#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upn s SER 6 N 0.00 4.22 0.53 3.14 1.04 -1.26 -0.94 113.70 120.43 1upn s SER 6 Ca 0.00 -0.47 -0.10 0.00 0.48 0.00 0.00 55.95 55.86 1upn s SER 6 Cb 0.00 -0.73 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 1upn s SER 6 CO 0.00 0.16 0.91 0.00 0.98 0.00 0.00 173.24 175.29 1upn s PRO 8 N -4.68 1.59 0.03 0.00 0.04 -1.26 -4.88 135.00 125.84 1upn s PRO 8 Ca 0.53 1.35 -0.36 0.00 0.04 0.00 0.00 61.00 62.56 1upn s PRO 8 Cb -0.11 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 1upn s PRO 8 CO 0.44 -2.16 1.60 -1.71 0.04 0.00 0.00 177.00 175.21 1upn n ASN 9 N -3.90 2.68 -0.32 6.66 2.85 -1.26 -4.84 115.26 117.13 1upn n ASN 9 Ca 0.10 1.07 0.15 0.00 -0.11 0.00 0.00 54.58 55.80 1upn n ASN 9 Cb 0.53 -1.31 0.39 0.00 1.24 0.00 0.00 39.78 40.62 1upn n ASN 9 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1upn h PRO 10 N 6.39 0.62 0.00 1.20 0.11 -2.01 -3.48 132.00 134.83 1upn h PRO 10 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1upn h PRO 10 Cb 1.29 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1upn h PRO 10 CO 0.88 0.41 0.00 0.41 -0.21 0.00 0.00 178.00 179.49 1upn n GLY 11 N -1.39 0.19 3.09 -0.55 0.00 -1.26 -4.97 105.19 100.29 1upn n GLY 11 Ca 0.22 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1upn n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1upn s GLU 12 N 0.00 0.42 -0.25 1.61 -1.05 -1.26 -4.97 118.70 113.21 1upn s GLU 12 Ca 0.00 -0.26 -0.09 0.00 -0.15 0.00 0.00 54.97 54.47 1upn s GLU 12 Cb 0.00 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1upn s GLU 12 CO 0.00 -0.09 0.11 0.42 0.95 0.00 0.00 175.26 176.65 1upn s ILE 13 N -1.06 4.74 0.12 1.83 1.01 -1.26 -5.06 121.20 121.53 1upn s ILE 13 Ca -0.11 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 1upn s ILE 13 Cb -0.06 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 1upn s ILE 13 CO 0.01 0.33 1.56 -0.60 0.00 0.00 0.00 174.94 176.24 1upn s ARG 14 N 1.45 4.23 -1.38 2.79 3.52 -1.26 -1.36 118.95 126.93 1upn s ARG 14 Ca 0.06 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 1upn s ARG 14 Cb -0.15 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1upn s ARG 14 CO 0.06 -0.62 0.00 0.09 -0.81 0.00 0.00 175.30 174.02 1upn n ASN 15 N 4.48 -4.55 -2.06 -2.12 5.03 -1.26 -4.27 115.26 110.52 1upn n ASN 15 Ca 0.14 0.24 -0.09 0.00 0.87 0.00 0.00 54.58 55.74 1upn n ASN 15 Cb 0.40 -3.39 -0.03 0.00 -1.02 0.00 0.00 39.78 35.74 1upn n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1upn n GLY 16 N -1.21 3.27 2.99 7.41 0.00 -0.46 -0.43 105.19 116.76 1upn n GLY 16 Ca -0.15 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1upn n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1upn s GLN 17 N -2.59 0.36 -0.16 1.61 -1.52 -0.06 -4.58 119.66 112.73 1upn s GLN 17 Ca 0.18 -0.47 0.01 0.00 -1.95 0.00 0.00 55.36 53.14 1upn s GLN 17 Cb 0.01 -0.17 0.01 0.00 -0.22 0.00 0.00 33.01 32.64 1upn s GLN 17 CO 0.13 0.03 -0.20 0.42 -0.25 0.00 0.00 175.29 175.42 1upn s ILE 18 N -0.89 2.20 -0.19 1.08 1.01 -1.26 -2.04 121.20 121.10 1upn s ILE 18 Ca -0.07 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 1upn s ILE 18 Cb -0.07 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1upn s ILE 18 CO -0.00 0.54 0.14 -0.62 0.00 0.00 0.00 174.94 175.00 1upn s ASP 19 N 1.02 6.24 -0.57 3.58 2.15 0.18 -4.95 116.67 124.32 1upn s ASP 19 Ca -0.02 0.27 0.05 0.00 0.43 0.00 0.00 52.55 53.28 1upn s ASP 19 Cb -0.15 -2.10 0.17 0.00 -0.30 0.00 0.00 42.92 40.55 1upn s ASP 19 CO -0.06 0.19 0.42 -0.69 -0.17 0.00 0.00 175.17 174.86 1upn s VAL 20 N 0.27 1.71 0.14 1.11 1.01 -1.26 -1.08 120.40 122.30 1upn s VAL 20 Ca 0.09 -3.53 0.03 0.00 0.00 0.00 0.00 61.98 58.57 1upn s VAL 20 Cb -0.11 -2.14 -0.19 0.00 0.00 0.00 0.00 36.38 33.95 1upn s VAL 20 CO -0.01 -1.11 1.32 1.55 0.00 0.00 0.00 175.10 176.84 1upn h PRO 21 N 5.50 0.15 -1.46 2.72 0.13 -1.96 -3.38 132.00 133.71 1upn h PRO 21 Ca 0.20 -0.20 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1upn h PRO 21 Cb 0.83 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.62 1upn h PRO 21 CO 0.56 1.00 -0.49 0.41 -0.23 0.00 0.00 178.00 179.25 1upn n GLY 22 N 1.09 6.01 5.23 1.56 0.00 -1.26 -5.10 105.19 112.72 1upn n GLY 22 Ca -0.04 -2.71 0.05 0.00 0.00 0.00 0.00 46.02 43.32 1upn n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upn n GLY 23 N -0.53 -1.41 0.85 -0.02 0.00 -1.26 -4.62 105.19 98.20 1upn n GLY 23 Ca 0.42 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1upn n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1upn n ILE 24 N -2.22 1.63 -2.34 -0.61 -5.35 -1.26 -4.72 119.36 104.49 1upn n ILE 24 Ca 0.00 -2.66 -0.24 0.00 -0.27 0.00 0.00 62.75 59.57 1upn n ILE 24 Cb 0.16 0.08 0.07 0.00 -1.74 0.00 0.00 39.64 38.21 1upn n ILE 24 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1upn s LEU 25 N -2.39 2.95 0.20 7.28 1.43 -1.26 -0.17 118.68 126.72 1upn s LEU 25 Ca 0.37 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.41 1upn s LEU 25 Cb 0.38 -2.94 -0.14 0.00 0.03 0.00 0.00 46.19 43.51 1upn s LEU 25 CO -0.10 -1.53 1.36 2.22 0.23 0.00 0.00 176.35 178.53 1upn n PHE 26 N -2.78 1.90 0.00 0.29 -1.74 -0.12 -1.13 117.46 113.88 1upn n PHE 26 Ca 0.09 0.49 0.00 0.00 -0.56 0.00 0.00 57.45 57.47 1upn n PHE 26 Cb 0.60 -2.41 0.00 0.00 1.52 0.00 0.00 39.48 39.19 1upn n PHE 26 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1upn n GLY 27 N 2.28 2.44 3.77 4.97 0.00 -0.07 -5.00 105.19 113.59 1upn n GLY 27 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1upn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upn s ALA 28 N -2.47 3.07 -0.06 4.61 0.00 -0.28 -4.75 121.76 121.89 1upn s ALA 28 Ca 0.00 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1upn s ALA 28 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1upn s ALA 28 CO 0.00 -0.58 -0.22 0.99 0.00 0.00 0.00 175.76 175.95 1upn s THR 29 N -1.48 2.37 0.20 0.00 2.01 -1.26 -0.53 115.64 116.95 1upn s THR 29 Ca 0.60 -0.96 0.11 0.00 0.31 0.00 0.00 61.69 61.75 1upn s THR 29 Cb -0.29 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 1upn s THR 29 CO 0.36 0.57 -0.22 0.27 -0.69 0.00 0.00 174.62 174.92 1upn s ILE 30 N -0.32 2.47 0.00 1.82 -4.36 0.04 -4.60 121.20 116.25 1upn s ILE 30 Ca 0.02 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.45 1upn s ILE 30 Cb -0.13 -2.20 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 1upn s ILE 30 CO 0.02 -0.14 -0.22 -0.44 0.24 0.00 0.00 174.94 174.40 1upn s SER 31 N -2.77 2.58 0.05 4.36 0.01 -0.24 -1.58 113.70 116.11 1upn s SER 31 Ca 0.22 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.10 1upn s SER 31 Cb -0.08 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1upn s SER 31 CO 0.11 0.24 -0.11 -0.36 0.41 0.00 0.00 173.24 173.53 1upn s PHE 32 N -0.60 2.74 0.09 2.43 0.08 0.50 0.49 117.98 123.72 1upn s PHE 32 Ca 0.08 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 1upn s PHE 32 Cb -0.09 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1upn s PHE 32 CO -0.00 0.35 0.23 -1.54 -0.10 0.00 0.00 175.22 174.17 1upn s SER 33 N -1.66 0.04 0.19 1.36 1.04 -0.87 -4.80 113.70 109.00 1upn s SER 33 Ca 0.18 -0.57 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1upn s SER 33 Cb -0.11 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1upn s SER 33 CO 0.09 -0.75 0.18 0.00 0.98 0.00 0.00 173.24 173.74 1upn s ASN 35 N -3.37 4.78 0.21 0.00 0.01 0.43 -4.87 114.94 112.14 1upn s ASN 35 Ca 0.32 2.00 -0.32 0.00 -0.71 0.00 0.00 52.86 54.14 1upn s ASN 35 Cb -0.09 -2.55 -0.13 0.00 0.41 0.00 0.00 41.25 38.88 1upn s ASN 35 CO 0.25 -1.85 1.50 0.41 -1.51 0.00 0.00 177.10 175.90 1upn n THR 36 N -2.80 0.56 -0.04 1.60 -1.04 -1.26 -1.54 114.28 109.76 1upn n THR 36 Ca 0.10 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1upn n THR 36 Cb 0.52 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1upn n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1upn n GLY 37 N 2.70 0.42 3.30 3.41 0.00 -1.26 -5.06 105.19 108.69 1upn n GLY 37 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1upn n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1upn s TYR 38 N -2.11 1.94 -0.03 1.61 2.02 -0.59 -4.56 117.35 115.63 1upn s TYR 38 Ca 0.00 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 1upn s TYR 38 Cb 0.00 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1upn s TYR 38 CO 0.00 0.20 -0.16 0.21 -1.57 0.00 0.00 175.55 174.23 1upn s LYS 39 N -1.72 2.38 -0.14 -0.62 2.20 0.10 -4.65 119.74 117.29 1upn s LYS 39 Ca 0.09 -0.77 -0.26 0.00 -0.36 0.00 0.00 55.97 54.67 1upn s LYS 39 Cb -0.10 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.90 1upn s LYS 39 CO 0.04 0.60 0.83 -1.17 -0.36 0.00 0.00 175.35 175.29 1upn s LEU 40 N -0.85 4.21 -0.20 5.43 0.20 -1.26 -0.81 118.68 125.40 1upn s LEU 40 Ca 0.12 1.23 -0.00 0.00 0.69 0.00 0.00 54.13 56.16 1upn s LEU 40 Cb -0.11 -3.25 0.02 0.00 -0.43 0.00 0.00 46.19 42.42 1upn s LEU 40 CO 0.01 -0.35 -0.15 -0.36 -0.29 0.00 0.00 176.35 175.22 1upn s PHE 41 N 1.87 2.87 -0.04 5.38 0.40 0.39 -4.99 117.98 123.85 1upn s PHE 41 Ca 0.40 -1.49 0.00 0.00 -0.60 0.00 0.00 56.93 55.23 1upn s PHE 41 Cb -0.17 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.38 1upn s PHE 41 CO 0.15 -0.74 0.00 0.41 0.70 0.00 0.00 175.22 175.73 1upn n GLY 42 N 4.66 0.53 3.83 4.36 0.00 -1.26 -1.02 105.19 116.28 1upn n GLY 42 Ca -0.20 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.23 1upn n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1upn s SER 43 N -4.00 6.32 0.00 1.61 0.01 -1.26 -4.98 113.70 111.40 1upn s SER 43 Ca 0.00 1.67 0.14 0.00 1.31 0.00 0.00 55.95 59.07 1upn s SER 43 Cb 0.00 -2.52 0.17 0.00 0.21 0.00 0.00 66.02 63.88 1upn s SER 43 CO 0.00 -0.79 1.02 0.35 0.41 0.00 0.00 173.24 174.22 1upn n THR 44 N -1.71 0.22 -3.63 1.44 -2.24 -1.26 -4.35 114.28 102.75 1upn n THR 44 Ca 0.07 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1upn n THR 44 Cb 0.54 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 1upn n THR 44 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1upn s SER 45 N -1.11 -0.31 -0.02 3.42 1.04 -1.26 -0.37 113.70 115.09 1upn s SER 45 Ca 0.19 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1upn s SER 45 Cb 0.12 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1upn s SER 45 CO 0.18 -0.95 0.14 -0.55 0.98 0.00 0.00 173.24 173.04 1upn s SER 46 N -2.82 -0.04 -0.02 7.02 0.15 -0.62 -4.66 113.70 112.72 1upn s SER 46 Ca 0.05 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.75 1upn s SER 46 Cb 0.00 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1upn s SER 46 CO -0.09 -0.24 -0.22 0.12 1.20 0.00 0.00 173.24 174.01 1upn s PHE 47 N -0.81 2.47 -0.46 3.44 5.36 -1.26 -0.78 117.98 125.93 1upn s PHE 47 Ca -0.09 -0.33 -0.23 0.00 -0.96 0.00 0.00 56.93 55.32 1upn s PHE 47 Cb -0.05 -1.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.13 1upn s PHE 47 CO 0.01 0.07 0.77 0.00 -1.46 0.00 0.00 175.22 174.60 1upn s LEU 49 N 3.24 2.64 -0.20 0.00 0.05 0.17 -0.89 118.68 123.69 1upn s LEU 49 Ca 0.28 -1.25 -0.08 0.00 0.05 0.00 0.00 54.13 53.13 1upn s LEU 49 Cb -0.13 -0.81 -0.04 0.00 -2.05 0.00 0.00 46.19 43.15 1upn s LEU 49 CO 0.21 -0.33 0.09 -0.63 -0.55 0.00 0.00 176.35 175.13 1upn s ILE 50 N -2.81 4.96 -0.24 1.48 1.01 -1.26 -0.32 121.20 124.01 1upn s ILE 50 Ca 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 1upn s ILE 50 Cb 0.05 -3.26 0.08 0.00 0.01 0.00 0.00 42.46 39.34 1upn s ILE 50 CO 0.15 0.44 0.09 -0.55 0.00 0.00 0.00 174.94 175.07 1upn s SER 51 N 0.51 3.24 1.75 3.58 0.15 0.33 -4.99 113.70 118.27 1upn s SER 51 Ca 0.05 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1upn s SER 51 Cb -0.12 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1upn s SER 51 CO 0.00 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1upn n GLY 52 N 5.11 2.91 1.18 9.45 0.00 -1.26 -1.28 105.19 121.30 1upn n GLY 52 Ca -0.06 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.80 1upn n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1upn n SER 53 N 5.24 3.44 -4.48 1.61 3.41 -1.26 -4.91 113.62 116.68 1upn n SER 53 Ca 0.00 -2.18 -0.30 0.00 -0.26 0.00 0.00 58.87 56.12 1upn n SER 53 Cb 0.00 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.38 1upn n SER 53 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1upn s SER 54 N -0.89 3.88 -0.24 4.04 1.04 -0.40 -5.07 113.70 116.05 1upn s SER 54 Ca 0.39 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 1upn s SER 54 Cb 0.23 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1upn s SER 54 CO 0.22 0.23 0.09 -0.69 0.98 0.00 0.00 173.24 174.07 1upn s VAL 55 N -1.01 4.61 0.12 5.02 1.01 -1.26 -0.51 120.40 128.37 1upn s VAL 55 Ca 0.16 -0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 1upn s VAL 55 Cb -0.11 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1upn s VAL 55 CO 0.07 0.35 0.30 0.00 0.00 0.00 0.00 175.10 175.82 1upn s GLN 56 N 1.34 1.00 0.33 2.72 -2.07 0.57 -4.59 119.66 118.94 1upn s GLN 56 Ca 0.05 -0.88 -0.27 0.00 -1.82 0.00 0.00 55.36 52.44 1upn s GLN 56 Cb -0.15 0.41 -0.09 0.00 -1.09 0.00 0.00 33.01 32.09 1upn s GLN 56 CO 0.04 -0.36 1.06 -1.58 -1.32 0.00 0.00 175.29 173.13 1upn s TRP 57 N -3.85 3.49 0.24 9.60 0.52 -1.26 -0.65 118.94 127.02 1upn s TRP 57 Ca 0.06 1.70 0.03 0.00 0.02 0.00 0.00 56.10 57.91 1upn s TRP 57 Cb 0.03 -3.18 0.26 0.00 -1.15 0.00 0.00 33.47 29.44 1upn s TRP 57 CO -0.10 -0.46 1.58 0.66 0.02 0.00 0.00 176.95 178.65 1upn h SER 58 N 3.28 0.37 -4.27 2.95 4.64 -0.80 -3.46 113.55 116.27 1upn h SER 58 Ca -0.47 -0.19 -0.41 0.00 -0.47 0.00 0.00 61.79 60.25 1upn h SER 58 Cb 1.21 -0.11 -0.26 0.00 -0.31 0.00 0.00 62.40 62.94 1upn h SER 58 CO 0.65 0.83 -0.78 -1.81 -0.87 0.00 0.00 176.83 174.85 1upn s ASP 59 N -6.89 1.35 0.82 4.97 1.11 -1.26 -4.94 116.67 111.83 1upn s ASP 59 Ca -0.05 -0.35 -0.12 0.00 0.18 0.00 0.00 52.55 52.20 1upn s ASP 59 Cb 0.12 -0.10 0.09 0.00 1.07 0.00 0.00 42.92 44.10 1upn s ASP 59 CO 0.80 0.04 1.19 -2.16 1.18 0.00 0.00 175.17 176.22 1upn s PRO 60 N -0.82 1.86 0.35 8.23 0.04 -1.26 -4.80 135.00 138.60 1upn s PRO 60 Ca 0.01 0.08 -0.27 0.00 0.04 0.00 0.00 61.00 60.86 1upn s PRO 60 Cb -0.06 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1upn s PRO 60 CO 0.00 -1.66 1.14 -0.51 0.04 0.00 0.00 177.00 176.02 1upn s LEU 61 N -5.61 4.34 0.00 -3.56 1.43 -1.26 -4.64 118.68 109.38 1upn s LEU 61 Ca 0.63 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 55.91 1upn s LEU 61 Cb -0.11 -3.87 0.19 0.00 0.03 0.00 0.00 46.19 42.44 1upn s LEU 61 CO 0.49 -0.45 1.17 -0.81 0.23 0.00 0.00 176.35 176.98 1upn n PRO 62 N 0.52 -1.02 -4.66 1.29 -0.04 -1.26 -4.90 135.00 124.92 1upn n PRO 62 Ca 0.02 -1.95 -0.34 0.00 -0.04 0.00 0.00 63.50 61.20 1upn n PRO 62 Cb 0.46 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.65 1upn n PRO 62 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1upn s GLU 63 N -5.53 2.80 -0.24 0.54 2.02 -0.19 -4.88 118.70 113.23 1upn s GLU 63 Ca 0.67 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 55.03 1upn s GLU 63 Cb -0.02 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 1upn s GLU 63 CO 0.47 0.61 0.03 0.00 0.02 0.00 0.00 175.26 176.39 1upn s ARG 65 N 1.55 1.89 0.00 0.00 0.52 0.01 -4.84 118.95 118.07 1upn s ARG 65 Ca 0.06 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1upn s ARG 65 Cb -0.15 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1upn s ARG 65 CO 0.02 0.51 0.00 -1.91 0.02 0.00 0.00 175.30 173.94 1upn n GLU 66 N 1.35 0.00 0.00 3.54 2.13 -1.26 -0.72 120.64 125.67 1upn n GLU 66 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1upn n GLU 66 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1upn n GLU 66 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1upn n ILE 67 N 0.00 0.00 -5.19 6.31 5.41 -1.26 -4.86 119.36 119.77 1upn n ILE 67 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 1upn n ILE 67 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 1upn n ILE 67 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1upn s TYR 68 N -0.49 2.44 0.80 1.39 2.02 -1.26 -3.92 117.35 118.34 1upn s TYR 68 Ca 0.00 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 1upn s TYR 68 Cb 0.00 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 40.08 1upn s TYR 68 CO 0.00 -0.02 1.09 0.00 -1.57 0.00 0.00 175.55 175.05 1upn s PRO 70 N -5.01 0.05 0.38 0.00 0.04 -1.26 -4.57 135.00 124.63 1upn s PRO 70 Ca 0.61 -0.25 -0.28 0.00 0.04 0.00 0.00 61.00 61.13 1upn s PRO 70 Cb -0.16 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1upn s PRO 70 CO 0.56 -2.84 1.45 0.00 0.04 0.00 0.00 177.00 176.21 1upn s ALA 71 N -3.55 3.52 0.67 8.56 0.00 -1.26 -4.92 121.76 124.78 1upn s ALA 71 Ca 0.72 1.52 -0.16 0.00 0.00 0.00 0.00 51.96 54.04 1upn s ALA 71 Cb -0.07 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1upn s ALA 71 CO 0.54 -1.02 1.19 -1.25 0.00 0.00 0.00 175.76 175.22 1upn s PRO 72 N -2.10 2.57 0.60 0.00 0.04 -1.26 -4.99 135.00 129.86 1upn s PRO 72 Ca 0.53 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 1upn s PRO 72 Cb -0.45 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1upn s PRO 72 CO 0.61 -1.49 1.17 -1.25 0.04 0.00 0.00 177.00 176.07 1upn s PRO 73 N -3.75 2.99 0.36 0.56 0.04 -1.26 -5.02 135.00 128.92 1upn s PRO 73 Ca 0.74 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 63.39 1upn s PRO 73 Cb -0.28 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1upn s PRO 73 CO 0.40 -1.16 0.66 -0.65 0.04 0.00 0.00 177.00 176.29 1upn s GLN 74 N -3.50 3.65 0.07 4.56 -0.21 -1.26 -4.98 119.66 117.99 1upn s GLN 74 Ca 0.74 0.16 0.09 0.00 0.02 0.00 0.00 55.36 56.37 1upn s GLN 74 Cb -0.26 -2.53 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 1upn s GLN 74 CO 0.34 0.07 -0.26 0.96 -2.12 0.00 0.00 175.29 174.27 1upn s ILE 75 N -2.29 2.10 0.23 1.08 -4.36 -1.26 -5.10 121.20 111.60 1upn s ILE 75 Ca 0.46 -1.47 -0.30 0.00 -0.26 0.00 0.00 60.65 59.09 1upn s ILE 75 Cb -0.10 -1.82 -0.09 0.00 1.25 0.00 0.00 42.46 41.70 1upn s ILE 75 CO 0.33 0.26 1.29 -1.81 0.24 0.00 0.00 174.94 175.26 1upn s ASP 76 N -1.47 6.90 -1.93 4.36 1.01 -1.26 -3.06 116.67 121.22 1upn s ASP 76 Ca 0.12 2.44 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1upn s ASP 76 Cb -0.10 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1upn s ASP 76 CO 0.03 -0.50 0.00 0.59 0.21 0.00 0.00 175.17 175.50 1upn n ASN 77 N 2.20 -5.69 -2.56 0.27 3.02 -1.26 -4.13 115.26 107.12 1upn n ASN 77 Ca 0.04 0.20 -0.13 0.00 -0.03 0.00 0.00 54.58 54.67 1upn n ASN 77 Cb 0.43 -4.82 -0.05 0.00 -0.61 0.00 0.00 39.78 34.73 1upn n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upn n GLY 78 N -0.78 3.38 3.00 7.41 0.00 -1.17 -1.33 105.19 115.70 1upn n GLY 78 Ca -0.23 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1upn n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1upn s ILE 79 N -2.77 0.12 -0.14 -0.61 2.07 0.52 -4.71 121.20 115.69 1upn s ILE 79 Ca 0.22 -1.03 -0.21 0.00 -1.41 0.00 0.00 60.65 58.22 1upn s ILE 79 Cb 0.01 -0.43 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 1upn s ILE 79 CO 0.16 -0.56 0.63 -0.63 -1.91 0.00 0.00 174.94 172.62 1upn s ILE 80 N -1.79 5.06 -0.07 2.00 1.01 -1.26 -1.82 121.20 124.32 1upn s ILE 80 Ca -0.13 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.47 1upn s ILE 80 Cb -0.08 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1upn s ILE 80 CO -0.02 0.20 1.25 -1.10 0.00 0.00 0.00 174.94 175.27 1upn s GLN 81 N 1.28 4.31 -1.37 2.79 -1.52 0.05 -3.75 119.66 121.45 1upn s GLN 81 Ca 0.31 1.72 -0.05 0.00 -1.95 0.00 0.00 55.36 55.40 1upn s GLN 81 Cb -0.16 -3.61 0.03 0.00 -0.22 0.00 0.00 33.01 29.04 1upn s GLN 81 CO 0.13 -0.53 0.83 0.41 -0.25 0.00 0.00 175.29 175.88 1upn n GLY 82 N 3.47 -0.37 3.75 3.09 0.00 -1.26 -4.63 105.19 109.24 1upn n GLY 82 Ca 0.12 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1upn n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1upn s GLU 83 N -6.16 4.11 0.00 1.61 2.12 -1.25 -4.99 118.70 114.15 1upn s GLU 83 Ca 0.23 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.16 1upn s GLU 83 Cb -0.11 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1upn s GLU 83 CO 0.81 -0.64 0.00 2.89 -0.54 0.00 0.00 175.26 177.77 1upn n ARG 84 N 2.13 0.00 -3.65 4.30 1.85 -1.26 -5.18 116.66 114.84 1upn n ARG 84 Ca 0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.69 1upn n ARG 84 Cb 0.37 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.79 1upn n ARG 84 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1upn s ASP 85 N -0.18 4.76 -1.08 2.89 -0.00 -1.26 -4.85 116.67 116.95 1upn s ASP 85 Ca 0.00 -1.14 -0.13 0.00 -0.00 0.00 0.00 52.55 51.28 1upn s ASP 85 Cb 0.00 0.38 -0.03 0.00 -0.00 0.00 0.00 42.92 43.27 1upn s ASP 85 CO 0.00 -1.17 0.84 1.41 -0.00 0.00 0.00 175.17 176.26 1upn n HIS 86 N -1.90 -2.20 -2.77 4.23 8.25 -1.26 -4.94 115.22 114.63 1upn n HIS 86 Ca 0.03 0.66 -0.43 0.00 -0.26 0.00 0.00 57.72 57.72 1upn n HIS 86 Cb 0.63 -3.75 -0.04 0.00 1.12 0.00 0.00 29.99 27.96 1upn n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1upn s TYR 87 N -3.40 2.83 0.73 4.41 2.02 -1.26 -5.00 117.35 117.68 1upn s TYR 87 Ca 0.44 0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 57.43 1upn s TYR 87 Cb -0.11 -4.12 0.15 0.00 -0.40 0.00 0.00 41.96 37.47 1upn s TYR 87 CO 0.80 -1.26 1.00 0.41 -1.57 0.00 0.00 175.55 174.94 1upn n GLY 88 N 5.00 0.60 3.67 0.71 0.00 -1.26 -0.78 105.19 113.14 1upn n GLY 88 Ca 0.06 -2.02 -0.46 0.00 0.00 0.00 0.00 46.02 43.60 1upn n GLY 88 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1upn n TYR 89 N -2.87 2.30 0.00 1.61 9.36 -1.25 -1.73 117.16 124.57 1upn n TYR 89 Ca 0.16 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1upn n TYR 89 Cb 0.59 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1upn n TYR 89 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1upn n ARG 90 N 3.34 0.00 -1.98 2.98 3.00 0.15 -4.98 116.66 119.18 1upn n ARG 90 Ca 0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.68 1upn n ARG 90 Cb 0.29 -1.25 0.02 0.00 0.00 0.00 0.00 32.46 31.52 1upn n ARG 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1upn s GLN 91 N -0.15 3.27 0.26 5.56 -0.21 -0.71 -4.72 119.66 122.96 1upn s GLN 91 Ca 0.00 1.15 0.09 0.00 0.02 0.00 0.00 55.36 56.63 1upn s GLN 91 Cb 0.00 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 31.93 1upn s GLN 91 CO 0.00 -0.84 -0.15 -1.54 -2.12 0.00 0.00 175.29 170.64 1upn s SER 92 N -2.97 3.10 -0.06 5.90 1.04 -1.26 -0.99 113.70 118.46 1upn s SER 92 Ca 0.62 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1upn s SER 92 Cb -0.15 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 1upn s SER 92 CO 0.40 -0.12 -0.21 -0.69 0.98 0.00 0.00 173.24 173.60 1upn s VAL 93 N -2.77 1.74 0.17 5.02 1.01 -0.06 -4.98 120.40 120.53 1upn s VAL 93 Ca 0.27 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.49 1upn s VAL 93 Cb -0.01 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1upn s VAL 93 CO 0.12 0.49 -0.21 0.42 0.00 0.00 0.00 175.10 175.92 1upn s THR 94 N 0.09 2.57 0.20 3.92 -4.23 -1.26 -1.25 115.64 115.68 1upn s THR 94 Ca -0.08 -1.86 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1upn s THR 94 Cb -0.14 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1upn s THR 94 CO 0.04 -0.07 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.55 1upn s TYR 95 N -1.54 1.99 0.03 3.99 1.51 -0.37 -0.77 117.35 122.19 1upn s TYR 95 Ca 0.20 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1upn s TYR 95 Cb -0.09 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1upn s TYR 95 CO 0.10 0.44 -0.05 0.00 -1.11 0.00 0.00 175.55 174.94 1upn s ALA 96 N -2.18 0.37 0.35 3.71 0.00 -0.76 -4.90 121.76 118.35 1upn s ALA 96 Ca 0.20 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1upn s ALA 96 Cb -0.05 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1upn s ALA 96 CO 0.09 -0.13 0.62 0.00 0.00 0.00 0.00 175.76 176.35 1upn s ASN 98 N -3.53 4.25 0.24 0.00 0.01 -0.45 -4.85 114.94 110.61 1upn s ASN 98 Ca 0.45 1.28 -0.31 0.00 -0.71 0.00 0.00 52.86 53.56 1upn s ASN 98 Cb -0.10 -1.99 -0.13 0.00 0.41 0.00 0.00 41.25 39.44 1upn s ASN 98 CO 0.34 -2.12 1.52 1.17 -1.51 0.00 0.00 177.10 176.51 1upn n LYS 99 N -3.53 2.32 -0.00 -0.60 4.81 -1.26 -1.68 118.16 118.21 1upn n LYS 99 Ca 0.07 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1upn n LYS 99 Cb 0.57 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1upn n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1upn n GLY 100 N 2.59 0.16 3.32 3.14 0.00 -1.26 -5.07 105.19 108.07 1upn n GLY 100 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1upn n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1upn s PHE 101 N -2.03 1.81 0.01 1.61 0.40 -0.68 -4.40 117.98 114.71 1upn s PHE 101 Ca 0.00 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1upn s PHE 101 Cb 0.00 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1upn s PHE 101 CO 0.00 0.30 -0.22 0.95 0.70 0.00 0.00 175.22 176.95 1upn s THR 102 N -1.84 1.76 0.22 0.64 -4.23 0.76 -4.70 115.64 108.26 1upn s THR 102 Ca 0.13 -1.08 -0.14 0.00 -1.18 0.00 0.00 61.69 59.43 1upn s THR 102 Cb -0.07 -1.49 -0.08 0.00 1.34 0.00 0.00 72.50 72.21 1upn s THR 102 CO 0.06 0.38 0.61 -0.32 -0.54 0.00 0.00 174.62 174.81 1upn s MET 103 N -0.83 3.97 -0.01 3.99 1.75 -1.26 -0.84 119.30 126.08 1upn s MET 103 Ca 0.09 0.52 0.01 0.00 -1.25 0.00 0.00 55.69 55.05 1upn s MET 103 Cb -0.09 -2.73 0.00 0.00 2.84 0.00 0.00 34.83 34.85 1upn s MET 103 CO 0.00 0.35 -0.02 -1.50 -0.65 0.00 0.00 175.02 173.21 1upn s ILE 104 N -1.69 0.17 0.00 10.11 2.07 -0.67 -4.98 121.20 126.22 1upn s ILE 104 Ca 0.45 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 1upn s ILE 104 Cb -0.13 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.28 1upn s ILE 104 CO 0.20 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 1upn n GLY 105 N 3.24 -0.80 3.72 1.50 0.00 -1.26 -1.63 105.19 109.95 1upn n GLY 105 Ca -0.15 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 1upn n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upn s GLU 106 N -0.14 4.54 0.21 1.61 0.41 -1.26 -4.92 118.70 119.15 1upn s GLU 106 Ca 0.00 1.57 0.26 0.00 -0.41 0.00 0.00 54.97 56.39 1upn s GLU 106 Cb 0.00 -3.39 0.84 0.00 -1.78 0.00 0.00 34.13 29.81 1upn s GLU 106 CO 0.00 -0.06 1.77 -2.39 -0.49 0.00 0.00 175.26 174.09 1upn n HIS 107 N 3.55 0.90 -4.15 1.61 1.44 -1.26 -3.61 115.22 113.70 1upn n HIS 107 Ca 0.06 0.28 -0.16 0.00 -2.01 0.00 0.00 57.72 55.89 1upn n HIS 107 Cb 0.49 -0.95 -0.12 0.00 0.12 0.00 0.00 29.99 29.53 1upn n HIS 107 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1upn s SER 108 N -4.47 1.16 0.21 4.39 1.04 -1.26 -1.24 113.70 113.54 1upn s SER 108 Ca 0.10 -0.50 0.09 0.00 0.48 0.00 0.00 55.95 56.12 1upn s SER 108 Cb 0.12 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1upn s SER 108 CO 0.56 -0.10 -0.18 0.27 0.98 0.00 0.00 173.24 174.77 1upn s ILE 109 N -1.12 2.02 0.11 -1.02 -4.36 -0.38 -4.95 121.20 111.49 1upn s ILE 109 Ca -0.05 -2.17 0.07 0.00 -0.26 0.00 0.00 60.65 58.25 1upn s ILE 109 Cb -0.09 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1upn s ILE 109 CO 0.01 -0.42 -0.17 -0.31 0.24 0.00 0.00 174.94 174.29 1upn s TYR 110 N -2.46 1.55 -0.22 1.37 1.51 -1.26 -0.88 117.35 116.95 1upn s TYR 110 Ca 0.22 -0.47 -0.26 0.00 -1.01 0.00 0.00 57.07 55.55 1upn s TYR 110 Cb -0.04 -0.83 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1upn s TYR 110 CO 0.09 0.17 0.90 0.00 -1.11 0.00 0.00 175.55 175.61 1upn n THR 112 N 5.16 0.00 -5.18 0.00 5.66 0.29 -0.67 114.28 119.52 1upn n THR 112 Ca 0.07 -2.45 -0.31 0.00 -3.05 0.00 0.00 64.05 58.32 1upn n THR 112 Cb 0.47 0.60 -0.17 0.00 -1.55 0.00 0.00 70.33 69.68 1upn n THR 112 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1upn s VAL 113 N -2.94 1.98 -0.14 1.08 1.01 -1.26 -0.82 120.40 119.31 1upn s VAL 113 Ca 0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1upn s VAL 113 Cb 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.73 1upn s VAL 113 CO 0.04 0.55 0.00 0.20 0.00 0.00 0.00 175.10 175.89 1upn s ASN 114 N 0.17 2.36 -1.40 3.32 0.02 0.78 -4.82 114.94 115.37 1upn s ASN 114 Ca -0.13 -0.49 -0.08 0.00 -1.02 0.00 0.00 52.86 51.14 1upn s ASN 114 Cb -0.16 -0.60 0.01 0.00 0.02 0.00 0.00 41.25 40.52 1upn s ASN 114 CO 0.07 -0.23 0.99 -3.20 0.02 0.00 0.00 177.10 174.74 1upn n ASN 115 N 5.05 -6.25 0.00 -1.22 4.05 -1.26 -1.56 115.26 114.07 1upn n ASN 115 Ca -0.09 -0.45 0.00 0.00 0.45 0.00 0.00 54.58 54.49 1upn n ASN 115 Cb 0.48 -4.94 0.00 0.00 1.23 0.00 0.00 39.78 36.56 1upn n ASN 115 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1upn n ASP 116 N -2.78 -0.23 -4.40 1.20 4.64 -1.26 -5.01 116.55 108.70 1upn n ASP 116 Ca -0.03 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.07 1upn n ASP 116 Cb 0.58 -0.35 -0.14 0.00 -1.04 0.00 0.00 41.12 40.16 1upn n ASP 116 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 1upn s GLU 117 N -0.13 2.24 0.01 -0.67 -1.05 -0.60 -4.95 118.70 113.53 1upn s GLU 117 Ca 0.00 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.66 1upn s GLU 117 Cb 0.00 -2.20 -0.05 0.00 -0.44 0.00 0.00 34.13 31.45 1upn s GLU 117 CO 0.00 0.58 1.22 0.20 0.95 0.00 0.00 175.26 178.21 1upn s GLY 118 N -0.85 2.22 0.00 -3.83 0.00 -1.26 -0.16 107.32 103.45 1upn s GLY 118 Ca 0.12 0.76 -0.00 0.00 0.00 0.00 0.00 44.72 45.59 1upn s GLY 118 CO 0.01 2.16 -0.00 -0.54 0.00 0.00 0.00 173.10 174.73 1upn s GLU 119 N 1.69 0.10 0.23 2.90 2.02 -0.00 -4.44 118.70 121.20 1upn s GLU 119 Ca 0.58 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.10 1upn s GLU 119 Cb -0.28 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 33.90 1upn s GLU 119 CO 0.26 -0.02 1.20 -1.58 0.02 0.00 0.00 175.26 175.15 1upn s TRP 120 N -0.44 3.39 0.00 1.61 0.52 -1.26 -0.55 118.94 122.21 1upn s TRP 120 Ca -0.05 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.54 1upn s TRP 120 Cb -0.03 -3.45 0.00 0.00 -1.15 0.00 0.00 33.47 28.84 1upn s TRP 120 CO -0.00 -1.22 0.00 -1.13 0.02 0.00 0.00 176.95 174.62 1upn n SER 121 N 1.93 0.00 -3.81 2.95 3.41 0.13 -4.88 113.62 113.35 1upn n SER 121 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 1upn n SER 121 Cb 0.44 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1upn n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upn n GLY 122 N 0.00 -1.82 3.78 5.00 0.00 -1.26 -4.90 105.19 105.99 1upn n GLY 122 Ca 0.00 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1upn n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1upn s PRO 123 N -2.30 4.36 0.75 1.61 0.04 -1.26 -4.93 135.00 133.27 1upn s PRO 123 Ca 0.17 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 1upn s PRO 123 Cb 0.01 -2.66 0.05 0.00 0.04 0.00 0.00 34.50 31.94 1upn s PRO 123 CO 0.25 0.05 1.12 -1.25 0.04 0.00 0.00 177.00 177.20 1upn s PRO 124 N -2.30 2.26 0.95 0.56 0.04 -1.26 -4.59 135.00 130.65 1upn s PRO 124 Ca 0.54 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1upn s PRO 124 Cb -0.21 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.61 1upn s PRO 124 CO 0.26 -1.67 1.12 -1.25 0.04 0.00 0.00 177.00 175.50 1upn s PRO 125 N -4.47 0.85 0.11 0.56 0.04 -1.24 -4.85 135.00 126.00 1upn s PRO 125 Ca 0.66 0.37 0.10 0.00 0.04 0.00 0.00 61.00 62.17 1upn s PRO 125 Cb -0.21 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1upn s PRO 125 CO 0.50 -2.42 -0.24 -1.21 0.04 0.00 0.00 177.00 173.68 1upn s GLU 126 N -5.16 1.60 -0.16 4.56 2.02 -0.65 -4.92 118.70 116.01 1upn s GLU 126 Ca 0.64 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.37 1upn s GLU 126 Cb -0.16 -1.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 1upn s GLU 126 CO 0.55 0.47 -0.11 0.00 0.02 0.00 0.00 175.26 176.19 1upn s ARG 128 N 0.72 2.56 0.00 0.00 1.81 -0.02 -4.84 118.95 119.17 1upn s ARG 128 Ca -0.05 -0.81 0.25 0.00 -1.72 0.00 0.00 55.73 53.39 1upn s ARG 128 Cb -0.15 -2.27 0.38 0.00 -0.45 0.00 0.00 34.95 32.46 1upn s ARG 128 CO 0.02 0.47 1.37 0.41 -0.68 0.00 0.00 175.30 176.89