#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upn s LEU 2 N 0.00 4.28 0.24 0.99 2.96 -1.26 -5.00 118.68 120.89 1upn s LEU 2 Ca 0.00 1.33 -0.31 0.00 -0.22 0.00 0.00 54.13 54.93 1upn s LEU 2 Cb 0.00 -3.29 -0.11 0.00 0.50 0.00 0.00 46.19 43.29 1upn s LEU 2 CO 0.00 -0.27 1.54 -2.84 -1.32 0.00 0.00 176.35 173.47 1upn s PRO 3 N 1.37 4.20 0.02 0.98 0.02 -1.26 -5.02 135.00 135.31 1upn s PRO 3 Ca 0.42 2.43 -0.02 0.00 0.02 0.00 0.00 61.00 63.86 1upn s PRO 3 Cb -0.18 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 1upn s PRO 3 CO 0.19 -0.56 0.00 0.08 -0.33 0.00 0.00 177.00 176.38 1upn s VAL 4 N 0.37 0.12 -0.07 3.83 1.01 -1.26 -5.16 120.40 119.25 1upn s VAL 4 Ca 0.64 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1upn s VAL 4 Cb -0.45 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1upn s VAL 4 CO 0.41 -0.56 -0.10 -0.63 0.00 0.00 0.00 175.10 174.23 1upn s ILE 5 N -1.85 0.96 0.03 2.22 1.09 -1.26 -5.13 121.20 117.25 1upn s ILE 5 Ca -0.12 -0.36 -0.25 0.00 -1.10 0.00 0.00 60.65 58.82 1upn s ILE 5 Cb -0.07 -0.91 -0.05 0.00 -1.06 0.00 0.00 42.46 40.37 1upn s ILE 5 CO -0.02 0.32 0.76 0.20 -0.10 0.00 0.00 174.94 176.10 1upn s ASN 6 N 0.86 7.18 0.34 3.58 -0.87 -1.26 -5.05 114.94 119.72 1upn s ASN 6 Ca -0.11 1.41 0.03 0.00 -1.57 0.00 0.00 52.86 52.62 1upn s ASN 6 Cb -0.15 -2.46 -0.02 0.00 -0.02 0.00 0.00 41.25 38.60 1upn s ASN 6 CO 0.01 -0.00 0.51 0.42 -2.57 0.00 0.00 177.10 175.47 1upn s THR 7 N 0.07 4.78 0.52 1.60 -4.23 -1.26 -5.00 115.64 112.12 1upn s THR 7 Ca 0.39 -0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 60.00 1upn s THR 7 Cb -0.20 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.84 1upn s THR 7 CO 0.22 -0.39 0.77 -2.65 -0.54 0.00 0.00 174.62 172.03 1upn n PRO 8 N -1.72 0.83 0.00 3.99 -0.02 -1.26 -1.96 135.00 134.86 1upn n PRO 8 Ca -0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1upn n PRO 8 Cb 0.57 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1upn n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upn n GLY 9 N 1.50 2.76 3.67 -1.23 0.00 -1.26 -5.05 105.19 105.59 1upn n GLY 9 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1upn n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1upn n SER 10 N 0.00 2.76 -0.04 1.61 7.64 -0.83 -1.78 113.62 122.98 1upn n SER 10 Ca 0.00 1.13 -0.01 0.00 1.01 0.00 0.00 58.87 61.01 1upn n SER 10 Cb 0.00 -1.42 -0.00 0.00 -1.01 0.00 0.00 64.21 61.78 1upn n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1upn n ASN 11 N 2.36 -4.14 -4.95 6.43 3.02 -1.26 -5.02 115.26 111.69 1upn n ASN 11 Ca 0.13 0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1upn n ASN 11 Cb 0.31 -1.69 0.02 0.00 -0.61 0.00 0.00 39.78 37.81 1upn n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1upn s GLN 12 N -0.89 3.00 -0.32 3.52 -2.07 -0.73 -5.06 119.66 117.11 1upn s GLN 12 Ca 0.00 -0.46 0.03 0.00 -1.82 0.00 0.00 55.36 53.12 1upn s GLN 12 Cb 0.00 -2.52 0.09 0.00 -1.09 0.00 0.00 33.01 29.49 1upn s GLN 12 CO 0.00 -0.37 0.02 0.12 -1.32 0.00 0.00 175.29 173.74 1upn s PHE 13 N -2.63 3.46 -0.32 9.60 5.36 -1.26 -5.07 117.98 127.12 1upn s PHE 13 Ca 0.50 -2.73 -0.12 0.00 -0.96 0.00 0.00 56.93 53.62 1upn s PHE 13 Cb -0.10 -2.59 -0.03 0.00 -0.34 0.00 0.00 43.02 39.97 1upn s PHE 13 CO 0.39 -0.92 0.22 -1.17 -1.46 0.00 0.00 175.22 172.28 1upn s LEU 14 N 1.01 4.34 0.39 6.12 2.96 -1.26 -4.98 118.68 127.27 1upn s LEU 14 Ca 0.06 -0.28 0.24 0.00 -0.22 0.00 0.00 54.13 53.93 1upn s LEU 14 Cb -0.19 -2.13 1.36 0.00 0.50 0.00 0.00 46.19 45.73 1upn s LEU 14 CO -0.09 -0.17 1.60 0.74 -1.32 0.00 0.00 176.35 177.11 1upn h THR 15 N 5.45 0.06 -0.57 3.68 2.02 -2.08 0.56 112.91 122.04 1upn h THR 15 Ca -0.33 -0.02 -0.24 0.00 0.77 0.00 0.00 66.41 66.59 1upn h THR 15 Cb 1.17 -0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.43 1upn h THR 15 CO 0.60 0.01 0.18 -1.54 0.37 0.00 0.00 175.52 175.15 1upn n SER 16 N -5.03 3.50 -3.62 4.18 3.41 -1.26 -5.00 113.62 109.80 1upn n SER 16 Ca 0.38 -3.50 -0.29 0.00 -0.26 0.00 0.00 58.87 55.19 1upn n SER 16 Cb 1.33 -0.69 0.23 0.00 -0.26 0.00 0.00 64.21 64.82 1upn n SER 16 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1upn n ASP 17 N -0.83 -1.48 -2.78 4.04 5.68 0.19 -5.04 116.55 116.32 1upn n ASP 17 Ca 0.39 -1.24 -0.05 0.00 -0.50 0.00 0.00 54.79 53.39 1upn n ASP 17 Cb 1.24 -0.99 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 1upn n ASP 17 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1upn n ASP 18 N -4.56 -3.32 -4.53 -1.12 2.03 -1.26 -5.10 116.55 98.69 1upn n ASP 18 Ca 0.15 -2.92 -0.25 0.00 0.52 0.00 0.00 54.79 52.29 1upn n ASP 18 Cb 0.57 1.68 -0.11 0.00 -0.72 0.00 0.00 41.12 42.54 1upn n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1upn s PHE 19 N 0.83 2.29 0.68 -0.67 0.08 -1.26 -5.14 117.98 114.78 1upn s PHE 19 Ca 0.30 -0.62 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 1upn s PHE 19 Cb 0.01 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1upn s PHE 19 CO -0.07 0.43 1.06 -0.65 -0.10 0.00 0.00 175.22 175.90 1upn s GLN 20 N -3.68 3.08 -0.10 0.44 -0.21 -1.26 -5.07 119.66 112.86 1upn s GLN 20 Ca 0.33 0.78 -0.21 0.00 0.02 0.00 0.00 55.36 56.28 1upn s GLN 20 Cb 0.05 -2.02 0.05 0.00 1.00 0.00 0.00 33.01 32.09 1upn s GLN 20 CO 0.16 -0.95 0.51 -1.54 -2.12 0.00 0.00 175.29 171.35 1upn s SER 21 N -4.02 -0.48 0.49 5.90 1.04 -1.26 -5.15 113.70 110.22 1upn s SER 21 Ca 0.57 0.67 -0.23 0.00 0.48 0.00 0.00 55.95 57.44 1upn s SER 21 Cb -0.13 0.69 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1upn s SER 21 CO 0.54 -0.39 1.35 -2.84 0.98 0.00 0.00 173.24 172.88 1upn s PRO 22 N -0.63 3.47 0.07 4.02 0.02 -1.26 -4.98 135.00 135.71 1upn s PRO 22 Ca -0.07 2.22 -0.19 0.00 0.02 0.00 0.00 61.00 62.97 1upn s PRO 22 Cb -0.03 -2.45 -0.07 0.00 0.02 0.00 0.00 34.50 31.98 1upn s PRO 22 CO 0.05 -0.92 0.57 0.45 -0.33 0.00 0.00 177.00 176.81 1upn s SER 23 N -0.85 7.06 0.00 2.53 0.15 -1.26 -4.94 113.70 116.39 1upn s SER 23 Ca 0.66 1.26 0.30 0.00 0.70 0.00 0.00 55.95 58.87 1upn s SER 23 Cb -0.40 -2.36 1.48 0.00 -1.71 0.00 0.00 66.02 63.03 1upn s SER 23 CO 0.49 0.26 1.99 0.00 1.20 0.00 0.00 173.24 177.18 1upn n ALA 24 N 1.78 2.65 -3.34 5.45 0.00 -1.26 -4.27 120.51 121.52 1upn n ALA 24 Ca -0.10 -0.31 -0.26 0.00 0.00 0.00 0.00 53.44 52.77 1upn n ALA 24 Cb 0.51 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 1upn n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1upn n MET 25 N -0.50 0.93 -1.66 0.00 2.81 -1.26 -5.10 117.12 112.33 1upn n MET 25 Ca 0.21 -3.52 -0.49 0.00 -1.81 0.00 0.00 57.70 52.08 1upn n MET 25 Cb 0.23 -1.58 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 1upn n MET 25 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1upn n PRO 26 N 1.76 1.84 -1.33 0.03 -0.02 -1.26 -2.25 135.00 133.77 1upn n PRO 26 Ca 0.25 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1upn n PRO 26 Cb 0.48 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 1upn n PRO 26 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1upn n GLN 27 N 4.39 -0.94 -1.72 -0.52 1.13 -1.26 -4.97 117.38 113.50 1upn n GLN 27 Ca 0.20 0.88 -0.42 0.00 -1.94 0.00 0.00 57.00 55.72 1upn n GLN 27 Cb 0.25 -4.92 -0.03 0.00 0.11 0.00 0.00 30.24 25.66 1upn n GLN 27 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1upn n PHE 28 N -2.59 2.73 -2.98 1.08 7.35 -0.95 -4.91 117.46 117.18 1upn n PHE 28 Ca -0.11 0.07 -0.44 0.00 -0.76 0.00 0.00 57.45 56.21 1upn n PHE 28 Cb 0.41 -2.66 -0.04 0.00 0.35 0.00 0.00 39.48 37.54 1upn n PHE 28 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1upn s ASP 29 N 1.09 6.18 0.54 -2.13 2.15 -1.26 -5.03 116.67 118.21 1upn s ASP 29 Ca 0.74 -1.20 -0.21 0.00 0.43 0.00 0.00 52.55 52.31 1upn s ASP 29 Cb -0.52 -2.36 -0.05 0.00 -0.30 0.00 0.00 42.92 39.69 1upn s ASP 29 CO 0.34 -1.28 1.29 0.54 -0.17 0.00 0.00 175.17 175.90 1upn s VAL 30 N 3.38 2.37 0.30 1.11 0.11 -1.26 -4.97 120.40 121.44 1upn s VAL 30 Ca 0.17 0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 59.20 1upn s VAL 30 Cb -0.20 -3.13 -0.10 0.00 -1.53 0.00 0.00 36.38 31.42 1upn s VAL 30 CO 0.08 -0.01 1.19 0.28 -3.33 0.00 0.00 175.10 173.31 1upn s THR 31 N -1.40 3.16 0.40 5.04 -1.32 -1.26 -4.94 115.64 115.33 1upn s THR 31 Ca 0.71 1.17 -0.23 0.00 -1.21 0.00 0.00 61.69 62.13 1upn s THR 31 Cb -0.36 -3.75 -0.12 0.00 -1.51 0.00 0.00 72.50 66.76 1upn s THR 31 CO 0.43 0.28 0.68 -2.65 -2.21 0.00 0.00 174.62 171.15 1upn n PRO 32 N 1.04 0.77 -2.54 7.08 -0.02 -1.26 -4.93 135.00 135.14 1upn n PRO 32 Ca -0.01 0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 1upn n PRO 32 Cb 0.43 -1.63 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 1upn n PRO 32 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1upn s GLU 33 N -1.66 3.93 -0.05 -0.52 2.12 -1.26 -5.04 118.70 116.23 1upn s GLU 33 Ca 0.63 1.42 0.04 0.00 0.36 0.00 0.00 54.97 57.43 1upn s GLU 33 Cb -0.62 -2.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.51 1upn s GLU 33 CO 0.58 -0.33 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.61 1upn s LEU 34 N -3.17 1.94 -1.17 2.70 2.96 -1.26 -5.08 118.68 115.60 1upn s LEU 34 Ca 0.64 -0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 53.95 1upn s LEU 34 Cb -0.19 -1.06 0.04 0.00 0.50 0.00 0.00 46.19 45.49 1upn s LEU 34 CO 0.23 0.16 1.66 0.21 -1.32 0.00 0.00 176.35 177.29 1upn s ASN 35 N 0.06 6.48 0.19 3.68 3.04 -1.26 -4.98 114.94 122.16 1upn s ASN 35 Ca -0.05 -1.93 -0.30 0.00 0.04 0.00 0.00 52.86 50.61 1upn s ASN 35 Cb -0.13 -2.58 -0.08 0.00 -1.54 0.00 0.00 41.25 36.93 1upn s ASN 35 CO 0.03 -1.53 0.95 -0.63 -3.04 0.00 0.00 177.10 172.88 1upn s ILE 36 N 5.35 4.23 0.77 -5.21 1.01 -1.26 -5.03 121.20 121.06 1upn s ILE 36 Ca 0.53 2.08 -0.12 0.00 0.00 0.00 0.00 60.65 63.15 1upn s ILE 36 Cb 0.02 -4.33 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1upn s ILE 36 CO 0.01 0.43 1.11 -2.84 0.00 0.00 0.00 174.94 173.66 1upn s PRO 37 N -0.74 2.15 -0.19 2.79 0.02 -1.26 -4.22 135.00 133.55 1upn s PRO 37 Ca 0.43 1.31 -0.01 0.00 0.02 0.00 0.00 61.00 62.75 1upn s PRO 37 Cb -0.25 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1upn s PRO 37 CO 0.31 -1.74 0.17 0.41 -0.33 0.00 0.00 177.00 175.82 1upn n GLY 38 N -0.74 0.61 3.70 0.52 0.00 -1.26 -5.00 105.19 103.02 1upn n GLY 38 Ca 0.10 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1upn n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1upn s GLU 39 N -4.89 4.47 0.04 1.61 2.12 -1.26 -5.02 118.70 115.78 1upn s GLU 39 Ca 0.06 1.57 -0.10 0.00 0.36 0.00 0.00 54.97 56.86 1upn s GLU 39 Cb -0.03 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1upn s GLU 39 CO 0.11 -0.21 0.37 0.08 -0.54 0.00 0.00 175.26 175.07 1upn s VAL 40 N 1.32 5.14 0.00 3.70 1.01 -1.26 -5.00 120.40 125.30 1upn s VAL 40 Ca 0.54 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1upn s VAL 40 Cb -0.24 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1upn s VAL 40 CO 0.26 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.74 1upn n GLN 41 N 1.18 2.37 -3.75 2.72 6.02 -1.26 -5.06 117.38 119.60 1upn n GLN 41 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 1upn n GLN 41 Cb 0.52 -0.81 -0.13 0.00 1.02 0.00 0.00 30.24 30.84 1upn n GLN 41 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1upn s ASN 42 N -1.76 -0.24 0.63 1.08 2.47 -1.26 -5.01 114.94 110.85 1upn s ASN 42 Ca 0.00 0.48 0.28 0.00 0.42 0.00 0.00 52.86 54.04 1upn s ASN 42 Cb 0.00 0.40 1.44 0.00 -1.45 0.00 0.00 41.25 41.64 1upn s ASN 42 CO 0.00 -0.14 1.84 -0.07 -3.72 0.00 0.00 177.10 175.00 1upn h LEU 43 N 6.88 0.00 -1.94 3.21 3.38 -2.02 0.37 115.31 125.19 1upn h LEU 43 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1upn h LEU 43 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1upn h LEU 43 CO 0.38 0.00 -0.11 0.24 0.09 0.00 0.00 178.44 179.04 1upn h MET 44 N 0.00 0.00 -0.84 1.13 2.86 -1.97 -0.77 114.93 115.33 1upn h MET 44 Ca 0.12 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1upn h MET 44 Cb 1.07 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 1upn h MET 44 CO -0.00 0.11 0.56 0.93 1.06 0.00 0.00 176.91 179.57 1upn h GLU 45 N 0.00 1.09 -0.21 1.72 5.08 -0.67 -0.86 114.58 120.74 1upn h GLU 45 Ca -0.00 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1upn h GLU 45 Cb 0.31 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1upn h GLU 45 CO 0.01 0.72 -0.27 0.82 -1.00 0.00 0.00 179.01 179.30 1upn h ILE 46 N 1.13 1.33 0.00 3.13 2.04 -1.29 -3.10 117.51 120.74 1upn h ILE 46 Ca 0.31 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1upn h ILE 46 Cb -0.11 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1upn h ILE 46 CO -0.07 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1upn h ALA 47 N 0.63 1.00 -0.00 1.87 0.00 -0.91 -1.63 119.26 120.21 1upn h ALA 47 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1upn h ALA 47 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1upn h ALA 47 CO 0.06 0.00 -0.10 0.39 0.00 0.00 0.00 179.25 179.60 1upn n GLU 48 N -2.71 0.70 -3.40 0.00 1.02 -0.37 -0.83 120.64 115.05 1upn n GLU 48 Ca -0.00 -0.24 -0.38 0.00 -0.02 0.00 0.00 57.16 56.52 1upn n GLU 48 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1upn n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1upn s VAL 49 N -2.46 5.10 0.44 2.62 1.01 -0.62 -4.51 120.40 121.99 1upn s VAL 49 Ca 0.29 0.90 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 1upn s VAL 49 Cb 0.20 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1upn s VAL 49 CO 0.47 0.44 1.37 -1.81 0.00 0.00 0.00 175.10 175.58 1upn s ASP 50 N -0.16 5.98 0.03 3.32 1.01 -1.26 -4.66 116.67 120.92 1upn s ASP 50 Ca 0.25 2.80 -0.03 0.00 0.71 0.00 0.00 52.55 56.27 1upn s ASP 50 Cb -0.16 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.11 1upn s ASP 50 CO 0.12 -1.09 0.03 -0.94 0.21 0.00 0.00 175.17 173.50 1upn s SER 51 N -0.65 0.21 -0.05 0.27 1.04 -1.04 -4.94 113.70 108.54 1upn s SER 51 Ca 0.61 -0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.22 1upn s SER 51 Cb -0.41 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 1upn s SER 51 CO 0.52 -0.41 1.19 -0.69 0.98 0.00 0.00 173.24 174.84 1upn s VAL 52 N -2.05 4.27 -0.07 5.02 1.01 -1.26 -1.99 120.40 125.33 1upn s VAL 52 Ca -0.10 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 1upn s VAL 52 Cb -0.05 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1upn s VAL 52 CO -0.03 0.01 0.88 -0.69 0.00 0.00 0.00 175.10 175.27 1upn s VAL 53 N 2.14 4.91 -1.44 2.92 1.01 0.11 -4.92 120.40 125.13 1upn s VAL 53 Ca 0.56 1.80 -0.12 0.00 0.00 0.00 0.00 61.98 64.22 1upn s VAL 53 Cb -0.25 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1upn s VAL 53 CO 0.22 0.14 2.27 -0.81 0.00 0.00 0.00 175.10 176.92 1upn n PRO 54 N 4.30 3.26 -0.12 2.72 -0.04 -1.25 -4.64 135.00 139.23 1upn n PRO 54 Ca 0.04 -2.80 0.05 0.00 -0.04 0.00 0.00 63.50 60.75 1upn n PRO 54 Cb 0.50 -3.09 0.37 0.00 -0.04 0.00 0.00 33.50 31.24 1upn n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1upn h VAL 55 N 3.70 1.07 -1.22 0.52 2.07 -1.78 -2.96 116.25 117.65 1upn h VAL 55 Ca 0.59 -0.25 -0.57 0.00 0.82 0.00 0.00 66.70 67.29 1upn h VAL 55 Cb 0.56 0.29 -0.21 0.00 -1.52 0.00 0.00 31.29 30.42 1upn h VAL 55 CO 1.79 0.13 0.63 -3.20 0.02 0.00 0.00 177.57 176.95 1upn n ASN 56 N -4.46 6.90 -3.29 0.57 4.05 -0.19 -4.79 115.26 114.05 1upn n ASN 56 Ca 0.08 -3.42 -0.37 0.00 0.45 0.00 0.00 54.58 51.31 1upn n ASN 56 Cb 0.14 -1.13 -0.03 0.00 1.23 0.00 0.00 39.78 39.99 1upn n ASN 56 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1upn n ASN 57 N 0.21 8.33 -4.91 1.20 2.04 -1.12 -4.18 115.26 116.83 1upn n ASN 57 Ca 0.49 -2.54 -0.29 0.00 -0.44 0.00 0.00 54.58 51.80 1upn n ASN 57 Cb 0.48 -1.51 -0.04 0.00 -2.53 0.00 0.00 39.78 36.19 1upn n ASN 57 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1upn s VAL 58 N 2.30 5.17 0.04 3.53 1.01 -1.26 -4.97 120.40 126.23 1upn s VAL 58 Ca 0.66 -0.13 -0.36 0.00 0.00 0.00 0.00 61.98 62.15 1upn s VAL 58 Cb 0.17 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.73 1upn s VAL 58 CO -0.06 -0.08 1.58 0.00 0.00 0.00 0.00 175.10 176.53 1upn n ALA 59 N -0.32 0.37 0.00 5.51 0.00 -1.26 -1.09 120.51 123.72 1upn n ALA 59 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1upn n ALA 59 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1upn n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upn n GLY 60 N 3.40 1.74 0.27 0.00 0.00 -1.26 -4.86 105.19 104.48 1upn n GLY 60 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1upn n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1upn n ASN 61 N 0.00 1.34 0.27 1.61 3.02 -0.25 -4.65 115.26 116.59 1upn n ASN 61 Ca 0.00 -1.17 0.12 0.00 -0.03 0.00 0.00 54.58 53.51 1upn n ASN 61 Cb 0.00 0.48 0.66 0.00 -0.61 0.00 0.00 39.78 40.31 1upn n ASN 61 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1upn h LEU 62 N 1.31 0.00 -4.35 3.41 3.38 -1.89 -2.21 115.31 114.95 1upn h LEU 62 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1upn h LEU 62 Cb 0.41 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.79 1upn h LEU 62 CO 0.00 0.00 -0.98 -0.62 0.09 0.00 0.00 178.44 176.93 1upn n GLU 63 N -2.57 1.86 -3.97 1.13 1.02 -1.26 -5.07 120.64 111.78 1upn n GLU 63 Ca -0.02 -3.38 -0.09 0.00 -0.02 0.00 0.00 57.16 53.66 1upn n GLU 63 Cb 0.32 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 1upn n GLU 63 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1upn s THR 64 N -3.25 0.13 -1.30 2.62 -4.23 -0.83 -5.03 115.64 103.75 1upn s THR 64 Ca 0.35 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1upn s THR 64 Cb 0.36 -0.71 0.01 0.00 1.34 0.00 0.00 72.50 73.49 1upn s THR 64 CO -0.05 -0.61 0.87 0.23 -0.54 0.00 0.00 174.62 174.52 1upn n MET 65 N 1.04 0.00 -0.18 3.99 2.81 -1.26 -3.00 117.12 120.52 1upn n MET 65 Ca -0.20 0.34 -0.05 0.00 -1.81 0.00 0.00 57.70 55.98 1upn n MET 65 Cb 0.57 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 31.71 1upn n MET 65 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1upn h ASP 66 N 0.00 0.89 -0.44 7.83 3.32 -1.95 -2.84 116.42 123.23 1upn h ASP 66 Ca 0.00 -0.18 0.13 0.00 0.02 0.00 0.00 57.03 56.99 1upn h ASP 66 Cb 0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1upn h ASP 66 CO 0.00 0.88 0.68 -0.29 -1.72 0.00 0.00 179.24 178.79 1upn h ILE 67 N 0.90 0.16 -0.01 0.35 2.10 -1.70 0.64 117.51 119.95 1upn h ILE 67 Ca 0.19 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.13 1upn h ILE 67 Cb 0.36 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 1upn h ILE 67 CO 0.00 0.00 -0.45 -1.22 -1.08 0.00 0.00 178.15 175.41 1upn n TYR 68 N -3.29 0.00 -3.68 2.19 4.02 -1.07 -1.02 117.16 114.30 1upn n TYR 68 Ca 0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.61 1upn n TYR 68 Cb 0.84 -0.11 -0.11 0.00 -0.02 0.00 0.00 39.34 39.94 1upn n TYR 68 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1upn s ARG 69 N -2.66 3.89 -0.36 -0.72 0.52 0.22 -4.53 118.95 115.31 1upn s ARG 69 Ca 0.18 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 1upn s ARG 69 Cb 0.18 -3.51 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 1upn s ARG 69 CO 0.61 -0.10 0.43 0.42 0.02 0.00 0.00 175.30 176.68 1upn s ILE 70 N 1.48 5.10 0.10 1.52 1.01 -0.16 -4.68 121.20 125.58 1upn s ILE 70 Ca 0.07 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.51 1upn s ILE 70 Cb -0.15 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 1upn s ILE 70 CO 0.07 -0.19 1.37 -2.84 0.00 0.00 0.00 174.94 173.35 1upn s PRO 71 N 2.18 4.33 0.01 2.79 0.02 -1.26 -0.44 135.00 142.63 1upn s PRO 71 Ca 0.14 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 1upn s PRO 71 Cb -0.16 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1upn s PRO 71 CO 0.13 -0.43 0.14 0.54 -0.33 0.00 0.00 177.00 177.05 1upn s VAL 72 N 1.19 0.09 0.21 3.83 0.11 -0.64 -4.96 120.40 120.23 1upn s VAL 72 Ca 0.64 -0.72 -0.15 0.00 -2.93 0.00 0.00 61.98 58.81 1upn s VAL 72 Cb -0.36 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1upn s VAL 72 CO 0.30 -0.40 0.50 0.00 -3.33 0.00 0.00 175.10 172.17 1upn s GLN 73 N -1.51 1.44 0.88 1.54 -2.07 -1.26 -1.71 119.66 116.96 1upn s GLN 73 Ca -0.14 -1.04 -0.11 0.00 -1.82 0.00 0.00 55.36 52.26 1upn s GLN 73 Cb -0.07 0.49 0.12 0.00 -1.09 0.00 0.00 33.01 32.46 1upn s GLN 73 CO 0.01 -0.60 1.10 0.45 -1.32 0.00 0.00 175.29 174.93 1upn s SER 74 N -2.93 3.51 0.00 12.60 0.15 -0.34 -4.13 113.70 122.56 1upn s SER 74 Ca 0.14 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.56 1upn s SER 74 Cb -0.01 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1upn s SER 74 CO 0.02 -2.66 0.00 0.61 1.20 0.00 0.00 173.24 172.41 1upn n GLY 75 N -0.70 -0.06 3.56 9.45 0.00 -1.24 -4.87 105.19 111.33 1upn n GLY 75 Ca 0.08 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1upn n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1upn s ASN 76 N -1.07 6.41 -0.03 1.61 3.84 -1.26 -4.61 114.94 119.83 1upn s ASN 76 Ca 0.00 -0.06 0.07 0.00 0.21 0.00 0.00 52.86 53.08 1upn s ASN 76 Cb 0.00 -2.51 0.12 0.00 -0.55 0.00 0.00 41.25 38.31 1upn s ASN 76 CO 0.00 -1.37 1.05 1.41 -2.79 0.00 0.00 177.10 175.40 1upn n HIS 77 N 8.03 0.00 -0.26 0.43 8.25 -1.26 -4.95 115.22 125.45 1upn n HIS 77 Ca 0.06 -0.27 0.07 0.00 -0.26 0.00 0.00 57.72 57.32 1upn n HIS 77 Cb 0.48 -0.09 0.20 0.00 1.12 0.00 0.00 29.99 31.71 1upn n HIS 77 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1upn h GLN 78 N 0.16 0.20 -0.00 -0.41 4.15 -1.91 -0.73 115.11 116.57 1upn h GLN 78 Ca -0.03 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1upn h GLN 78 Cb 1.39 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.03 1upn h GLN 78 CO 0.01 0.13 -0.07 0.66 -1.93 0.00 0.00 178.83 177.64 1upn h SER 79 N 0.21 0.01 -2.95 -0.69 4.64 -1.95 -3.41 113.55 109.40 1upn h SER 79 Ca 0.45 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.20 1upn h SER 79 Cb 0.81 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 1upn h SER 79 CO -0.59 0.08 0.85 -0.55 -0.87 0.00 0.00 176.83 175.75 1upn s SER 80 N -7.04 6.97 0.26 4.97 0.15 -0.28 -4.98 113.70 113.74 1upn s SER 80 Ca -0.05 1.73 -0.29 0.00 0.70 0.00 0.00 55.95 58.04 1upn s SER 80 Cb 0.16 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 1upn s SER 80 CO 0.68 -0.72 0.95 -1.58 1.20 0.00 0.00 173.24 173.77 1upn s GLN 81 N 3.17 4.80 0.06 5.44 0.74 -1.26 -4.58 119.66 128.03 1upn s GLN 81 Ca 0.55 1.48 -0.16 0.00 0.05 0.00 0.00 55.36 57.29 1upn s GLN 81 Cb -0.23 -3.20 -0.18 0.00 1.10 0.00 0.00 33.01 30.51 1upn s GLN 81 CO 0.17 0.46 1.24 0.28 -0.55 0.00 0.00 175.29 176.89 1upn h VAL 82 N 3.06 1.34 -2.15 1.34 2.07 -1.25 -3.49 116.25 117.16 1upn h VAL 82 Ca -0.45 -1.92 0.25 0.00 0.82 0.00 0.00 66.70 65.39 1upn h VAL 82 Cb 1.20 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 33.07 1upn h VAL 82 CO 0.67 0.59 0.70 0.72 0.02 0.00 0.00 177.57 180.27 1upn s PHE 83 N -3.64 -0.00 -0.16 1.57 -0.12 -1.24 -4.91 117.98 109.48 1upn s PHE 83 Ca -0.12 -0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 56.21 1upn s PHE 83 Cb 0.06 0.62 0.14 0.00 -0.63 0.00 0.00 43.02 43.21 1upn s PHE 83 CO 0.86 -0.61 1.08 0.20 -0.05 0.00 0.00 175.22 176.70 1upn s GLY 84 N -3.32 -0.24 -0.01 1.99 0.00 -1.26 -1.55 107.32 102.94 1upn s GLY 84 Ca 0.20 1.96 -0.28 0.00 0.00 0.00 0.00 44.72 46.60 1upn s GLY 84 CO 0.01 0.87 0.83 -0.11 0.00 0.00 0.00 173.10 174.71 1upn s PHE 85 N -1.57 -0.42 0.52 1.90 -0.12 -0.65 -5.00 117.98 112.65 1upn s PHE 85 Ca 0.03 0.41 -0.18 0.00 -0.05 0.00 0.00 56.93 57.14 1upn s PHE 85 Cb -0.01 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.83 1upn s PHE 85 CO -0.02 -0.57 1.02 -0.65 -0.05 0.00 0.00 175.22 174.94 1upn s GLN 86 N -2.68 3.72 -1.16 1.99 -0.21 -1.26 -1.98 119.66 118.08 1upn s GLN 86 Ca 0.01 1.17 -0.10 0.00 0.02 0.00 0.00 55.36 56.47 1upn s GLN 86 Cb -0.01 -2.09 0.24 0.00 1.00 0.00 0.00 33.01 32.15 1upn s GLN 86 CO -0.06 -0.48 1.35 0.28 -2.12 0.00 0.00 175.29 174.26 1upn n VAL 87 N -1.46 4.58 -3.66 1.09 0.31 0.40 -4.81 118.33 114.78 1upn n VAL 87 Ca 0.08 -5.18 -0.27 0.00 -0.01 0.00 0.00 64.34 58.96 1upn n VAL 87 Cb 0.53 -2.45 -0.11 0.00 -0.91 0.00 0.00 33.84 30.90 1upn n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1upn n GLN 88 N 3.46 1.24 -0.34 5.55 6.02 -1.26 -4.36 117.38 127.69 1upn n GLN 88 Ca 0.30 -3.98 0.30 0.00 -0.01 0.00 0.00 57.00 53.61 1upn n GLN 88 Cb 0.39 -2.02 0.64 0.00 1.02 0.00 0.00 30.24 30.27 1upn n GLN 88 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1upn h PRO 89 N 5.33 0.17 -0.01 -1.09 0.13 -1.90 -1.47 132.00 133.16 1upn h PRO 89 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1upn h PRO 89 Cb 0.81 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1upn h PRO 89 CO 0.59 0.11 -0.69 0.41 -0.23 0.00 0.00 178.00 178.20 1upn n GLY 90 N -1.62 -0.44 0.51 1.56 0.00 -1.26 -3.59 105.19 100.34 1upn n GLY 90 Ca 0.27 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1upn n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1upn n LEU 91 N -0.89 1.36 -4.77 0.99 7.94 -0.61 -4.58 117.00 116.44 1upn n LEU 91 Ca 0.05 0.07 -0.39 0.00 -1.11 0.00 0.00 56.01 54.63 1upn n LEU 91 Cb 0.34 -0.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 1upn n LEU 91 CO 0.32 0.34 0.85 -0.62 -1.11 0.00 0.00 177.39 177.17 1upn s ASP 92 N -5.61 6.85 0.43 1.96 -1.08 -0.87 -4.70 116.67 113.65 1upn s ASP 92 Ca -0.14 2.39 0.25 0.00 -0.52 0.00 0.00 52.55 54.54 1upn s ASP 92 Cb 0.05 -2.63 1.29 0.00 -1.46 0.00 0.00 42.92 40.17 1upn s ASP 92 CO 0.19 -0.45 1.71 1.23 0.52 0.00 0.00 175.17 178.37 1upn h GLY 93 N 3.21 1.11 1.50 2.66 0.00 -1.96 0.15 103.07 109.74 1upn h GLY 93 Ca -0.48 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 46.75 1upn h GLY 93 CO 0.65 -0.23 0.25 -2.08 0.00 0.00 0.00 176.54 175.13 1upn h VAL 94 N 0.22 0.99 0.00 4.60 2.07 -1.91 -3.34 116.25 118.89 1upn h VAL 94 Ca 0.69 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.97 1upn h VAL 94 Cb 2.05 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1upn h VAL 94 CO -0.31 0.06 -1.47 0.49 0.02 0.00 0.00 177.57 176.36 1upn n PHE 95 N -4.48 0.00 -0.41 1.57 3.72 0.40 -3.88 117.46 114.38 1upn n PHE 95 Ca 0.04 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.78 1upn n PHE 95 Cb 0.20 -0.33 0.65 0.00 -0.94 0.00 0.00 39.48 39.06 1upn n PHE 95 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1upn h LYS 96 N 0.00 0.14 -0.62 -1.08 2.10 -1.22 -0.52 116.57 115.37 1upn h LYS 96 Ca -0.18 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1upn h LYS 96 Cb 1.35 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1upn h LYS 96 CO -0.01 0.09 0.00 0.72 -2.00 0.00 0.00 179.45 178.25 1upn n HIS 97 N -4.47 1.53 -1.60 0.07 8.25 -1.26 -2.44 115.22 115.30 1upn n HIS 97 Ca 0.32 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.85 1upn n HIS 97 Cb 1.30 -0.28 0.09 0.00 1.12 0.00 0.00 29.99 32.22 1upn n HIS 97 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1upn s THR 98 N -1.99 2.98 0.10 1.59 2.01 -0.20 -4.72 115.64 115.41 1upn s THR 98 Ca 0.51 0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 1upn s THR 98 Cb 0.34 -3.10 -0.11 0.00 0.01 0.00 0.00 72.50 69.65 1upn s THR 98 CO 0.23 -0.41 1.69 0.25 -0.69 0.00 0.00 174.62 175.68 1upn h LEU 99 N -1.08 -0.36 -1.02 4.42 5.85 -1.91 0.12 115.31 121.34 1upn h LEU 99 Ca -0.47 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.35 1upn h LEU 99 Cb 1.27 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 1upn h LEU 99 CO 0.60 -0.19 0.65 0.25 -0.34 0.00 0.00 178.44 179.41 1upn h LEU 100 N -0.26 1.05 -0.21 2.25 5.85 -1.86 -2.61 115.31 119.52 1upn h LEU 100 Ca 0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1upn h LEU 100 Cb 0.28 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1upn h LEU 100 CO -0.07 0.68 -0.09 1.23 -0.34 0.00 0.00 178.44 179.85 1upn h GLY 101 N 1.20 0.47 1.07 3.75 0.00 -1.55 -1.17 103.07 106.82 1upn h GLY 101 Ca 0.42 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1upn h GLY 101 CO -0.16 0.38 0.61 0.83 0.00 0.00 0.00 176.54 178.20 1upn h GLU 102 N 0.14 1.19 -0.17 4.80 4.39 -0.43 -1.27 114.58 123.24 1upn h GLU 102 Ca 0.05 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1upn h GLU 102 Cb 0.58 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1upn h GLU 102 CO 0.03 0.79 -0.07 0.82 -1.16 0.00 0.00 179.01 179.42 1upn h ILE 103 N 1.23 1.30 -0.63 3.13 1.08 -1.39 -2.86 117.51 119.37 1upn h ILE 103 Ca 0.34 -1.09 0.13 0.00 -0.39 0.00 0.00 64.86 63.85 1upn h ILE 103 Cb -0.11 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 1upn h ILE 103 CO -0.08 0.32 0.43 -0.07 -0.69 0.00 0.00 178.15 178.06 1upn h LEU 104 N 0.04 0.29 0.00 1.44 4.07 -0.58 -1.69 115.31 118.87 1upn h LEU 104 Ca 0.04 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1upn h LEU 104 Cb 0.53 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1upn h LEU 104 CO 0.02 0.16 0.00 0.59 -1.08 0.00 0.00 178.44 178.13 1upn n ASN 105 N -4.45 0.00 -1.08 -0.43 3.02 -0.54 -1.13 115.26 110.65 1upn n ASN 105 Ca 0.11 -0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1upn n ASN 105 Cb 0.48 -0.16 0.22 0.00 -0.61 0.00 0.00 39.78 39.70 1upn n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1upn n TYR 106 N -1.16 0.40 -4.31 3.10 4.01 -0.64 -4.05 117.16 114.51 1upn n TYR 106 Ca 0.08 -0.20 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 1upn n TYR 106 Cb 0.08 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 1upn n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1upn s TYR 107 N -1.60 1.48 -0.36 -0.72 1.51 -0.28 -1.34 117.35 116.05 1upn s TYR 107 Ca 0.37 -0.99 0.13 0.00 -1.01 0.00 0.00 57.07 55.57 1upn s TYR 107 Cb 0.22 -0.86 -0.17 0.00 -0.11 0.00 0.00 41.96 41.04 1upn s TYR 107 CO 0.31 -0.13 0.43 0.00 -1.11 0.00 0.00 175.55 175.06 1upn n ALA 108 N -0.39 3.17 -2.68 3.71 0.00 -0.08 -4.71 120.51 119.53 1upn n ALA 108 Ca -0.05 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 1upn n ALA 108 Cb 0.64 -0.46 -0.13 0.00 0.00 0.00 0.00 19.45 19.50 1upn n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1upn s HIS 109 N -2.49 1.08 0.07 0.00 3.76 -0.75 -1.59 115.29 115.36 1upn s HIS 109 Ca 0.01 -0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 1upn s HIS 109 Cb 0.09 -0.65 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1upn s HIS 109 CO 0.53 0.01 0.07 1.67 -0.85 0.00 0.00 174.74 176.17 1upn s TRP 110 N -0.79 0.37 -0.25 1.40 1.48 -0.39 -1.34 118.94 119.42 1upn s TRP 110 Ca 0.01 -0.86 -0.26 0.00 -1.06 0.00 0.00 56.10 53.93 1upn s TRP 110 Cb -0.07 -0.24 0.08 0.00 -1.16 0.00 0.00 33.47 32.07 1upn s TRP 110 CO 0.01 -0.46 0.77 0.45 -4.06 0.00 0.00 176.95 173.67 1upn s SER 111 N -2.90 -0.68 0.00 -2.66 0.15 -0.92 -0.47 113.70 106.22 1upn s SER 111 Ca 0.07 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1upn s SER 111 Cb 0.07 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1upn s SER 111 CO -0.10 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1upn n GLY 112 N 2.41 3.18 3.89 9.45 0.00 -1.26 -1.03 105.19 121.83 1upn n GLY 112 Ca -0.14 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 1upn n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upn s SER 113 N 0.00 6.52 0.03 1.61 0.01 -1.26 -4.47 113.70 116.13 1upn s SER 113 Ca 0.00 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.17 1upn s SER 113 Cb 0.00 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1upn s SER 113 CO 0.00 -0.16 -0.23 -0.63 0.41 0.00 0.00 173.24 172.63 1upn s ILE 114 N -2.00 1.81 -0.16 1.44 1.01 -0.96 -1.48 121.20 120.86 1upn s ILE 114 Ca 0.46 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1upn s ILE 114 Cb -0.11 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1upn s ILE 114 CO 0.27 0.34 -0.03 -0.54 0.00 0.00 0.00 174.94 174.97 1upn s LYS 115 N -0.99 3.67 -0.28 2.79 1.02 0.53 0.34 119.74 126.82 1upn s LYS 115 Ca 0.09 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 1upn s LYS 115 Cb -0.09 -2.96 0.05 0.00 -0.52 0.00 0.00 37.83 34.31 1upn s LYS 115 CO 0.01 0.20 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.10 1upn s LEU 116 N 0.48 3.65 -0.20 3.17 1.43 -0.19 -1.17 118.68 125.84 1upn s LEU 116 Ca -0.03 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.78 1upn s LEU 116 Cb -0.14 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1upn s LEU 116 CO 0.03 -0.22 0.12 -0.89 0.23 0.00 0.00 176.35 175.62 1upn s THR 117 N 1.24 5.33 -0.13 5.49 2.01 0.46 -0.61 115.64 129.44 1upn s THR 117 Ca -0.05 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 1upn s THR 117 Cb -0.19 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1upn s THR 117 CO -0.03 0.44 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.86 1upn s PHE 118 N 0.40 2.84 -0.09 4.92 0.08 0.85 -0.55 117.98 126.43 1upn s PHE 118 Ca 0.07 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.62 1upn s PHE 118 Cb -0.11 -1.84 -0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1upn s PHE 118 CO -0.01 -0.15 -0.23 0.54 -0.10 0.00 0.00 175.22 175.27 1upn s VAL 119 N 0.25 1.99 -0.09 -0.44 0.11 -0.52 -0.45 120.40 121.25 1upn s VAL 119 Ca -0.08 -0.99 -0.22 0.00 -2.93 0.00 0.00 61.98 57.76 1upn s VAL 119 Cb -0.15 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1upn s VAL 119 CO 0.05 0.55 0.65 0.12 -3.33 0.00 0.00 175.10 173.14 1upn s PHE 120 N 0.27 3.54 -0.22 1.54 5.36 -0.56 -1.09 117.98 126.82 1upn s PHE 120 Ca -0.16 1.14 0.11 0.00 -0.96 0.00 0.00 56.93 57.06 1upn s PHE 120 Cb -0.17 -2.76 0.43 0.00 -0.34 0.00 0.00 43.02 40.18 1upn s PHE 120 CO 0.08 0.07 1.24 0.00 -1.46 0.00 0.00 175.22 175.14 1upn n GLY 122 N -1.10 -0.41 3.72 0.00 0.00 -1.26 -4.57 105.19 101.56 1upn n GLY 122 Ca 0.21 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1upn n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1upn s SER 123 N -2.51 3.53 0.43 1.61 1.04 -1.26 -4.92 113.70 111.61 1upn s SER 123 Ca 0.24 1.57 0.21 0.00 0.48 0.00 0.00 55.95 58.44 1upn s SER 123 Cb -0.01 -2.24 0.98 0.00 0.10 0.00 0.00 66.02 64.85 1upn s SER 123 CO 0.16 -2.62 1.88 0.00 0.98 0.00 0.00 173.24 173.65 1upn h ALA 124 N -1.53 1.19 0.00 5.32 0.00 -2.00 -2.51 119.26 119.73 1upn h ALA 124 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1upn h ALA 124 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1upn h ALA 124 CO 0.53 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.79 1upn n MET 125 N -3.69 0.25 -2.18 0.00 2.81 -1.26 -4.83 117.12 108.22 1upn n MET 125 Ca -0.01 0.03 -0.33 0.00 -1.81 0.00 0.00 57.70 55.59 1upn n MET 125 Cb 0.38 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.39 1upn n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1upn s ALA 126 N -2.72 2.85 0.06 3.04 0.00 -0.95 -4.43 121.76 119.62 1upn s ALA 126 Ca 0.21 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 1upn s ALA 126 Cb 0.18 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1upn s ALA 126 CO 0.44 -0.60 0.05 -0.08 0.00 0.00 0.00 175.76 175.57 1upn s THR 127 N -2.50 0.18 0.00 0.00 -1.32 -0.76 -4.92 115.64 106.33 1upn s THR 127 Ca 0.62 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1upn s THR 127 Cb -0.14 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 1upn s THR 127 CO 0.35 -0.83 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 1upn n GLY 128 N 0.21 3.24 3.10 6.08 0.00 -1.26 -1.86 105.19 114.70 1upn n GLY 128 Ca -0.15 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1upn n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upn s LYS 129 N -2.03 1.65 0.27 1.61 1.02 -1.26 -0.87 119.74 120.13 1upn s LYS 129 Ca 0.00 -0.54 0.12 0.00 0.02 0.00 0.00 55.97 55.57 1upn s LYS 129 Cb 0.00 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 1upn s LYS 129 CO 0.00 0.19 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.39 1upn s PHE 130 N 0.15 2.35 -0.20 3.18 0.08 -0.53 -0.65 117.98 122.35 1upn s PHE 130 Ca -0.05 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 1upn s PHE 130 Cb -0.12 -1.04 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 1upn s PHE 130 CO 0.02 0.68 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.51 1upn s LEU 131 N -3.42 2.45 -0.30 -0.37 0.20 0.98 -0.96 118.68 117.27 1upn s LEU 131 Ca 0.29 -0.56 -0.08 0.00 0.69 0.00 0.00 54.13 54.47 1upn s LEU 131 Cb -0.06 -1.59 -0.00 0.00 -0.43 0.00 0.00 46.19 44.12 1upn s LEU 131 CO 0.15 -0.01 0.11 -0.76 -0.29 0.00 0.00 176.35 175.55 1upn s LEU 132 N 1.36 3.95 0.04 -0.68 1.43 -0.44 -0.97 118.68 123.37 1upn s LEU 132 Ca 0.05 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1upn s LEU 132 Cb -0.14 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1upn s LEU 132 CO -0.09 -0.18 -0.23 0.00 0.23 0.00 0.00 176.35 176.07 1upn s ALA 133 N 1.56 1.98 -0.10 4.21 0.00 -0.35 -1.62 121.76 127.44 1upn s ALA 133 Ca 0.04 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1upn s ALA 133 Cb -0.17 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.54 1upn s ALA 133 CO 0.04 0.46 -0.20 -0.47 0.00 0.00 0.00 175.76 175.60 1upn s TYR 134 N -0.77 2.25 -0.22 0.00 5.04 0.16 -0.78 117.35 123.04 1upn s TYR 134 Ca 0.09 -0.98 -0.03 0.00 -2.44 0.00 0.00 57.07 53.71 1upn s TYR 134 Cb -0.09 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.67 1upn s TYR 134 CO 0.02 -0.44 -0.07 0.00 -1.34 0.00 0.00 175.55 173.72 1upn s ALA 135 N 0.63 2.73 0.78 3.97 0.00 0.38 -1.63 121.76 128.62 1upn s ALA 135 Ca -0.13 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1upn s ALA 135 Cb -0.16 -1.64 0.07 0.00 0.00 0.00 0.00 23.12 21.39 1upn s ALA 135 CO 0.04 -0.48 1.12 -2.14 0.00 0.00 0.00 175.76 174.29 1upn s PRO 136 N 1.43 2.05 1.17 0.00 0.02 -1.26 -2.23 135.00 136.17 1upn s PRO 136 Ca 0.05 1.33 -0.17 0.00 0.02 0.00 0.00 61.00 62.23 1upn s PRO 136 Cb -0.14 -1.86 0.19 0.00 0.02 0.00 0.00 34.50 32.71 1upn s PRO 136 CO -0.05 -1.82 0.41 -0.35 -0.33 0.00 0.00 177.00 174.86 1upn n PRO 137 N -3.46 -2.17 0.00 5.54 -0.04 -1.26 -4.56 135.00 129.05 1upn n PRO 137 Ca 0.10 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1upn n PRO 137 Cb 0.52 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1upn n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1upn n GLY 138 N 1.68 1.90 3.28 0.55 0.00 -1.26 -4.99 105.19 106.35 1upn n GLY 138 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1upn n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upn s ALA 139 N -2.13 0.97 0.65 4.61 0.00 -1.26 -5.15 121.76 119.45 1upn s ALA 139 Ca 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 1upn s ALA 139 Cb 0.00 1.34 0.02 0.00 0.00 0.00 0.00 23.12 24.47 1upn s ALA 139 CO 0.00 -0.64 1.00 -0.80 0.00 0.00 0.00 175.76 175.32 1upn s ASN 140 N -3.15 5.45 0.21 0.00 0.01 -1.26 -4.97 114.94 111.24 1upn s ASN 140 Ca 0.36 0.89 -0.32 0.00 -0.71 0.00 0.00 52.86 53.08 1upn s ASN 140 Cb 0.05 -1.76 -0.14 0.00 0.41 0.00 0.00 41.25 39.81 1upn s ASN 140 CO 0.13 -1.24 1.29 0.00 -1.51 0.00 0.00 177.10 175.77 1upn n ALA 141 N -2.81 0.27 -1.64 0.60 0.00 -1.26 -4.84 120.51 110.82 1upn n ALA 141 Ca 0.06 0.43 -0.44 0.00 0.00 0.00 0.00 53.44 53.49 1upn n ALA 141 Cb 0.58 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 1upn n ALA 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1upn n PRO 142 N 1.89 1.74 -0.10 0.00 -0.04 -1.26 -4.88 135.00 132.36 1upn n PRO 142 Ca 0.13 0.61 0.10 0.00 -0.04 0.00 0.00 63.50 64.30 1upn n PRO 142 Cb 0.28 -2.11 0.14 0.00 -0.04 0.00 0.00 33.50 31.77 1upn n PRO 142 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1upn n LYS 143 N 0.89 2.02 -3.75 0.54 4.01 -1.26 -4.92 118.16 115.69 1upn n LYS 143 Ca 0.08 -1.90 -0.10 0.00 -0.51 0.00 0.00 58.31 55.88 1upn n LYS 143 Cb 0.33 -1.40 -0.04 0.00 -0.51 0.00 0.00 35.03 33.41 1upn n LYS 143 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1upn s SER 144 N -1.42 -0.21 0.34 4.39 1.04 -1.26 -5.03 113.70 111.55 1upn s SER 144 Ca 0.28 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1upn s SER 144 Cb 0.18 0.53 0.60 0.00 0.10 0.00 0.00 66.02 67.43 1upn s SER 144 CO 0.25 -0.99 1.90 -0.09 0.98 0.00 0.00 173.24 175.30 1upn h ARG 145 N 2.29 0.62 -0.21 4.02 2.43 -1.93 -1.82 114.38 119.78 1upn h ARG 145 Ca -0.30 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1upn h ARG 145 Cb 1.26 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 1upn h ARG 145 CO 0.41 0.57 -0.16 -0.22 -1.51 0.00 0.00 179.97 179.06 1upn h LYS 146 N 0.61 -0.15 -0.14 0.20 1.63 -2.00 -0.25 116.57 116.46 1upn h LYS 146 Ca 0.14 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.86 1upn h LYS 146 Cb 0.23 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1upn h LYS 146 CO -0.00 -0.10 -0.31 -0.44 -3.45 0.00 0.00 179.45 175.15 1upn h ASP 147 N -0.16 0.28 0.23 4.20 3.32 -1.87 -3.13 116.42 119.28 1upn h ASP 147 Ca 0.12 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 1upn h ASP 147 Cb 0.34 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1upn h ASP 147 CO -0.31 0.58 -0.78 0.00 -1.72 0.00 0.00 179.24 177.02 1upn h ALA 148 N 1.44 0.52 0.00 3.45 0.00 -0.48 -3.09 119.26 121.11 1upn h ALA 148 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1upn h ALA 148 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1upn h ALA 148 CO 0.05 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1upn n MET 149 N -3.83 0.39 0.01 0.00 0.00 -0.19 -2.09 117.12 111.40 1upn n MET 149 Ca -0.05 0.07 0.14 0.00 0.00 0.00 0.00 57.70 57.86 1upn n MET 149 Cb 0.74 -1.50 0.59 0.00 0.00 0.00 0.00 33.22 33.04 1upn n MET 149 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1upn n LEU 150 N -1.17 0.07 0.00 3.17 4.77 -1.17 -4.85 117.00 117.82 1upn n LEU 150 Ca 0.11 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1upn n LEU 150 Cb 0.11 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1upn n LEU 150 CO 0.12 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1upn n GLY 151 N 1.49 2.69 3.73 -0.72 0.00 -0.89 -5.07 105.19 106.42 1upn n GLY 151 Ca 0.07 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1upn n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1upn s THR 152 N 1.25 3.39 0.07 2.61 2.01 -0.65 -4.86 115.64 119.46 1upn s THR 152 Ca 0.00 1.07 -0.26 0.00 0.31 0.00 0.00 61.69 62.81 1upn s THR 152 Cb 0.00 -3.69 0.09 0.00 0.01 0.00 0.00 72.50 68.91 1upn s THR 152 CO 0.00 0.13 0.75 -1.38 -0.69 0.00 0.00 174.62 173.43 1upn s HIS 153 N 0.54 -0.44 0.14 4.92 -0.00 -1.26 0.41 115.29 119.60 1upn s HIS 153 Ca 0.59 0.30 0.08 0.00 -0.00 0.00 0.00 55.06 56.03 1upn s HIS 153 Cb -0.35 0.54 -0.04 0.00 -0.00 0.00 0.00 32.58 32.73 1upn s HIS 153 CO 0.34 -0.68 -0.19 0.42 -0.00 0.00 0.00 174.74 174.63 1upn s ILE 154 N -3.31 1.74 -0.22 -5.38 1.01 -0.64 -4.98 121.20 109.42 1upn s ILE 154 Ca 0.03 -1.77 -0.03 0.00 0.00 0.00 0.00 60.65 58.87 1upn s ILE 154 Cb -0.01 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 1upn s ILE 154 CO -0.10 -0.24 -0.05 -0.63 0.00 0.00 0.00 174.94 173.92 1upn s ILE 155 N -1.75 3.26 -0.24 2.92 1.01 -1.26 -1.33 121.20 123.81 1upn s ILE 155 Ca 0.12 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1upn s ILE 155 Cb -0.07 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1upn s ILE 155 CO 0.05 0.40 0.21 0.86 0.00 0.00 0.00 174.94 176.47 1upn s TRP 156 N 1.46 3.31 -0.31 3.97 -0.00 -0.14 -4.96 118.94 122.27 1upn s TRP 156 Ca 0.05 0.28 -0.09 0.00 -0.00 0.00 0.00 56.10 56.33 1upn s TRP 156 Cb -0.14 -2.33 -0.01 0.00 -0.00 0.00 0.00 33.47 30.99 1upn s TRP 156 CO -0.04 0.01 0.15 0.34 -0.00 0.00 0.00 176.95 177.41 1upn s ASP 157 N 1.17 5.54 0.24 5.86 2.15 -1.26 -1.46 116.67 128.90 1upn s ASP 157 Ca 0.09 -0.53 -0.30 0.00 0.43 0.00 0.00 52.55 52.25 1upn s ASP 157 Cb -0.14 -2.00 -0.10 0.00 -0.30 0.00 0.00 42.92 40.38 1upn s ASP 157 CO 0.06 -0.19 1.42 -0.69 -0.17 0.00 0.00 175.17 175.60 1upn s VAL 158 N 1.61 2.76 0.00 1.11 1.01 -0.05 -4.92 120.40 121.92 1upn s VAL 158 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1upn s VAL 158 Cb -0.17 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1upn s VAL 158 CO 0.06 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1upn n GLY 159 N 2.27 2.66 0.28 4.51 0.00 -1.26 -4.59 105.19 109.05 1upn n GLY 159 Ca 0.07 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1upn n GLY 159 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1upn h LEU 160 N 0.00 0.41 -8.34 0.99 5.85 -1.98 -3.33 115.31 108.91 1upn h LEU 160 Ca 0.00 -0.05 -0.54 0.00 0.84 0.00 0.00 57.88 58.13 1upn h LEU 160 Cb 0.00 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1upn h LEU 160 CO 0.00 0.42 1.10 -1.10 -0.34 0.00 0.00 178.44 178.51 1upn s GLN 161 N -5.14 3.22 0.52 1.25 -1.52 -1.26 -4.86 119.66 111.86 1upn s GLN 161 Ca -0.07 -0.31 0.28 0.00 -1.95 0.00 0.00 55.36 53.31 1upn s GLN 161 Cb 0.16 -4.28 1.41 0.00 -0.22 0.00 0.00 33.01 30.08 1upn s GLN 161 CO 0.74 -2.16 2.04 0.66 -0.25 0.00 0.00 175.29 176.32 1upn h SER 162 N 10.01 0.00 -3.50 5.90 4.64 -1.93 -3.45 113.55 125.22 1upn h SER 162 Ca -0.24 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.42 1upn h SER 162 Cb 1.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 1upn h SER 162 CO 1.29 0.12 -0.75 -0.44 -0.87 0.00 0.00 176.83 176.19 1upn s SER 163 N -6.05 4.28 -0.01 4.97 0.01 -1.26 -1.49 113.70 114.15 1upn s SER 163 Ca -0.02 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.81 1upn s SER 163 Cb 0.12 -0.76 -0.00 0.00 0.21 0.00 0.00 66.02 65.59 1upn s SER 163 CO 0.58 0.16 -0.06 0.00 0.41 0.00 0.00 173.24 174.34 1upn s VAL 165 N -0.03 4.14 -0.31 0.00 1.01 -1.26 -0.10 120.40 123.84 1upn s VAL 165 Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1upn s VAL 165 Cb -0.04 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1upn s VAL 165 CO -0.00 0.31 0.18 -0.22 0.00 0.00 0.00 175.10 175.37 1upn s LEU 166 N 1.58 4.18 -0.21 3.92 2.96 0.22 -4.96 118.68 126.38 1upn s LEU 166 Ca 0.06 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.50 1upn s LEU 166 Cb -0.15 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1upn s LEU 166 CO 0.02 -0.17 0.12 0.00 -1.32 0.00 0.00 176.35 175.01 1upn s ILE 168 N 0.51 5.06 0.55 0.00 1.01 0.15 -4.97 121.20 123.52 1upn s ILE 168 Ca 0.07 -1.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.07 1upn s ILE 168 Cb -0.12 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 1upn s ILE 168 CO -0.00 -1.07 1.26 -2.16 0.00 0.00 0.00 174.94 172.97 1upn s PRO 169 N 1.94 3.17 -0.33 2.79 0.04 -1.26 -2.26 135.00 139.08 1upn s PRO 169 Ca 0.12 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1upn s PRO 169 Cb -0.22 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1upn s PRO 169 CO 0.01 -1.09 1.43 -0.46 0.04 0.00 0.00 177.00 176.94 1upn s TRP 170 N -1.47 2.41 -0.21 0.56 -0.11 -1.26 -4.93 118.94 113.93 1upn s TRP 170 Ca 0.73 0.72 -0.01 0.00 1.22 0.00 0.00 56.10 58.76 1upn s TRP 170 Cb -0.34 -4.09 0.06 0.00 -1.50 0.00 0.00 33.47 27.60 1upn s TRP 170 CO 0.39 -2.12 -0.02 0.42 -4.62 0.00 0.00 176.95 171.00 1upn s ILE 171 N 5.09 1.12 0.02 5.86 1.01 -1.26 -5.03 121.20 128.01 1upn s ILE 171 Ca 0.62 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 1upn s ILE 171 Cb -0.17 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 40.87 1upn s ILE 171 CO 0.29 -0.13 0.53 -0.55 0.00 0.00 0.00 174.94 175.08 1upn s SER 172 N 1.58 -0.45 0.17 3.58 0.15 -1.26 -4.98 113.70 112.49 1upn s SER 172 Ca -0.04 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 1upn s SER 172 Cb -0.18 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 1upn s SER 172 CO -0.07 -0.66 1.50 0.06 1.20 0.00 0.00 173.24 175.27 1upn h GLN 173 N 2.97 0.73 -6.16 5.44 -0.00 -1.95 -3.45 115.11 112.69 1upn h GLN 173 Ca -0.30 -0.42 -0.48 0.00 -0.00 0.00 0.00 58.65 57.45 1upn h GLN 173 Cb 1.19 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 1upn h GLN 173 CO 0.41 1.04 -0.43 0.95 -0.00 0.00 0.00 178.83 180.80 1upn s THR 174 N -4.20 5.27 0.18 1.86 -4.23 -1.26 -5.01 115.64 108.25 1upn s THR 174 Ca -0.09 -0.88 0.28 0.00 -1.18 0.00 0.00 61.69 59.82 1upn s THR 174 Cb 0.11 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.42 1upn s THR 174 CO 0.86 -0.27 1.92 0.45 -0.54 0.00 0.00 174.62 177.03 1upn h HIS 175 N 1.43 0.00 -3.86 3.99 3.86 -1.97 -3.45 115.15 115.15 1upn h HIS 175 Ca -0.51 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.47 1upn h HIS 175 Cb 1.22 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.53 1upn h HIS 175 CO 0.48 0.14 -0.70 0.71 0.86 0.00 0.00 177.93 179.41 1upn s TYR 176 N -3.74 0.84 0.14 2.45 1.51 -1.26 -4.65 117.35 112.63 1upn s TYR 176 Ca 0.00 -0.83 0.08 0.00 -1.01 0.00 0.00 57.07 55.32 1upn s TYR 176 Cb 0.10 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1upn s TYR 176 CO 0.60 -0.14 -0.19 1.03 -1.11 0.00 0.00 175.55 175.74 1upn s ARG 177 N -3.34 1.22 0.30 -0.62 0.52 0.38 -4.94 118.95 112.47 1upn s ARG 177 Ca 0.07 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 53.67 1upn s ARG 177 Cb 0.02 -1.34 -0.10 0.00 0.52 0.00 0.00 34.95 34.05 1upn s ARG 177 CO -0.04 0.29 1.19 -0.51 0.02 0.00 0.00 175.30 176.25 1upn s LEU 178 N -2.41 4.49 0.25 2.53 2.01 -1.26 -1.26 118.68 123.03 1upn s LEU 178 Ca 0.12 2.45 0.03 0.00 0.01 0.00 0.00 54.13 56.74 1upn s LEU 178 Cb -0.07 -3.64 0.29 0.00 0.01 0.00 0.00 46.19 42.77 1upn s LEU 178 CO 0.06 -0.31 1.60 -0.37 1.01 0.00 0.00 176.35 178.33 1upn h VAL 179 N 3.06 1.34 -0.61 -1.59 -1.51 -1.58 -2.62 116.25 112.74 1upn h VAL 179 Ca -0.48 -1.74 -0.73 0.00 -1.23 0.00 0.00 66.70 62.53 1upn h VAL 179 Cb 1.22 1.79 -0.08 0.00 -2.13 0.00 0.00 31.29 32.09 1upn h VAL 179 CO 0.66 0.52 2.76 1.67 -1.23 0.00 0.00 177.57 181.96 1upn n GLN 180 N -3.96 3.40 -1.66 5.19 -0.06 -1.26 -3.69 117.38 115.34 1upn n GLN 180 Ca -0.02 -2.97 -0.43 0.00 -2.00 0.00 0.00 57.00 51.59 1upn n GLN 180 Cb 0.55 -3.03 -0.01 0.00 -4.06 0.00 0.00 30.24 23.69 1upn n GLN 180 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1upn n GLN 181 N 4.55 1.86 -4.54 3.69 6.02 -0.99 -5.05 117.38 122.93 1upn n GLN 181 Ca 0.52 0.65 -0.30 0.00 -0.01 0.00 0.00 57.00 57.86 1upn n GLN 181 Cb 0.35 -2.19 -0.07 0.00 1.02 0.00 0.00 30.24 29.35 1upn n GLN 181 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1upn n ASP 182 N 0.83 2.77 -0.01 1.08 3.85 -1.26 -5.02 116.55 118.79 1upn n ASP 182 Ca 0.06 -3.16 -0.03 0.00 -0.71 0.00 0.00 54.79 50.95 1upn n ASP 182 Cb 0.35 0.53 0.20 0.00 -1.35 0.00 0.00 41.12 40.86 1upn n ASP 182 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1upn h GLU 183 N 0.00 0.54 -0.58 0.11 4.57 -1.99 -2.29 114.58 114.95 1upn h GLU 183 Ca -0.38 -0.19 0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1upn h GLU 183 Cb 1.23 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1upn h GLU 183 CO 0.63 0.71 0.38 -0.92 -1.18 0.00 0.00 179.01 178.63 1upn h TYR 184 N 0.49 0.58 -0.76 0.92 3.20 -2.02 -1.97 116.97 117.42 1upn h TYR 184 Ca 0.08 0.01 -0.49 0.00 3.14 0.00 0.00 58.73 61.47 1upn h TYR 184 Cb 0.60 -0.19 -0.28 0.00 1.54 0.00 0.00 36.73 38.40 1upn h TYR 184 CO 0.02 0.32 0.11 0.25 -1.64 0.00 0.00 178.16 177.23 1upn n THR 185 N -4.47 2.99 -1.71 1.81 -2.24 -0.89 -5.00 114.28 104.76 1upn n THR 185 Ca 0.08 -3.15 -0.37 0.00 -2.27 0.00 0.00 64.05 58.34 1upn n THR 185 Cb 0.21 -0.86 0.06 0.00 -2.10 0.00 0.00 70.33 67.65 1upn n THR 185 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1upn n SER 186 N -0.94 1.86 0.00 3.42 2.88 -0.74 -4.69 113.62 115.41 1upn n SER 186 Ca 0.49 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1upn n SER 186 Cb 0.96 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1upn n SER 186 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1upn n ALA 187 N -1.79 1.98 0.00 -1.46 0.00 -1.26 -4.79 120.51 113.19 1upn n ALA 187 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1upn n ALA 187 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1upn n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upn n GLY 188 N -0.07 -1.84 3.18 0.00 0.00 -1.26 -4.32 105.19 100.88 1upn n GLY 188 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 1upn n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upn s ASN 189 N -4.00 0.71 -0.02 1.61 4.22 -0.95 -0.45 114.94 116.06 1upn s ASN 189 Ca 0.00 -1.17 0.05 0.00 -2.14 0.00 0.00 52.86 49.60 1upn s ASN 189 Cb 0.00 0.21 -0.01 0.00 1.28 0.00 0.00 41.25 42.73 1upn s ASN 189 CO 0.00 -0.65 -0.17 0.68 -2.04 0.00 0.00 177.10 174.92 1upn s VAL 190 N -3.87 1.40 0.12 3.54 -7.23 -0.84 -0.47 120.40 113.06 1upn s VAL 190 Ca 0.22 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1upn s VAL 190 Cb 0.07 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1upn s VAL 190 CO 0.01 0.40 -0.09 0.42 -0.31 0.00 0.00 175.10 175.53 1upn s THR 191 N -0.29 0.96 -0.01 5.32 -4.23 0.04 -1.64 115.64 115.80 1upn s THR 191 Ca 0.04 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1upn s THR 191 Cb -0.08 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 1upn s THR 191 CO 0.00 -0.78 -0.09 0.00 -0.54 0.00 0.00 174.62 173.20 1upn s TRP 193 N -0.25 0.52 0.08 0.00 0.52 -0.14 -0.65 118.94 119.03 1upn s TRP 193 Ca 0.03 -0.72 -0.31 0.00 0.02 0.00 0.00 56.10 55.12 1upn s TRP 193 Cb -0.04 -0.34 -0.07 0.00 -1.15 0.00 0.00 33.47 31.87 1upn s TRP 193 CO -0.00 -0.21 1.40 0.71 0.02 0.00 0.00 176.95 178.87 1upn s TYR 194 N -2.41 3.10 -0.14 -1.98 1.51 -1.26 -0.01 117.35 116.16 1upn s TYR 194 Ca -0.04 0.89 0.19 0.00 -1.01 0.00 0.00 57.07 57.10 1upn s TYR 194 Cb -0.03 -3.69 -0.14 0.00 -0.11 0.00 0.00 41.96 37.99 1upn s TYR 194 CO -0.04 -2.45 0.76 0.94 -1.11 0.00 0.00 175.55 173.65 1upn n GLN 195 N 4.40 0.63 -2.70 -0.62 -0.06 0.17 -4.70 117.38 114.51 1upn n GLN 195 Ca 0.12 0.13 -0.06 0.00 -2.00 0.00 0.00 57.00 55.19 1upn n GLN 195 Cb 0.43 -1.75 0.07 0.00 -4.06 0.00 0.00 30.24 24.93 1upn n GLN 195 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1upn n THR 196 N -2.75 0.00 0.00 1.69 5.66 -1.07 -5.00 114.28 112.81 1upn n THR 196 Ca -0.09 -1.01 0.00 0.00 -3.05 0.00 0.00 64.05 59.90 1upn n THR 196 Cb 0.78 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.81 1upn n THR 196 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1upn n GLY 197 N 1.40 0.00 3.56 1.09 0.00 -1.26 -4.01 105.19 105.96 1upn n GLY 197 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1upn n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upn s ILE 198 N 0.00 5.14 -0.01 -0.61 1.01 -1.26 -4.10 121.20 121.38 1upn s ILE 198 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 1upn s ILE 198 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1upn s ILE 198 CO 0.00 -0.07 0.08 -0.69 0.00 0.00 0.00 174.94 174.26 1upn s VAL 199 N 2.09 4.75 -0.03 2.92 1.01 -0.78 -3.67 120.40 126.69 1upn s VAL 199 Ca 0.13 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1upn s VAL 199 Cb -0.16 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1upn s VAL 199 CO 0.12 0.36 0.29 0.54 0.00 0.00 0.00 175.10 176.41 1upn s VAL 200 N -1.19 0.05 0.81 2.92 0.11 -1.26 -1.83 120.40 120.01 1upn s VAL 200 Ca 0.23 -0.42 -0.11 0.00 -2.93 0.00 0.00 61.98 58.74 1upn s VAL 200 Cb -0.12 -0.57 0.11 0.00 -1.53 0.00 0.00 36.38 34.27 1upn s VAL 200 CO 0.14 -0.23 1.16 -2.16 -3.33 0.00 0.00 175.10 170.67 1upn s PRO 201 N -1.10 1.66 0.58 1.54 0.04 -1.26 -5.02 135.00 131.43 1upn s PRO 201 Ca -0.12 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 60.52 1upn s PRO 201 Cb -0.05 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1upn s PRO 201 CO 0.03 -1.70 1.15 0.00 0.04 0.00 0.00 177.00 176.52 1upn s ALA 202 N -3.54 2.61 0.00 8.56 0.00 -1.26 -3.39 121.76 124.75 1upn s ALA 202 Ca 0.65 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1upn s ALA 202 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1upn s ALA 202 CO 0.48 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1upn n GLY 203 N 0.15 0.67 3.32 0.00 0.00 -1.26 -5.04 105.19 103.03 1upn n GLY 203 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1upn n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1upn s THR 204 N -2.21 1.77 0.34 2.61 -4.23 -1.22 -5.10 115.64 107.60 1upn s THR 204 Ca 0.00 -1.80 -0.28 0.00 -1.18 0.00 0.00 61.69 58.42 1upn s THR 204 Cb 0.00 -1.75 -0.12 0.00 1.34 0.00 0.00 72.50 71.97 1upn s THR 204 CO 0.00 -0.25 1.39 -2.65 -0.54 0.00 0.00 174.62 172.57 1upn n PRO 205 N 0.53 2.35 -0.17 3.99 -0.02 -1.26 -4.92 135.00 135.49 1upn n PRO 205 Ca -0.15 0.82 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1upn n PRO 205 Cb 0.56 -2.48 0.26 0.00 -0.02 0.00 0.00 33.50 31.82 1upn n PRO 205 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1upn n THR 206 N 0.67 0.44 -3.76 3.45 -2.24 -1.26 -4.88 114.28 106.70 1upn n THR 206 Ca 0.05 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1upn n THR 206 Cb 0.37 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 1upn n THR 206 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1upn s SER 207 N -1.26 -0.31 0.20 3.42 1.04 -1.26 -1.19 113.70 114.33 1upn s SER 207 Ca 0.31 0.52 0.01 0.00 0.48 0.00 0.00 55.95 57.27 1upn s SER 207 Cb 0.17 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.88 1upn s SER 207 CO 0.24 -0.20 0.24 0.00 0.98 0.00 0.00 173.24 174.49 1upn s SER 209 N -2.27 3.26 -0.08 0.00 0.01 -1.26 -1.62 113.70 111.73 1upn s SER 209 Ca 0.19 -0.69 0.04 0.00 1.31 0.00 0.00 55.95 56.79 1upn s SER 209 Cb 0.00 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 1upn s SER 209 CO 0.13 0.21 -0.20 -0.63 0.41 0.00 0.00 173.24 173.16 1upn s ILE 210 N -0.97 2.48 0.24 1.44 1.01 0.41 -1.33 121.20 124.48 1upn s ILE 210 Ca 0.13 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1upn s ILE 210 Cb -0.10 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1upn s ILE 210 CO 0.05 0.56 0.11 -0.04 0.00 0.00 0.00 174.94 175.62 1upn s MET 211 N -0.06 2.69 -0.07 2.79 -1.94 -0.25 -0.99 119.30 121.47 1upn s MET 211 Ca -0.05 -1.14 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 1upn s MET 211 Cb -0.14 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.28 1upn s MET 211 CO 0.04 0.40 -0.07 0.00 -0.01 0.00 0.00 175.02 175.39 1upn s PHE 213 N 1.13 2.79 0.08 0.00 2.99 0.28 0.06 117.98 125.31 1upn s PHE 213 Ca -0.07 -0.11 0.08 0.00 0.00 0.00 0.00 56.93 56.82 1upn s PHE 213 Cb -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 43.02 41.32 1upn s PHE 213 CO -0.01 0.37 -0.20 0.54 -0.00 0.00 0.00 175.22 175.91 1upn s VAL 214 N -1.06 1.63 0.02 -0.44 0.11 -0.84 -0.41 120.40 119.42 1upn s VAL 214 Ca 0.18 -1.38 -0.27 0.00 -2.93 0.00 0.00 61.98 57.57 1upn s VAL 214 Cb -0.11 -1.46 0.09 0.00 -1.53 0.00 0.00 36.38 33.37 1upn s VAL 214 CO 0.09 0.02 0.78 -0.94 -3.33 0.00 0.00 175.10 171.72 1upn s SER 215 N -1.61 -0.48 0.28 3.54 1.04 -0.32 -2.48 113.70 113.67 1upn s SER 215 Ca 0.06 0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 1upn s SER 215 Cb -0.09 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 1upn s SER 215 CO 0.03 -0.70 0.79 0.00 0.98 0.00 0.00 173.24 174.35 1upn s ALA 216 N -2.78 3.32 0.91 5.32 0.00 -0.01 -0.34 121.76 128.17 1upn s ALA 216 Ca 0.00 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1upn s ALA 216 Cb -0.01 -2.92 0.20 0.00 0.00 0.00 0.00 23.12 20.39 1upn s ALA 216 CO -0.06 0.28 1.24 0.00 0.00 0.00 0.00 175.76 177.22 1upn n ASN 218 N -3.54 0.20 -0.64 0.00 0.23 -1.26 -2.89 115.26 107.36 1upn n ASN 218 Ca 0.17 -1.96 0.06 0.00 -0.53 0.00 0.00 54.58 52.31 1upn n ASN 218 Cb 0.60 -0.02 0.15 0.00 -2.08 0.00 0.00 39.78 38.42 1upn n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1upn n ASP 219 N -0.41 2.85 -4.75 0.53 5.75 -1.26 -5.01 116.55 114.26 1upn n ASP 219 Ca 0.02 -1.94 -0.40 0.00 -0.01 0.00 0.00 54.79 52.46 1upn n ASP 219 Cb 0.04 -0.21 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 1upn n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1upn s PHE 220 N -1.00 3.73 0.21 2.11 2.19 -1.14 -4.31 117.98 119.77 1upn s PHE 220 Ca 0.23 1.45 -0.13 0.00 0.33 0.00 0.00 56.93 58.81 1upn s PHE 220 Cb 0.12 -2.80 0.00 0.00 -1.31 0.00 0.00 43.02 39.03 1upn s PHE 220 CO 0.16 0.28 0.43 -1.54 1.83 0.00 0.00 175.22 176.38 1upn s SER 221 N -0.08 -0.10 0.05 6.13 1.04 -0.19 -4.99 113.70 115.56 1upn s SER 221 Ca 0.38 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1upn s SER 221 Cb -0.20 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1upn s SER 221 CO 0.22 -1.04 -0.05 0.68 0.98 0.00 0.00 173.24 174.04 1upn s VAL 222 N -3.96 0.34 0.19 5.02 -7.23 -1.26 -2.16 120.40 111.34 1upn s VAL 222 Ca 0.17 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1upn s VAL 222 Cb 0.01 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1upn s VAL 222 CO 0.03 -0.70 0.17 -0.13 -0.31 0.00 0.00 175.10 174.16 1upn s ARG 223 N -2.66 1.20 -0.38 4.82 0.52 -0.45 -4.99 118.95 117.01 1upn s ARG 223 Ca -0.03 -1.54 -0.11 0.00 -0.52 0.00 0.00 55.73 53.53 1upn s ARG 223 Cb -0.02 0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.76 1upn s ARG 223 CO -0.04 -0.40 0.41 -0.11 0.02 0.00 0.00 175.30 175.17 1upn n LEU 224 N -0.26 -7.77 -4.69 2.53 7.94 -1.26 -1.81 117.00 111.68 1upn n LEU 224 Ca 0.00 0.78 -0.41 0.00 -1.11 0.00 0.00 56.01 55.27 1upn n LEU 224 Cb 0.65 -3.31 0.01 0.00 0.53 0.00 0.00 43.42 41.31 1upn n LEU 224 CO 0.31 -2.53 0.86 0.18 -1.11 0.00 0.00 177.39 175.10 1upn n LEU 225 N -0.02 3.89 -3.73 -1.96 7.99 -1.26 -0.91 117.00 121.01 1upn n LEU 225 Ca 0.08 1.10 -0.09 0.00 -0.01 0.00 0.00 56.01 57.09 1upn n LEU 225 Cb 0.31 -1.49 -0.03 0.00 -0.11 0.00 0.00 43.42 42.11 1upn n LEU 225 CO 0.45 -0.73 0.40 -1.59 -1.51 0.00 0.00 177.39 174.41 1upn s LYS 226 N -2.19 1.56 0.59 3.23 -2.85 -0.45 -4.86 119.74 114.77 1upn s LYS 226 Ca 0.61 -0.85 -0.14 0.00 -1.00 0.00 0.00 55.97 54.60 1upn s LYS 226 Cb -0.51 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 1upn s LYS 226 CO 0.58 -0.70 1.02 -0.51 0.10 0.00 0.00 175.35 175.84 1upn s ASP 227 N -2.87 6.19 0.26 0.03 1.01 -1.26 -4.34 116.67 115.68 1upn s ASP 227 Ca 0.09 1.56 -0.20 0.00 0.71 0.00 0.00 52.55 54.71 1upn s ASP 227 Cb -0.03 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 1upn s ASP 227 CO -0.00 -0.89 0.76 -0.89 0.21 0.00 0.00 175.17 174.36 1upn s THR 228 N -2.85 4.54 0.13 -1.27 2.01 -1.26 -4.79 115.64 112.16 1upn s THR 228 Ca 0.58 1.30 0.14 0.00 0.31 0.00 0.00 61.69 64.02 1upn s THR 228 Cb -0.12 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1upn s THR 228 CO 0.43 0.12 1.58 -0.65 -0.69 0.00 0.00 174.62 175.41 1upn h PRO 229 N 3.15 0.00 0.00 4.92 0.11 -1.96 -3.33 132.00 134.89 1upn h PRO 229 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1upn h PRO 229 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1upn h PRO 229 CO 0.65 0.56 0.00 1.19 -0.21 0.00 0.00 178.00 180.20 1upn n PHE 230 N -3.52 0.29 -4.63 0.65 3.72 -1.26 -4.78 117.46 107.93 1upn n PHE 230 Ca -0.00 0.12 -0.23 0.00 -0.05 0.00 0.00 57.45 57.30 1upn n PHE 230 Cb 0.65 -0.70 -0.15 0.00 -0.94 0.00 0.00 39.48 38.34 1upn n PHE 230 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1upn s ILE 231 N -3.14 1.23 0.33 4.37 -1.16 -1.25 -5.13 121.20 116.44 1upn s ILE 231 Ca 0.04 -0.78 -0.18 0.00 -0.51 0.00 0.00 60.65 59.22 1upn s ILE 231 Cb 0.08 -1.04 0.04 0.00 0.61 0.00 0.00 42.46 42.14 1upn s ILE 231 CO 0.25 0.26 0.78 0.00 -2.81 0.00 0.00 174.94 173.42 1upn s GLN 232 N -0.60 1.99 0.04 3.50 0.00 -1.26 -4.97 119.66 118.35 1upn s GLN 232 Ca 0.05 -1.21 -0.20 0.00 -0.00 0.00 0.00 55.36 54.00 1upn s GLN 232 Cb -0.07 0.60 0.04 0.00 0.00 0.00 0.00 33.01 33.59 1upn s GLN 232 CO 0.00 -0.92 0.46 1.14 0.00 0.00 0.00 175.29 175.96 1upn s GLN 233 N -2.94 0.96 0.01 9.60 -2.07 -1.26 -5.04 119.66 118.92 1upn s GLN 233 Ca 0.14 -0.30 0.22 0.00 -1.82 0.00 0.00 55.36 53.59 1upn s GLN 233 Cb -0.05 0.43 -0.27 0.00 -1.09 0.00 0.00 33.01 32.03 1upn s GLN 233 CO 0.09 -0.34 0.57 0.00 -1.32 0.00 0.00 175.29 174.29 1upn n ALA 234 N 0.48 2.70 -3.84 2.60 0.00 -1.26 -5.04 120.51 116.16 1upn n ALA 234 Ca -0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 1upn n ALA 234 Cb 0.60 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1upn n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upn s ALA 235 N -3.45 -1.24 1.00 0.00 0.00 -1.26 -5.18 121.76 111.62 1upn s ALA 235 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1upn s ALA 235 Cb 0.13 0.79 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1upn s ALA 235 CO 0.88 -1.03 0.00 -0.11 0.00 0.00 0.00 175.76 175.50 1upn n LEU 236 N -0.48 0.00 -2.21 0.00 7.94 -1.26 -4.00 117.00 117.00 1upn n LEU 236 Ca -0.05 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.83 1upn n LEU 236 Cb 0.59 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.54 1upn n LEU 236 CO 0.16 -0.25 -0.03 -0.11 -1.11 0.00 0.00 177.39 176.06 1upn n LEU 237 N 0.00 -0.19 0.00 -1.96 0.00 -1.26 -5.19 117.00 108.40 1upn n LEU 237 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 56.01 56.38 1upn n LEU 237 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 43.42 42.31 1upn n LEU 237 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 177.39 177.35