -0.23 0.00 -0.74 0.00 0.00 36.82 37.51 1upn h ILE 109 CO 0.00 0.00 -0.81 -0.36 0.00 0.00 0.00 178.15 176.98 1upn s PHE 110 N -3.16 2.53 0.02 1.37 0.08 -0.40 -0.43 117.98 117.99 1upn s PHE 110 Ca 0.08 -0.27 -0.19 0.00 0.12 0.00 0.00 56.93 56.67 1upn s PHE 110 Cb 0.09 -1.46 -0.21 0.00 -0.57 0.00 0.00 43.02 40.87 1upn s PHE 110 CO 0.65 0.23 1.16 1.15 -0.10 0.00 0.00 175.22 178.31 1upn h THR 111 N 4.00 1.39 -4.13 0.64 2.02 -0.36 -3.44 112.91 113.04 1upn h THR 111 Ca -0.47 -1.97 -0.52 0.00 0.77 0.00 0.00 66.41 64.22 1upn h THR 111 Cb 1.15 2.41 -0.26 0.00 -1.74 0.00 0.00 68.15 69.72 1upn h THR 111 CO 0.47 0.58 -0.82 -0.31 0.37 0.00 0.00 175.52 175.82 1upn s TYR 112 N -3.42 1.51 0.02 3.16 2.02 -1.06 -0.95 117.35 118.63 1upn s TYR 112 Ca -0.13 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1upn s TYR 112 Cb 0.05 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 1upn s TYR 112 CO 0.83 0.05 0.02 0.14 -1.57 0.00 0.00 175.55 175.02 1upn s VAL 113 N -0.76 0.11 -0.03 0.71 -7.23 -0.66 -1.22 120.40 111.31 1upn s VAL 113 Ca 0.05 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 1upn s VAL 113 Cb -0.08 -0.35 0.02 0.00 0.56 0.00 0.00 36.38 36.54 1upn s VAL 113 CO 0.01 -0.48 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.69 1upn s ARG 114 N -1.52 0.61 -0.16 4.82 3.52 -0.14 0.38 118.95 126.47 1upn s ARG 114 Ca -0.15 -0.06 -0.34 0.00 -0.13 0.00 0.00 55.73 55.05 1upn s ARG 114 Cb -0.09 -0.67 0.14 0.00 -1.56 0.00 0.00 34.95 32.77 1upn s ARG 114 CO -0.01 -0.07 1.25 -0.59 -0.81 0.00 0.00 175.30 175.07 1upn s PHE 115 N 0.82 -0.09 0.51 5.12 -0.12 -1.26 -1.47 117.98 121.49 1upn s PHE 115 Ca -0.10 0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1upn s PHE 115 Cb -0.13 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1upn s PHE 115 CO -0.00 -0.20 0.80 -0.51 -0.05 0.00 0.00 175.22 175.26 1upn s ASP 116 N -2.36 5.91 -0.03 1.98 1.01 -0.42 -3.73 116.67 119.03 1upn s ASP 116 Ca 0.11 0.69 0.01 0.00 0.71 0.00 0.00 52.55 54.07 1upn s ASP 116 Cb 0.00 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 42.07 1upn s ASP 116 CO -0.04 -0.78 -0.05 -0.69 0.21 0.00 0.00 175.17 173.81 1upn s VAL 117 N -2.78 0.55 -0.40 -1.27 1.01 -0.06 -0.63 120.40 116.82 1upn s VAL 117 Ca 0.50 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1upn s VAL 117 Cb -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1upn s VAL 117 CO 0.43 0.21 0.39 -0.70 0.00 0.00 0.00 175.10 175.43 1upn s GLU 118 N 0.63 3.17 -0.17 2.72 2.12 -0.23 -0.45 118.70 126.50 1upn s GLU 118 Ca -0.09 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.37 1upn s GLU 118 Cb -0.12 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.29 1upn s GLU 118 CO 0.00 -0.76 0.27 0.08 -0.54 0.00 0.00 175.26 174.32 1upn s VAL 119 N 2.02 5.32 -0.03 3.70 1.01 -0.02 -1.33 120.40 131.06 1upn s VAL 119 Ca 0.10 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1upn s VAL 119 Cb -0.17 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1upn s VAL 119 CO 0.12 0.39 -0.13 -0.89 0.00 0.00 0.00 175.10 174.59 1upn s THR 120 N 0.50 1.12 -0.10 3.92 2.01 -0.50 -1.32 115.64 121.26 1upn s THR 120 Ca 0.15 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1upn s THR 120 Cb -0.13 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1upn s THR 120 CO 0.03 0.33 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.81 1upn s PHE 121 N 0.11 2.81 -0.24 4.92 0.08 -0.68 -0.09 117.98 124.88 1upn s PHE 121 Ca -0.03 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 1upn s PHE 121 Cb -0.10 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1upn s PHE 121 CO 0.01 -0.00 -0.08 0.08 -0.10 0.00 0.00 175.22 175.13 1upn s VAL 122 N -0.13 2.66 -0.10 -0.44 1.01 0.11 -3.50 120.40 120.01 1upn s VAL 122 Ca -0.00 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1upn s VAL 122 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1upn s VAL 122 CO 0.03 0.18 -0.13 -0.63 0.00 0.00 0.00 175.10 174.55 1upn s ILE 123 N 1.28 3.07 0.05 2.22 1.01 -1.26 -0.74 121.20 126.83 1upn s ILE 123 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1upn s ILE 123 Cb -0.17 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1upn s ILE 123 CO -0.05 0.55 -0.07 0.42 0.00 0.00 0.00 174.94 175.79 1upn s THR 124 N -0.00 0.49 0.08 2.92 -4.23 -0.55 -4.99 115.64 109.35 1upn s THR 124 Ca -0.04 -1.28 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1upn s THR 124 Cb -0.14 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.83 1upn s THR 124 CO 0.04 -0.54 -0.11 -0.44 -0.54 0.00 0.00 174.62 173.03 1upn s SER 125 N -1.95 1.39 0.08 3.99 0.01 -1.26 -0.31 113.70 115.64 1upn s SER 125 Ca -0.05 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.50 1upn s SER 125 Cb -0.06 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 1upn s SER 125 CO -0.02 -0.21 -0.06 -1.59 0.41 0.00 0.00 173.24 171.77 1upn s LYS 126 N -2.34 0.71 -0.09 12.44 -2.85 0.19 -4.98 119.74 122.82 1upn s LYS 126 Ca 0.01 -1.18 -0.18 0.00 -1.00 0.00 0.00 55.97 53.62 1upn s LYS 126 Cb -0.06 -0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 1upn s LYS 126 CO 0.01 -0.03 0.49 -1.14 0.10 0.00 0.00 175.35 174.78 1upn s GLN 127 N -3.37 4.30 0.63 1.78 0.74 -1.26 -1.72 119.66 120.77 1upn s GLN 127 Ca 0.06 0.49 -0.17 0.00 0.05 0.00 0.00 55.36 55.79 1upn s GLN 127 Cb 0.03 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 1upn s GLN 127 CO -0.05 0.23 1.18 -0.51 -0.55 0.00 0.00 175.29 175.59 1upn s ASP 128 N 0.38 5.02 0.30 6.67 -0.00 -0.69 -4.92 116.67 123.43 1upn s ASP 128 Ca 0.27 2.29 -0.29 0.00 -0.00 0.00 0.00 52.55 54.82 1upn s ASP 128 Cb -0.16 -2.59 -0.10 0.00 -0.00 0.00 0.00 42.92 40.08 1upn s ASP 128 CO 0.12 -1.70 1.20 -1.58 -0.00 0.00 0.00 175.17 173.21 1upn s GLN 129 N -3.58 4.50 0.05 8.23 2.00 -1.26 -4.91 119.66 124.69 1upn s GLN 129 Ca 0.74 2.00 -0.27 0.00 -2.00 0.00 0.00 55.36 55.84 1upn s GLN 129 Cb -0.28 -3.14 0.09 0.00 0.80 0.00 0.00 33.01 30.49 1upn s GLN 129 CO 0.36 0.00 1.20 0.20 -0.50 0.00 0.00 175.29 176.56 1upn s GLY 130 N -0.62 -0.10 0.03 2.59 0.00 -1.26 -5.05 107.32 102.91 1upn s GLY 130 Ca 0.47 0.02 -0.19 0.00 0.00 0.00 0.00 44.72 45.02 1upn s GLY 130 CO 0.46 3.69 1.20 -0.91 0.00 0.00 0.00 173.10 177.54 1upn h THR 131 N 2.00 1.39 -3.45 0.90 1.35 -2.05 -3.42 112.91 109.62 1upn h THR 131 Ca -0.25 -1.85 -0.61 0.00 -0.55 0.00 0.00 66.41 63.14 1upn h THR 131 Cb 1.20 2.29 -0.14 0.00 -1.73 0.00 0.00 68.15 69.76 1upn h THR 131 CO 0.32 0.55 -0.51 -1.58 -0.25 0.00 0.00 175.52 174.05 1upn s GLN 132 N -3.59 4.08 0.00 4.72 0.74 -1.26 -4.97 119.66 119.38 1upn s GLN 132 Ca -0.13 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1upn s GLN 132 Cb 0.05 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1upn s GLN 132 CO 0.82 0.15 0.24 1.28 -0.55 0.00 0.00 175.29 177.24 1upn n LEU 133 N 3.97 0.49 -4.67 3.68 4.77 -1.26 -5.02 117.00 118.96 1upn n LEU 133 Ca -0.16 -0.72 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 1upn n LEU 133 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1upn n LEU 133 CO 0.36 0.12 0.61 -0.83 -1.33 0.00 0.00 177.39 176.32 1upn s GLY 134 N -0.46 2.05 0.30 -0.72 0.00 -1.26 -5.01 107.32 102.22 1upn s GLY 134 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.54 1upn s GLY 134 CO 0.00 1.68 0.70 -0.86 0.00 0.00 0.00 173.10 174.63 1upn s GLN 135 N 2.25 1.85 -0.42 2.90 -2.07 -1.26 -5.00 119.66 117.92 1upn s GLN 135 Ca 0.38 -1.12 0.06 0.00 -1.82 0.00 0.00 55.36 52.86 1upn s GLN 135 Cb -0.16 0.60 0.22 0.00 -1.09 0.00 0.00 33.01 32.57 1upn s GLN 135 CO 0.11 -0.85 0.46 -3.47 -1.32 0.00 0.00 175.29 170.23 1upn n ASP 136 N -0.65 0.19 -4.70 12.60 2.03 -1.26 -5.11 116.55 119.65 1upn n ASP 136 Ca -0.04 -2.62 -0.42 0.00 0.52 0.00 0.00 54.79 52.23 1upn n ASP 136 Cb 0.60 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.35 1upn n ASP 136 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1upn s MET 137 N -0.78 4.49 1.28 -0.67 -2.45 -1.26 -5.04 119.30 114.88 1upn s MET 137 Ca 0.34 1.27 -0.20 0.00 -1.25 0.00 0.00 55.69 55.86 1upn s MET 137 Cb 0.11 -3.48 0.32 0.00 1.25 0.00 0.00 34.83 33.03 1upn s MET 137 CO -0.14 -0.09 1.02 -2.14 1.05 0.00 0.00 175.02 174.72 1upn s PRO 138 N 1.22 -1.86 0.33 4.11 0.02 -1.26 -4.89 135.00 132.66 1upn s PRO 138 Ca 0.47 0.15 -0.29 0.00 0.02 0.00 0.00 61.00 61.36 1upn s PRO 138 Cb -0.20 -1.50 -0.12 0.00 0.02 0.00 0.00 34.50 32.70 1upn s PRO 138 CO 0.23 -4.18 1.42 -2.30 -0.33 0.00 0.00 177.00 171.84 1upn n PRO 139 N -5.14 2.38 -2.85 5.54 -0.02 -1.26 -4.95 135.00 128.69 1upn n PRO 139 Ca 0.11 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1upn n PRO 139 Cb 0.59 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1upn n PRO 139 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upn s LEU 140 N -1.04 4.46 -0.14 2.45 1.43 -1.26 -4.94 118.68 119.63 1upn s LEU 140 Ca 0.58 1.60 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 1upn s LEU 140 Cb -0.54 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 1upn s LEU 140 CO 0.58 -0.05 -0.16 -0.89 0.23 0.00 0.00 176.35 176.07 1upn s THR 141 N 0.10 2.71 0.31 5.49 2.01 -1.26 -1.53 115.64 123.47 1upn s THR 141 Ca 0.43 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1upn s THR 141 Cb -0.22 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1upn s THR 141 CO 0.26 0.52 0.26 -1.00 -0.69 0.00 0.00 174.62 173.97 1upn s HIS 142 N 0.63 2.98 -0.09 4.92 3.76 0.65 -0.11 115.29 128.02 1upn s HIS 142 Ca -0.08 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1upn s HIS 142 Cb -0.16 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1upn s HIS 142 CO 0.03 0.31 -0.08 -1.14 -0.85 0.00 0.00 174.74 173.01 1upn s GLN 143 N -3.94 1.39 -0.15 1.40 0.74 -0.34 -2.02 119.66 116.74 1upn s GLN 143 Ca 0.38 -0.24 -0.03 0.00 0.05 0.00 0.00 55.36 55.52 1upn s GLN 143 Cb -0.07 -1.38 -0.02 0.00 1.10 0.00 0.00 33.01 32.64 1upn s GLN 143 CO 0.26 -0.16 -0.06 0.42 -0.55 0.00 0.00 175.29 175.20 1upn s ILE 144 N 1.33 3.69 -0.04 -2.34 1.01 -0.05 -1.95 121.20 122.85 1upn s ILE 144 Ca -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1upn s ILE 144 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1upn s ILE 144 CO -0.03 0.50 -0.09 -0.32 0.00 0.00 0.00 174.94 174.99 1upn s MET 145 N 0.41 1.10 -0.23 2.79 1.75 0.12 -0.50 119.30 124.74 1upn s MET 145 Ca -0.05 -0.31 -0.10 0.00 -1.25 0.00 0.00 55.69 53.98 1upn s MET 145 Cb -0.15 -1.00 -0.05 0.00 2.84 0.00 0.00 34.83 36.47 1upn s MET 145 CO 0.03 0.08 0.14 -0.47 -0.65 0.00 0.00 175.02 174.16 1upn s TYR 146 N 0.36 3.32 -0.38 4.11 5.04 -0.93 -0.83 117.35 128.03 1upn s TYR 146 Ca -0.06 0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.77 1upn s TYR 146 Cb -0.11 -2.23 0.10 0.00 0.35 0.00 0.00 41.96 40.08 1upn s TYR 146 CO 0.01 0.11 0.15 0.42 -1.34 0.00 0.00 175.55 174.90 1upn s ILE 147 N 0.87 3.07 0.64 3.14 1.01 0.11 -4.21 121.20 125.83 1upn s ILE 147 Ca 0.07 -2.04 -0.18 0.00 0.00 0.00 0.00 60.65 58.51 1upn s ILE 147 Cb -0.13 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1upn s ILE 147 CO 0.03 -0.61 1.06 -2.65 0.00 0.00 0.00 174.94 172.77 1upn n PRO 148 N 4.53 0.89 -1.68 2.79 -0.02 -1.26 -1.79 135.00 138.46 1upn n PRO 148 Ca -0.02 0.35 -0.50 0.00 -2.02 0.00 0.00 63.50 61.32 1upn n PRO 148 Cb 0.42 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1upn n PRO 148 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1upn n PRO 149 N -1.43 1.98 0.00 0.52 -0.04 -1.26 -1.63 135.00 133.14 1upn n PRO 149 Ca 0.15 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1upn n PRO 149 Cb 0.48 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1upn n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1upn n GLY 150 N 4.17 1.14 3.87 0.55 0.00 -1.26 -5.02 105.19 108.64 1upn n GLY 150 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1upn n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upn s GLY 151 N -2.03 1.83 0.34 -0.02 0.00 -0.64 -5.00 107.32 101.80 1upn s GLY 151 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 1upn s GLY 151 CO 0.00 0.14 1.41 2.56 0.00 0.00 0.00 173.10 177.21 1upn s PRO 152 N -4.45 4.23 -0.20 2.90 0.05 -1.26 -4.98 135.00 131.28 1upn s PRO 152 Ca 0.54 2.40 -0.10 0.00 0.05 0.00 0.00 61.00 63.89 1upn s PRO 152 Cb -0.10 -3.03 -0.05 0.00 0.05 0.00 0.00 34.50 31.37 1upn s PRO 152 CO 0.40 -0.38 0.13 0.42 0.05 0.00 0.00 177.00 177.62 1upn s ILE 153 N -0.99 5.39 0.36 0.56 1.01 -1.26 -5.02 121.20 121.25 1upn s ILE 153 Ca 0.52 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 61.07 1upn s ILE 153 Cb -0.43 -3.46 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 1upn s ILE 153 CO 0.57 0.44 1.40 -2.65 0.00 0.00 0.00 174.94 174.70 1upn n PRO 154 N 3.53 2.44 0.00 2.79 -0.02 -1.26 -4.93 135.00 137.55 1upn n PRO 154 Ca -0.16 0.85 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1upn n PRO 154 Cb 0.52 -2.52 0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1upn n PRO 154 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1upn n LYS 155 N 0.51 0.07 -3.64 -0.52 5.02 -1.26 -5.05 118.16 113.29 1upn n LYS 155 Ca 0.03 -0.92 -0.04 0.00 -2.02 0.00 0.00 58.31 55.36 1upn n LYS 155 Cb 0.38 -1.13 -0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1upn n LYS 155 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1upn s SER 156 N -0.62 -0.21 0.00 4.39 1.04 -1.26 -4.95 113.70 112.09 1upn s SER 156 Ca 0.08 -0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.42 1upn s SER 156 Cb 0.06 0.38 0.48 0.00 0.10 0.00 0.00 66.02 67.03 1upn s SER 156 CO 0.09 -0.66 1.29 1.33 0.98 0.00 0.00 173.24 176.27 1upn n VAL 157 N -0.37 1.07 -0.47 5.02 0.24 -1.26 -2.68 118.33 119.88 1upn n VAL 157 Ca -0.07 0.27 0.05 0.00 -2.04 0.00 0.00 64.34 62.55 1upn n VAL 157 Cb 0.61 -1.09 0.07 0.00 -1.47 0.00 0.00 33.84 31.96 1upn n VAL 157 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1upn n THR 158 N -1.41 1.40 -1.67 3.34 -2.24 -1.26 -5.03 114.28 107.41 1upn n THR 158 Ca 0.04 -1.53 -0.40 0.00 -2.27 0.00 0.00 64.05 59.89 1upn n THR 158 Cb 0.11 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1upn n THR 158 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1upn n ASP 159 N -0.80 1.88 0.30 3.42 -0.08 -1.09 -4.88 116.55 115.29 1upn n ASP 159 Ca 0.08 0.98 0.16 0.00 -1.51 0.00 0.00 54.79 54.50 1upn n ASP 159 Cb 0.44 -1.46 0.95 0.00 2.34 0.00 0.00 41.12 43.39 1upn n ASP 159 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1upn h TYR 160 N 1.41 0.00 -0.68 -0.67 -0.00 -1.97 -2.93 116.97 112.13 1upn h TYR 160 Ca -0.48 0.00 0.20 0.00 -0.00 0.00 0.00 58.73 58.45 1upn h TYR 160 Cb 1.32 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.03 1upn h TYR 160 CO 0.44 0.00 0.49 0.00 -0.00 0.00 0.00 178.16 179.09 1upn h THR 161 N 0.00 0.64 0.00 -0.90 1.03 -1.95 -1.22 112.91 110.51 1upn h THR 161 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1upn h THR 161 Cb 0.03 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 67.77 1upn h THR 161 CO -0.00 0.00 0.00 0.79 -0.01 0.00 0.00 175.52 176.30 1upn n TRP 162 N -4.30 0.00 0.30 0.00 7.02 -1.11 -3.03 117.44 116.33 1upn n TRP 162 Ca 0.13 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.80 1upn n TRP 162 Cb 0.76 0.00 0.89 0.00 -2.42 0.00 0.00 31.31 30.53 1upn n TRP 162 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1upn h GLN 163 N 0.00 0.00 -6.29 -0.99 4.20 -1.47 -3.47 115.11 107.10 1upn h GLN 163 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1upn h GLN 163 Cb 0.00 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.53 1upn h GLN 163 CO 0.00 0.00 -0.70 0.25 -0.67 0.00 0.00 178.83 177.71 1upn n THR 164 N -2.91 -0.22 0.20 -0.54 -2.24 -1.17 -4.78 114.28 102.62 1upn n THR 164 Ca -0.01 -0.11 0.18 0.00 -2.27 0.00 0.00 64.05 61.84 1upn n THR 164 Cb 0.17 -0.49 0.83 0.00 -2.10 0.00 0.00 70.33 68.74 1upn n THR 164 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1upn h SER 165 N -0.79 0.00 0.00 3.42 4.64 -1.90 -3.31 113.55 115.61 1upn h SER 165 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1upn h SER 165 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1upn h SER 165 CO 0.63 0.00 -0.24 0.41 -0.87 0.00 0.00 176.83 176.76 1upn n THR 166 N -3.59 0.00 -1.99 2.95 -1.04 -1.26 -5.06 114.28 104.29 1upn n THR 166 Ca 0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.69 1upn n THR 166 Cb 0.41 -0.22 0.03 0.00 -1.82 0.00 0.00 70.33 68.73 1upn n THR 166 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1upn s ASN 167 N -1.80 5.28 0.09 8.00 0.01 -1.25 -4.96 114.94 120.31 1upn s ASN 167 Ca 0.00 2.21 -0.24 0.00 -0.71 0.00 0.00 52.86 54.12 1upn s ASN 167 Cb 0.00 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 1upn s ASN 167 CO 0.00 -1.52 0.72 -2.16 -1.51 0.00 0.00 177.10 172.63 1upn s PRO 168 N -3.56 4.46 0.18 -0.60 0.04 -1.26 -4.81 135.00 129.45 1upn s PRO 168 Ca 0.73 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.84 1upn s PRO 168 Cb -0.25 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 1upn s PRO 168 CO 0.34 0.45 -0.09 -1.12 0.04 0.00 0.00 177.00 176.62 1upn s SER 169 N -0.64 1.95 -0.07 6.66 0.01 -1.26 -2.20 113.70 118.15 1upn s SER 169 Ca 0.35 -1.06 0.02 0.00 1.31 0.00 0.00 55.95 56.57 1upn s SER 169 Cb -0.21 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.00 1upn s SER 169 CO 0.23 -0.34 -0.12 -0.63 0.41 0.00 0.00 173.24 172.79 1upn s ILE 170 N -3.28 1.14 -0.12 1.44 1.01 0.34 -4.96 121.20 116.77 1upn s ILE 170 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1upn s ILE 170 Cb 0.03 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1upn s ILE 170 CO 0.03 0.36 -0.05 -0.36 0.00 0.00 0.00 174.94 174.92 1upn s PHE 171 N 0.83 2.99 -0.04 3.97 0.40 -1.26 -0.87 117.98 124.00 1upn s PHE 171 Ca -0.11 -0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1upn s PHE 171 Cb -0.15 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.53 1upn s PHE 171 CO 0.02 0.11 0.20 -0.46 0.70 0.00 0.00 175.22 175.79 1upn s TRP 172 N -0.11 -0.14 -0.06 0.36 -0.00 -0.86 -5.00 118.94 113.14 1upn s TRP 172 Ca 0.02 0.30 0.03 0.00 -0.00 0.00 0.00 56.10 56.45 1upn s TRP 172 Cb -0.13 0.04 -0.03 0.00 -0.00 0.00 0.00 33.47 33.35 1upn s TRP 172 CO 0.03 -0.21 -0.13 0.99 -0.00 0.00 0.00 176.95 177.62 1upn s THR 173 N -0.58 3.14 0.58 5.86 2.01 -1.26 -0.26 115.64 125.13 1upn s THR 173 Ca -0.07 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 1upn s THR 173 Cb -0.04 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1upn s THR 173 CO 0.01 0.59 1.13 -0.62 -0.69 0.00 0.00 174.62 175.04 1upn n GLU 174 N 2.41 1.19 0.00 4.92 1.02 -0.58 -3.00 120.64 126.60 1upn n GLU 174 Ca -0.17 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1upn n GLU 174 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1upn n GLU 174 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upn n GLY 175 N 1.07 3.29 3.98 0.62 0.00 -1.26 -4.90 105.19 107.99 1upn n GLY 175 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1upn n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1upn s ASN 176 N -0.51 4.44 0.60 1.61 0.01 -1.16 -5.05 114.94 114.88 1upn s ASN 176 Ca 0.00 -0.24 -0.19 0.00 -0.71 0.00 0.00 52.86 51.71 1upn s ASN 176 Cb 0.00 -0.20 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 1upn s ASN 176 CO 0.00 -1.79 1.26 0.00 -1.51 0.00 0.00 177.10 175.06 1upn s ALA 177 N -3.13 2.55 0.46 0.60 0.00 -1.26 -4.91 121.76 116.07 1upn s ALA 177 Ca 0.65 1.13 -0.24 0.00 0.00 0.00 0.00 51.96 53.50 1upn s ALA 177 Cb -0.06 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1upn s ALA 177 CO 0.44 -1.32 1.26 -2.30 0.00 0.00 0.00 175.76 173.84 1upn n PRO 178 N -1.55 1.81 -1.95 0.00 -0.02 -1.26 -4.94 135.00 127.09 1upn n PRO 178 Ca 0.14 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 1upn n PRO 178 Cb 0.48 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.59 1upn n PRO 178 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1upn s PRO 179 N -2.37 2.95 -0.02 0.52 0.02 -1.23 -4.85 135.00 130.03 1upn s PRO 179 Ca 0.64 1.61 -0.27 0.00 0.02 0.00 0.00 61.00 63.00 1upn s PRO 179 Cb -0.48 -1.95 0.06 0.00 0.02 0.00 0.00 34.50 32.15 1upn s PRO 179 CO 0.56 -1.17 0.60 0.50 -0.33 0.00 0.00 177.00 177.16 1upn s ARG 180 N -3.62 1.02 0.01 5.54 3.52 -1.26 -1.69 118.95 122.46 1upn s ARG 180 Ca 0.72 0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 56.13 1upn s ARG 180 Cb -0.25 0.47 0.09 0.00 -1.56 0.00 0.00 34.95 33.71 1upn s ARG 180 CO 0.35 -0.33 0.81 0.00 -0.81 0.00 0.00 175.30 175.32 1upn s MET 181 N -1.54 0.93 -0.02 5.12 0.23 -0.43 -5.01 119.30 118.57 1upn s MET 181 Ca -0.10 -0.23 -0.04 0.00 -1.03 0.00 0.00 55.69 54.29 1upn s MET 181 Cb -0.01 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1upn s MET 181 CO 0.06 -0.38 0.20 -1.12 -2.03 0.00 0.00 175.02 171.75 1upn s SER 182 N -2.24 6.40 -0.06 -1.18 0.01 -1.26 -0.84 113.70 114.52 1upn s SER 182 Ca 0.02 0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.73 1upn s SER 182 Cb -0.01 -2.03 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 1upn s SER 182 CO -0.07 0.28 -0.21 -0.63 0.41 0.00 0.00 173.24 173.02 1upn s ILE 183 N -1.29 1.76 1.07 1.44 1.09 0.40 -4.97 121.20 120.70 1upn s ILE 183 Ca 0.26 -0.89 -0.18 0.00 -1.10 0.00 0.00 60.65 58.75 1upn s ILE 183 Cb -0.13 -1.51 0.24 0.00 -1.06 0.00 0.00 42.46 40.00 1upn s ILE 183 CO 0.17 0.50 1.24 -2.16 -0.10 0.00 0.00 174.94 174.58 1upn s PRO 184 N 0.08 -0.21 -0.31 2.79 0.04 -1.26 -0.88 135.00 135.25 1upn s PRO 184 Ca -0.08 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 60.38 1upn s PRO 184 Cb -0.14 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1upn s PRO 184 CO 0.04 -3.00 1.73 0.12 0.04 0.00 0.00 177.00 175.93 1upn s PHE 185 N -3.53 1.91 -2.64 0.56 5.36 -1.24 -4.65 117.98 113.74 1upn s PHE 185 Ca 0.73 0.59 0.24 0.00 -0.96 0.00 0.00 56.93 57.53 1upn s PHE 185 Cb -0.06 -4.12 0.39 0.00 -0.34 0.00 0.00 43.02 38.89 1upn s PHE 185 CO 0.54 -2.92 1.38 1.51 -1.46 0.00 0.00 175.22 174.27 1upn n ILE 186 N 7.18 0.31 -1.52 3.12 3.06 -1.26 -5.01 119.36 125.23 1upn n ILE 186 Ca 0.22 -0.63 -0.34 0.00 -2.50 0.00 0.00 62.75 59.50 1upn n ILE 186 Cb 0.46 1.10 0.08 0.00 0.54 0.00 0.00 39.64 41.82 1upn n ILE 186 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1upn s SER 187 N -1.67 4.48 0.26 9.51 0.15 -1.26 -4.91 113.70 120.25 1upn s SER 187 Ca 0.35 2.22 0.14 0.00 0.70 0.00 0.00 55.95 59.36 1upn s SER 187 Cb 0.22 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 62.06 1upn s SER 187 CO 0.31 -2.07 1.46 0.40 1.20 0.00 0.00 173.24 174.54 1upn h ILE 188 N -0.23 1.04 -4.38 6.45 2.04 -1.95 -3.46 117.51 117.03 1upn h ILE 188 Ca -0.47 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 62.96 1upn h ILE 188 Cb 1.28 2.43 0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1upn h ILE 188 CO 0.51 0.57 -0.01 0.61 0.00 0.00 0.00 178.15 179.83 1upn n GLY 189 N 1.08 1.86 0.02 5.37 0.00 -1.26 -5.02 105.19 107.24 1upn n GLY 189 Ca 0.01 -2.13 0.13 0.00 0.00 0.00 0.00 46.02 44.03 1upn n GLY 189 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1upn n ASN 190 N -2.90 0.32 -3.54 1.61 4.13 -1.26 -4.86 115.26 108.76 1upn n ASN 190 Ca 0.03 -0.02 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 1upn n ASN 190 Cb 0.10 -0.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.20 1upn n ASN 190 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1upn s ALA 191 N -2.92 -1.81 0.34 5.41 0.00 -1.26 -4.93 121.76 116.59 1upn s ALA 191 Ca 0.15 1.45 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 1upn s ALA 191 Cb 0.18 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 1upn s ALA 191 CO 0.60 -0.35 1.22 0.71 0.00 0.00 0.00 175.76 177.95 1upn s TYR 192 N -1.00 3.15 -0.24 0.00 2.02 0.16 -4.85 117.35 116.59 1upn s TYR 192 Ca -0.08 1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 58.06 1upn s TYR 192 Cb -0.01 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.00 1upn s TYR 192 CO 0.07 -1.45 0.08 0.45 -1.57 0.00 0.00 175.55 173.13 1upn s SER 193 N -0.76 5.27 0.32 2.29 0.15 -1.26 -1.65 113.70 118.06 1upn s SER 193 Ca 0.51 -0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.24 1upn s SER 193 Cb -0.36 -1.95 0.22 0.00 -1.71 0.00 0.00 66.02 62.23 1upn s SER 193 CO 0.46 -0.01 1.37 0.78 1.20 0.00 0.00 173.24 177.05 1upn h ASN 194 N 8.03 0.00 -4.67 5.45 2.35 -1.33 -3.46 115.58 121.96 1upn h ASN 194 Ca -0.38 -0.01 -0.26 0.00 -0.55 0.00 0.00 56.30 55.11 1upn h ASN 194 Cb 1.18 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.32 1upn h ASN 194 CO 0.59 0.01 -0.73 -0.36 -1.65 0.00 0.00 177.43 175.29 1upn s PHE 195 N -3.27 0.54 -0.27 1.19 0.40 -1.26 -4.85 117.98 110.46 1upn s PHE 195 Ca 0.04 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1upn s PHE 195 Cb 0.08 -0.33 0.15 0.00 0.51 0.00 0.00 43.02 43.42 1upn s PHE 195 CO 0.72 -0.09 0.39 -0.47 0.70 0.00 0.00 175.22 176.46 1upn s TYR 196 N -1.20 -0.89 -1.36 0.36 5.04 -1.26 -4.93 117.35 113.12 1upn s TYR 196 Ca -0.09 0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 54.88 1upn s TYR 196 Cb -0.09 -0.13 0.11 0.00 0.35 0.00 0.00 41.96 42.20 1upn s TYR 196 CO 0.00 -0.89 2.12 -3.47 -1.34 0.00 0.00 175.55 171.97 1upn n ASP 197 N 5.35 5.41 -2.76 4.32 2.03 -1.26 -3.44 116.55 126.21 1upn n ASP 197 Ca -0.01 -3.00 -0.07 0.00 0.52 0.00 0.00 54.79 52.22 1upn n ASP 197 Cb 0.49 -1.52 0.03 0.00 -0.72 0.00 0.00 41.12 39.40 1upn n ASP 197 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1upn n GLY 198 N 3.06 0.96 3.63 0.27 0.00 -1.26 -5.03 105.19 106.83 1upn n GLY 198 Ca 0.49 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1upn n GLY 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1upn s TRP 199 N -2.57 2.50 -0.07 1.61 0.52 -1.26 -1.57 118.94 118.10 1upn s TRP 199 Ca 0.16 -0.67 -0.00 0.00 0.02 0.00 0.00 56.10 55.61 1upn s TRP 199 Cb -0.04 -1.79 -0.26 0.00 -1.15 0.00 0.00 33.47 30.23 1upn s TRP 199 CO 0.10 0.42 0.55 0.66 0.02 0.00 0.00 176.95 178.70 1upn h SER 200 N 1.73 0.29 -3.16 2.95 4.64 -1.50 -3.47 113.55 115.03 1upn h SER 200 Ca -0.44 -0.58 -0.58 0.00 -0.47 0.00 0.00 61.79 59.71 1upn h SER 200 Cb 1.24 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1upn h SER 200 CO 0.80 1.52 -0.25 -1.00 -0.87 0.00 0.00 176.83 177.02 1upn s HIS 201 N -2.58 3.53 0.08 4.77 3.76 -0.92 -4.98 115.29 118.95 1upn s HIS 201 Ca -0.14 0.73 0.33 0.00 -0.15 0.00 0.00 55.06 55.83 1upn s HIS 201 Cb 0.07 -2.12 1.47 0.00 1.11 0.00 0.00 32.58 33.11 1upn s HIS 201 CO 0.80 0.47 1.99 0.74 -0.85 0.00 0.00 174.74 177.89 1upn h PHE 202 N 3.34 0.00 -0.29 1.40 -1.00 -1.91 -2.61 116.94 115.87 1upn h PHE 202 Ca -0.48 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.18 1upn h PHE 202 Cb 1.18 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.67 1upn h PHE 202 CO 0.64 0.00 0.15 -1.13 -1.61 0.00 0.00 178.31 176.36 1upn n SER 203 N -2.91 3.04 -3.73 2.17 3.41 -1.26 -4.85 113.62 109.49 1upn n SER 203 Ca 0.00 -2.47 -0.27 0.00 -0.26 0.00 0.00 58.87 55.87 1upn n SER 203 Cb 0.24 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1upn n SER 203 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1upn n GLN 204 N 0.03 -6.38 -1.00 4.33 6.02 -0.98 -4.95 117.38 114.45 1upn n GLN 204 Ca 0.17 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1upn n GLN 204 Cb 0.79 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.40 1upn n GLN 204 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1upn n ASN 205 N -2.87 0.00 0.00 1.08 0.23 -1.25 -5.01 115.26 107.44 1upn n ASN 205 Ca 0.02 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.41 1upn n ASN 205 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1upn n ASN 205 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1upn n GLY 206 N 0.00 0.92 3.76 4.83 0.00 -1.26 -2.16 105.19 111.28 1upn n GLY 206 Ca 0.00 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1upn n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upn s VAL 207 N 0.00 4.77 -0.11 1.61 0.11 -1.26 -4.91 120.40 120.61 1upn s VAL 207 Ca 0.00 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1upn s VAL 207 Cb 0.00 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1upn s VAL 207 CO 0.00 0.56 0.06 -0.47 -3.33 0.00 0.00 175.10 171.92 1upn s TYR 208 N -0.99 3.33 0.00 1.54 5.04 -1.26 -2.04 117.35 122.97 1upn s TYR 208 Ca 0.16 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1upn s TYR 208 Cb -0.12 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.31 1upn s TYR 208 CO 0.05 0.53 0.00 0.41 -1.34 0.00 0.00 175.55 175.20 1upn n GLY 209 N 2.25 -1.89 0.24 8.97 0.00 -0.61 -4.47 105.19 109.69 1upn n GLY 209 Ca -0.19 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.34 1upn n GLY 209 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1upn n TYR 210 N 0.00 0.66 -0.35 1.61 9.36 -1.26 -1.55 117.16 125.63 1upn n TYR 210 Ca 0.00 0.87 -0.00 0.00 3.32 0.00 0.00 57.90 62.09 1upn n TYR 210 Cb 0.00 -1.17 0.14 0.00 -0.63 0.00 0.00 39.34 37.68 1upn n TYR 210 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1upn h ASN 211 N 0.00 1.03 -0.16 2.98 -0.26 -1.80 -1.58 115.58 115.78 1upn h ASN 211 Ca 0.53 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 56.31 1upn h ASN 211 Cb 1.29 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.31 1upn h ASN 211 CO -0.62 0.70 0.15 0.00 -1.06 0.00 0.00 177.43 176.61 1upn h THR 212 N 1.20 0.61 0.00 2.81 1.03 -1.58 -2.34 112.91 114.64 1upn h THR 212 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.79 1upn h THR 212 Cb 0.03 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1upn h THR 212 CO -0.13 0.00 -0.72 -0.07 -0.01 0.00 0.00 175.52 174.59 1upn h LEU 213 N 0.00 0.00 0.00 0.00 3.38 -1.44 -3.45 115.31 113.79 1upn h LEU 213 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1upn h LEU 213 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1upn h LEU 213 CO -0.00 0.01 0.00 -3.20 0.09 0.00 0.00 178.44 175.34 1upn n ASN 214 N -2.69 0.00 -2.73 -0.43 4.05 -0.88 -4.95 115.26 107.62 1upn n ASN 214 Ca 0.01 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.03 1upn n ASN 214 Cb 0.53 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.55 1upn n ASN 214 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1upn n HIS 215 N 0.00 -2.27 -0.79 1.20 8.25 -1.26 -4.96 115.22 115.40 1upn n HIS 215 Ca 0.00 0.85 0.07 0.00 -0.26 0.00 0.00 57.72 58.39 1upn n HIS 215 Cb 0.00 -3.57 0.11 0.00 1.12 0.00 0.00 29.99 27.65 1upn n HIS 215 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1upn n MET 216 N -1.78 1.82 0.00 -0.41 2.81 -1.26 -4.84 117.12 113.47 1upn n MET 216 Ca -0.01 -2.32 0.00 0.00 -1.81 0.00 0.00 57.70 53.56 1upn n MET 216 Cb 0.51 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1upn n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1upn n GLY 217 N -1.12 -2.12 3.22 3.03 0.00 -1.26 -4.64 105.19 102.30 1upn n GLY 217 Ca 0.12 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1upn n GLY 217 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1upn s GLN 218 N -0.09 1.19 -0.05 1.61 -2.07 -0.74 -1.92 119.66 117.59 1upn s GLN 218 Ca 0.00 -1.62 0.05 0.00 -1.82 0.00 0.00 55.36 51.97 1upn s GLN 218 Cb 0.00 0.09 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 1upn s GLN 218 CO 0.00 -0.32 -0.19 0.42 -1.32 0.00 0.00 175.29 173.88 1upn s ILE 219 N -4.00 2.63 -0.04 3.63 1.01 -0.68 0.10 121.20 123.84 1upn s ILE 219 Ca 0.35 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 60.17 1upn s ILE 219 Cb 0.07 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 1upn s ILE 219 CO 0.10 0.58 -0.18 -0.31 0.00 0.00 0.00 174.94 175.13 1upn s TYR 220 N -0.50 1.80 -0.01 3.97 1.51 -0.01 -2.00 117.35 122.11 1upn s TYR 220 Ca 0.06 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1upn s TYR 220 Cb -0.11 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.53 1upn s TYR 220 CO 0.01 -0.17 -0.02 0.54 -1.11 0.00 0.00 175.55 174.80 1upn s VAL 221 N -0.01 0.20 0.17 0.71 0.11 -0.21 0.12 120.40 121.50 1upn s VAL 221 Ca -0.03 -0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 1upn s VAL 221 Cb -0.12 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1upn s VAL 221 CO 0.02 0.07 0.22 0.00 -3.33 0.00 0.00 175.10 172.09 1upn s ARG 222 N 0.10 1.16 0.44 1.54 1.70 -0.82 -0.70 118.95 122.37 1upn s ARG 222 Ca -0.01 -1.34 -0.08 0.00 -0.47 0.00 0.00 55.73 53.83 1upn s ARG 222 Cb -0.03 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1upn s ARG 222 CO -0.00 -0.41 0.79 -1.01 -1.08 0.00 0.00 175.30 173.59 1upn s HIS 223 N -4.03 3.51 -0.11 5.89 3.76 -1.26 -1.20 115.29 121.85 1upn s HIS 223 Ca 0.24 0.97 0.11 0.00 -0.15 0.00 0.00 55.06 56.23 1upn s HIS 223 Cb 0.05 -2.40 -0.16 0.00 1.11 0.00 0.00 32.58 31.18 1upn s HIS 223 CO 0.04 -0.19 0.07 0.28 -0.85 0.00 0.00 174.74 174.09 1upn n VAL 224 N -1.72 0.74 -0.06 -0.90 0.31 0.84 -4.38 118.33 113.16 1upn n VAL 224 Ca 0.02 -0.50 0.02 0.00 -0.01 0.00 0.00 64.34 63.88 1upn n VAL 224 Cb 0.54 -0.57 0.36 0.00 -0.91 0.00 0.00 33.84 33.26 1upn n VAL 224 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1upn h ASN 225 N 0.00 0.58 -6.04 4.52 4.21 -1.94 -3.48 115.58 113.44 1upn h ASN 225 Ca -0.29 -0.03 -0.24 0.00 1.21 0.00 0.00 56.30 56.95 1upn h ASN 225 Cb 1.62 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.68 1upn h ASN 225 CO 0.02 0.45 -0.72 0.61 -1.29 0.00 0.00 177.43 176.49 1upn n GLY 226 N -1.39 -0.93 0.00 2.83 0.00 -1.26 -4.92 105.19 99.53 1upn n GLY 226 Ca 0.04 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1upn n GLY 226 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1upn n SER 227 N -1.29 0.00 -1.68 1.61 2.88 -1.26 -5.10 113.62 108.78 1upn n SER 227 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1upn n SER 227 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1upn n SER 227 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1upn n SER 228 N -0.51 -1.32 -0.12 -3.46 3.41 -1.26 -4.44 113.62 105.92 1upn n SER 228 Ca 0.00 1.07 -0.05 0.00 -0.26 0.00 0.00 58.87 59.64 1upn n SER 228 Cb 0.00 -2.03 0.02 0.00 -0.26 0.00 0.00 64.21 61.93 1upn n SER 228 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1upn h PRO 229 N 3.38 -0.04 -6.17 4.33 0.11 -2.00 -3.41 132.00 128.20 1upn h PRO 229 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.49 1upn h PRO 229 Cb 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.04 1upn h PRO 229 CO 0.00 -0.03 -0.59 -0.51 -0.21 0.00 0.00 178.00 176.66 1upn s LEU 230 N -10.64 3.84 0.34 2.35 1.43 -1.26 -5.07 118.68 109.67 1upn s LEU 230 Ca -0.14 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1upn s LEU 230 Cb 0.15 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.76 1upn s LEU 230 CO 0.71 0.15 1.44 -2.16 0.23 0.00 0.00 176.35 176.73 1upn s PRO 231 N -2.52 4.19 0.13 1.29 0.04 -1.26 -4.92 135.00 131.96 1upn s PRO 231 Ca 0.30 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.80 1upn s PRO 231 Cb -0.12 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1upn s PRO 231 CO 0.23 -0.44 -0.02 -1.64 0.04 0.00 0.00 177.00 175.17 1upn s MET 232 N -1.71 0.96 -0.10 4.56 -1.94 -1.26 -1.70 119.30 118.11 1upn s MET 232 Ca 0.53 -1.43 -0.08 0.00 -1.71 0.00 0.00 55.69 53.00 1upn s MET 232 Cb -0.44 -0.16 0.03 0.00 2.01 0.00 0.00 34.83 36.26 1upn s MET 232 CO 0.57 -0.10 0.26 -0.08 -0.01 0.00 0.00 175.02 175.66 1upn s THR 233 N -3.70 -0.01 0.13 2.05 -1.32 -0.70 -2.15 115.64 109.94 1upn s THR 233 Ca 0.18 0.04 0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1upn s THR 233 Cb 0.06 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1upn s THR 233 CO -0.00 0.02 -0.03 -0.44 -2.21 0.00 0.00 174.62 171.95 1upn s SER 234 N 0.48 4.74 -0.07 8.08 0.01 -0.28 -0.64 113.70 126.02 1upn s SER 234 Ca -0.03 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1upn s SER 234 Cb -0.04 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1upn s SER 234 CO -0.02 0.14 -0.18 -0.89 0.41 0.00 0.00 173.24 172.70 1upn s THR 235 N -1.44 1.53 -0.15 1.44 2.01 0.58 -1.51 115.64 118.09 1upn s THR 235 Ca 0.25 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1upn s THR 235 Cb -0.11 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1upn s THR 235 CO 0.17 0.44 -0.06 0.54 -0.69 0.00 0.00 174.62 175.02 1upn s VAL 236 N 0.36 3.64 -0.11 3.82 0.11 0.43 -1.49 120.40 127.16 1upn s VAL 236 Ca -0.12 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.51 1upn s VAL 236 Cb -0.15 -2.58 -0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1upn s VAL 236 CO 0.05 0.50 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.96 1upn s ARG 237 N 0.42 3.08 -0.12 1.54 0.52 0.08 -1.55 118.95 122.92 1upn s ARG 237 Ca -0.06 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1upn s ARG 237 Cb -0.15 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 1upn s ARG 237 CO 0.03 0.16 -0.09 1.41 0.02 0.00 0.00 175.30 176.84 1upn s MET 238 N 0.39 3.33 -0.03 3.54 -2.45 -0.61 0.10 119.30 123.57 1upn s MET 238 Ca -0.17 -0.61 0.07 0.00 -1.25 0.00 0.00 55.69 53.73 1upn s MET 238 Cb -0.18 -2.71 -0.02 0.00 1.25 0.00 0.00 34.83 33.18 1upn s MET 238 CO 0.08 0.32 -0.24 0.71 1.05 0.00 0.00 175.02 176.94 1upn s TYR 239 N 0.10 2.41 -0.13 4.11 1.51 0.87 -0.72 117.35 125.50 1upn s TYR 239 Ca -0.04 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1upn s TYR 239 Cb -0.14 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1upn s TYR 239 CO 0.04 -0.00 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.30 1upn s PHE 240 N -0.61 2.84 -0.32 2.71 0.40 -0.45 -1.42 117.98 121.13 1upn s PHE 240 Ca 0.10 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1upn s PHE 240 Cb -0.10 -1.86 0.10 0.00 0.51 0.00 0.00 43.02 41.67 1upn s PHE 240 CO -0.01 -0.17 0.09 0.21 0.70 0.00 0.00 175.22 176.04 1upn s LYS 241 N 0.32 0.94 0.55 0.44 2.20 -0.44 -1.59 119.74 122.15 1upn s LYS 241 Ca -0.09 -1.32 -0.20 0.00 -0.36 0.00 0.00 55.97 54.00 1upn s LYS 241 Cb -0.15 -2.33 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 1upn s LYS 241 CO 0.05 -0.98 1.18 -1.25 -0.36 0.00 0.00 175.35 174.00 1upn s PRO 242 N 1.38 3.25 -0.02 4.03 0.04 -1.26 -1.06 135.00 141.36 1upn s PRO 242 Ca 0.10 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1upn s PRO 242 Cb -0.18 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1upn s PRO 242 CO -0.20 -0.97 0.26 -1.59 0.04 0.00 0.00 177.00 174.54 1upn s LYS 243 N -3.18 0.57 -0.55 4.56 -2.85 0.20 -3.98 119.74 114.52 1upn s LYS 243 Ca 0.73 -0.16 -0.01 0.00 -1.00 0.00 0.00 55.97 55.54 1upn s LYS 243 Cb -0.29 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 35.73 1upn s LYS 243 CO 0.32 -0.15 0.46 0.72 0.10 0.00 0.00 175.35 176.81 1upn n HIS 244 N 1.56 -1.09 -3.02 1.78 8.25 -1.26 -1.30 115.22 120.14 1upn n HIS 244 Ca -0.21 0.44 -0.31 0.00 -0.26 0.00 0.00 57.72 57.38 1upn n HIS 244 Cb 0.56 -3.41 -0.05 0.00 1.12 0.00 0.00 29.99 28.21 1upn n HIS 244 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1upn s VAL 245 N -3.18 4.74 -0.10 1.59 1.01 -1.26 -4.28 120.40 118.92 1upn s VAL 245 Ca 0.07 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 1upn s VAL 245 Cb -0.01 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1upn s VAL 245 CO 0.35 -0.34 0.27 -0.54 0.00 0.00 0.00 175.10 174.83 1upn s LYS 246 N -3.40 0.29 0.02 2.72 1.02 -0.54 -4.90 119.74 114.95 1upn s LYS 246 Ca 0.52 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.95 1upn s LYS 246 Cb -0.10 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1upn s LYS 246 CO 0.24 -0.07 -0.05 0.00 -0.92 0.00 0.00 175.35 174.55 1upn s ALA 247 N 0.47 0.39 0.06 5.17 0.00 -1.26 -0.96 121.76 125.63 1upn s ALA 247 Ca -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1upn s ALA 247 Cb -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1upn s ALA 247 CO -0.02 -0.02 -0.09 -1.58 0.00 0.00 0.00 175.76 174.05 1upn s TRP 248 N -0.96 0.83 -0.13 0.00 0.51 -0.36 -4.98 118.94 113.86 1upn s TRP 248 Ca -0.07 -0.57 -0.09 0.00 -2.12 0.00 0.00 56.10 53.24 1upn s TRP 248 Cb -0.07 -0.48 0.01 0.00 -0.81 0.00 0.00 33.47 32.12 1upn s TRP 248 CO -0.00 -0.06 0.16 1.55 -0.51 0.00 0.00 176.95 178.09 1upn n VAL 249 N 1.10 -3.10 -1.97 4.03 3.14 -1.26 -1.72 118.33 118.54 1upn n VAL 249 Ca -0.20 0.48 -0.35 0.00 -2.96 0.00 0.00 64.34 61.31 1upn n VAL 249 Cb 0.56 -3.39 0.03 0.00 -1.06 0.00 0.00 33.84 29.98 1upn n VAL 249 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1upn s PRO 250 N -1.39 2.95 0.14 1.45 0.04 -1.26 -1.43 135.00 135.50 1upn s PRO 250 Ca 0.09 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1upn s PRO 250 Cb -0.01 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1upn s PRO 250 CO 0.26 -1.19 0.00 -0.98 0.04 0.00 0.00 177.00 175.13 1upn s ARG 251 N -3.50 0.97 0.64 4.56 1.70 0.43 -4.87 118.95 118.88 1upn s ARG 251 Ca 0.74 -1.45 -0.18 0.00 -0.47 0.00 0.00 55.73 54.37 1upn s ARG 251 Cb -0.27 -0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.00 1upn s ARG 251 CO 0.34 -0.14 1.29 -0.35 -1.08 0.00 0.00 175.30 175.36 1upn n PRO 252 N -0.14 1.17 -2.08 3.89 -0.04 -1.26 -4.76 135.00 131.78 1upn n PRO 252 Ca -0.08 0.45 -0.40 0.00 -0.04 0.00 0.00 63.50 63.44 1upn n PRO 252 Cb 0.63 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 1upn n PRO 252 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1upn s PRO 253 N -3.29 4.06 0.02 0.54 0.02 -1.26 -4.84 135.00 130.25 1upn s PRO 253 Ca 0.81 2.15 -0.34 0.00 0.02 0.00 0.00 61.00 63.64 1upn s PRO 253 Cb -0.39 -2.82 -0.13 0.00 0.02 0.00 0.00 34.50 31.19 1upn s PRO 253 CO 0.41 -0.41 1.75 -2.13 -0.33 0.00 0.00 177.00 176.29 1upn n ARG 254 N 0.27 2.17 -0.08 5.54 3.00 -1.26 -4.90 116.66 121.40 1upn n ARG 254 Ca 0.03 0.79 -0.23 0.00 -0.00 0.00 0.00 57.85 58.44 1upn n ARG 254 Cb 0.43 -2.60 -0.12 0.00 0.00 0.00 0.00 32.46 30.17 1upn n ARG 254 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1upn n LEU 255 N 5.27 2.27 -4.85 6.15 7.94 -1.26 -4.96 117.00 127.55 1upn n LEU 255 Ca 0.20 0.26 -0.33 0.00 -1.11 0.00 0.00 56.01 55.04 1upn n LEU 255 Cb 0.29 -0.97 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 1upn n LEU 255 CO 0.69 0.60 0.43 0.00 -1.11 0.00 0.00 177.39 178.00 1upn s GLN 257 N -2.96 1.93 0.32 0.00 -1.52 -1.26 -4.97 119.66 111.20 1upn s GLN 257 Ca 0.54 1.67 -0.27 0.00 -1.95 0.00 0.00 55.36 55.35 1upn s GLN 257 Cb -0.10 -1.82 -0.09 0.00 -0.22 0.00 0.00 33.01 30.77 1upn s GLN 257 CO 0.17 -1.97 0.99 0.71 -0.25 0.00 0.00 175.29 174.94 1upn s TYR 258 N -2.19 3.62 -0.19 0.91 2.02 -1.26 -4.68 117.35 115.58 1upn s TYR 258 Ca 0.72 1.76 0.08 0.00 -0.37 0.00 0.00 57.07 59.26 1upn s TYR 258 Cb -0.27 -3.03 -0.17 0.00 -0.40 0.00 0.00 41.96 38.08 1upn s TYR 258 CO 0.48 -0.06 -0.06 1.63 -1.57 0.00 0.00 175.55 175.97 1upn n LYS 259 N 0.66 0.92 -3.88 -0.62 4.76 -1.20 -5.06 118.16 113.74 1upn n LYS 259 Ca 0.02 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.40 1upn n LYS 259 Cb 0.49 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 32.26 1upn n LYS 259 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1upn s ASN 260 N -5.54 0.30 0.15 4.39 2.20 -1.26 -5.07 114.94 110.11 1upn s ASN 260 Ca -0.18 -1.29 0.15 0.00 -0.94 0.00 0.00 52.86 50.59 1upn s ASN 260 Cb 0.06 0.82 -0.07 0.00 -2.00 0.00 0.00 41.25 40.06 1upn s ASN 260 CO 0.59 -1.63 1.13 0.00 -2.94 0.00 0.00 177.10 174.25 1upn h ALA 261 N 2.02 0.63 -0.00 3.54 0.00 -1.98 -3.35 119.26 120.11 1upn h ALA 261 Ca -0.32 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1upn h ALA 261 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1upn h ALA 261 CO 0.41 0.88 -0.39 -1.13 0.00 0.00 0.00 179.25 179.03 1upn n SER 262 N -3.09 0.68 -4.28 0.00 3.41 -1.26 -4.92 113.62 104.14 1upn n SER 262 Ca -0.04 -0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 57.89 1upn n SER 262 Cb 0.82 0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.85 1upn n SER 262 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1upn s THR 263 N -2.80 0.76 -2.55 6.66 -1.32 -1.26 -4.56 115.64 110.57 1upn s THR 263 Ca 0.17 -2.00 0.23 0.00 -1.21 0.00 0.00 61.69 58.88 1upn s THR 263 Cb 0.18 -2.62 0.40 0.00 -1.51 0.00 0.00 72.50 68.95 1upn s THR 263 CO 0.62 0.00 1.39 0.55 -2.21 0.00 0.00 174.62 174.97 1upn n VAL 264 N -0.65 0.44 -1.52 5.08 3.14 -1.26 -4.66 118.33 118.90 1upn n VAL 264 Ca -0.02 -0.71 -0.42 0.00 -2.96 0.00 0.00 64.34 60.23 1upn n VAL 264 Cb 0.66 1.04 0.01 0.00 -1.06 0.00 0.00 33.84 34.49 1upn n VAL 264 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1upn n ASN 265 N 1.47 0.00 -3.78 6.55 3.02 -1.26 -4.91 115.26 116.36 1upn n ASN 265 Ca 0.19 0.97 -0.09 0.00 -0.03 0.00 0.00 54.58 55.62 1upn n ASN 265 Cb 0.61 -1.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 1upn n ASN 265 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1upn s PHE 266 N -1.36 -0.13 0.14 3.10 -0.71 -1.26 -3.27 117.98 114.49 1upn s PHE 266 Ca 0.63 -0.24 0.04 0.00 -1.04 0.00 0.00 56.93 56.33 1upn s PHE 266 Cb -0.60 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1upn s PHE 266 CO 0.57 -1.04 0.13 -1.12 -1.34 0.00 0.00 175.22 172.42 1upn s SER 267 N -2.89 5.54 0.24 1.98 0.01 -1.26 -5.05 113.70 112.27 1upn s SER 267 Ca 0.11 -0.09 -0.31 0.00 1.31 0.00 0.00 55.95 56.96 1upn s SER 267 Cb -0.03 -1.46 -0.12 0.00 0.21 0.00 0.00 66.02 64.62 1upn s SER 267 CO 0.01 0.09 1.58 -2.65 0.41 0.00 0.00 173.24 172.69 1upn n PRO 268 N -0.15 2.50 -4.18 12.44 -0.02 -1.26 -4.88 135.00 139.44 1upn n PRO 268 Ca -0.08 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1upn n PRO 268 Cb 0.54 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 1upn n PRO 268 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1upn s THR 269 N 0.38 0.89 0.41 3.45 -4.23 -1.26 -5.12 115.64 110.16 1upn s THR 269 Ca 0.69 -1.76 -0.27 0.00 -1.18 0.00 0.00 61.69 59.18 1upn s THR 269 Cb -0.56 -1.48 -0.10 0.00 1.34 0.00 0.00 72.50 71.70 1upn s THR 269 CO 0.44 -0.66 1.48 -1.81 -0.54 0.00 0.00 174.62 173.52 1upn s ASP 270 N -2.67 6.11 0.30 3.99 1.01 -1.26 -4.93 116.67 119.22 1upn s ASP 270 Ca 0.08 3.03 -0.01 0.00 0.71 0.00 0.00 52.55 56.36 1upn s ASP 270 Cb -0.00 -2.66 0.46 0.00 1.01 0.00 0.00 42.92 41.72 1upn s ASP 270 CO -0.01 -1.03 1.93 0.40 0.21 0.00 0.00 175.17 176.67 1upn h ILE 271 N 2.68 1.21 -1.63 0.77 1.08 -2.01 -3.47 117.51 116.14 1upn h ILE 271 Ca -0.51 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1upn h ILE 271 Cb 1.25 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1upn h ILE 271 CO 0.63 0.23 0.00 1.07 -0.69 0.00 0.00 178.15 179.38 1upn n THR 272 N -4.37 0.00 -2.92 -0.27 5.66 -1.26 -5.17 114.28 105.94 1upn n THR 272 Ca 0.07 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.76 1upn n THR 272 Cb 0.09 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.83 1upn n THR 272 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1upn s ASP 273 N -0.98 6.62 0.66 1.09 1.01 -1.26 -5.07 116.67 118.73 1upn s ASP 273 Ca 0.00 1.22 -0.07 0.00 0.71 0.00 0.00 52.55 54.40 1upn s ASP 273 Cb 0.00 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.61 1upn s ASP 273 CO 0.00 -0.35 0.98 -1.59 0.21 0.00 0.00 175.17 174.43 1upn s LYS 274 N -3.56 2.59 0.20 8.23 -2.85 -1.26 -5.10 119.74 117.99 1upn s LYS 274 Ca 0.53 -0.03 -0.06 0.00 -1.00 0.00 0.00 55.97 55.41 1upn s LYS 274 Cb -0.10 -2.18 -0.02 0.00 -2.06 0.00 0.00 37.83 33.46 1upn s LYS 274 CO 0.26 -0.99 0.27 -0.98 0.10 0.00 0.00 175.35 174.00 1upn s ARG 275 N -5.17 1.27 0.10 1.78 1.70 -1.26 -5.10 118.95 112.28 1upn s ARG 275 Ca 0.57 -1.40 -0.22 0.00 -0.47 0.00 0.00 55.73 54.22 1upn s ARG 275 Cb -0.11 0.35 -0.11 0.00 -0.57 0.00 0.00 34.95 34.52 1upn s ARG 275 CO 0.46 -0.46 1.73 -0.91 -1.08 0.00 0.00 175.30 175.04 1upn h ASN 276 N 2.51 -0.03 -5.22 -2.89 2.35 -1.99 -3.46 115.58 106.85 1upn h ASN 276 Ca -0.32 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.39 1upn h ASN 276 Cb 1.24 0.03 -0.10 0.00 0.05 0.00 0.00 38.32 39.54 1upn h ASN 276 CO 0.47 -0.01 -0.13 -0.94 -1.65 0.00 0.00 177.43 175.17 1upn s SER 277 N -5.21 -0.10 0.00 5.81 1.04 -1.26 -5.00 113.70 108.98 1upn s SER 277 Ca -0.13 -0.83 0.14 0.00 0.48 0.00 0.00 55.95 55.61 1upn s SER 277 Cb 0.07 0.55 0.73 0.00 0.10 0.00 0.00 66.02 67.47 1upn s SER 277 CO 0.67 -1.07 1.33 0.00 0.98 0.00 0.00 173.24 175.15 1upn n ILE 278 N -0.34 0.46 0.07 -1.02 3.06 -1.26 -2.13 119.36 118.20 1upn n ILE 278 Ca -0.05 0.12 0.01 0.00 -2.50 0.00 0.00 62.75 60.33 1upn n ILE 278 Cb 0.62 -0.89 0.01 0.00 0.54 0.00 0.00 39.64 39.92 1upn n ILE 278 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1upn n THR 279 N -1.21 0.12 -1.98 9.51 -2.24 -1.26 -5.02 114.28 112.19 1upn n THR 279 Ca 0.08 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 1upn n THR 279 Cb 0.09 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 1upn n THR 279 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1upn s TYR 280 N -0.27 1.90 -0.15 4.78 5.04 -0.91 -4.96 117.35 122.78 1upn s TYR 280 Ca 0.03 0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.88 1upn s TYR 280 Cb 0.02 -3.97 0.05 0.00 0.35 0.00 0.00 41.96 38.41 1upn s TYR 280 CO 0.03 -3.76 0.04 0.42 -1.34 0.00 0.00 175.55 170.94 1upn s ILE 281 N 4.70 0.30 0.44 3.14 1.01 -1.26 -4.93 121.20 124.60 1upn s ILE 281 Ca 0.76 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.93 1upn s ILE 281 Cb -0.32 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.31 1upn s ILE 281 CO 0.31 -0.10 1.09 -0.81 0.00 0.00 0.00 174.94 175.44 1upn n PRO 282 N 5.14 1.48 -3.06 2.79 -0.04 -1.26 -4.95 135.00 135.11 1upn n PRO 282 Ca -0.08 0.53 -0.43 0.00 -0.04 0.00 0.00 63.50 63.48 1upn n PRO 282 Cb 0.48 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 1upn n PRO 282 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1upn s ASP 283 N -0.74 6.29 0.27 3.54 1.01 -1.26 -5.02 116.67 120.76 1upn s ASP 283 Ca 0.64 -0.54 0.03 0.00 0.71 0.00 0.00 52.55 53.39 1upn s ASP 283 Cb -0.52 -2.34 0.04 0.00 1.01 0.00 0.00 42.92 41.11 1upn s ASP 283 CO 0.56 -0.93 0.32 0.35 0.21 0.00 0.00 175.17 175.67 1upn n THR 284 N 5.86 0.00 -3.19 -1.27 -2.24 -1.26 -4.79 114.28 107.38 1upn n THR 284 Ca -0.02 -0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 60.98 1upn n THR 284 Cb 0.47 -0.88 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 1upn n THR 284 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1upn n VAL 285 N -1.55 -9.11 -3.64 2.28 0.31 -1.26 -5.04 118.33 100.32 1upn n VAL 285 Ca 0.06 -0.40 -0.14 0.00 -0.01 0.00 0.00 64.34 63.86 1upn n VAL 285 Cb 0.23 -6.33 -0.06 0.00 -0.91 0.00 0.00 33.84 26.76 1upn n VAL 285 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1upn s LYS 286 N -3.54 0.92 0.00 5.55 -2.85 -1.26 -4.99 119.74 113.57 1upn s LYS 286 Ca 0.08 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1upn s LYS 286 Cb -0.02 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1upn s LYS 286 CO 0.77 -0.31 0.24 -2.30 0.10 0.00 0.00 175.35 173.85 1upn n PRO 287 N 0.69 0.25 -1.79 1.78 -0.02 -1.26 -4.66 135.00 129.99 1upn n PRO 287 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.28 1upn n PRO 287 Cb 0.59 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1upn n PRO 287 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1upn n ASP 288 N 0.81 -3.39 0.00 2.55 9.92 -1.26 -5.31 116.55 119.87 1upn n ASP 288 Ca 0.00 0.27 0.08 0.00 -0.53 0.00 0.00 54.79 54.60 1upn n ASP 288 Cb 0.12 -2.01 0.45 0.00 -0.64 0.00 0.00 41.12 39.04 1upn n ASP 288 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85