#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usp s ASN 3 N 0.00 7.00 0.46 0.00 0.01 -1.26 -4.95 114.94 116.20 1usp s ASN 3 Ca 0.00 1.20 0.25 0.00 -0.71 0.00 0.00 52.86 53.60 1usp s ASN 3 Cb 0.00 -2.41 1.03 0.00 0.41 0.00 0.00 41.25 40.28 1usp s ASN 3 CO 0.00 -0.06 1.88 -0.37 -1.51 0.00 0.00 177.10 177.04 1usp h VAL 4 N 4.58 0.55 -2.01 1.60 -1.51 -2.12 -3.44 116.25 113.89 1usp h VAL 4 Ca -0.42 -1.01 -0.04 0.00 -1.23 0.00 0.00 66.70 64.00 1usp h VAL 4 Cb 1.20 1.68 -0.21 0.00 -2.13 0.00 0.00 31.29 31.83 1usp h VAL 4 CO 0.74 0.20 0.13 -0.47 -1.23 0.00 0.00 177.57 176.94 1usp s TYR 5 N -3.75 -0.77 -0.09 5.19 5.04 -1.26 -5.16 117.35 116.55 1usp s TYR 5 Ca -0.00 1.85 0.02 0.00 -2.44 0.00 0.00 57.07 56.49 1usp s TYR 5 Cb 0.11 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.71 1usp s TYR 5 CO 0.62 -0.40 -0.13 0.99 -1.34 0.00 0.00 175.55 175.30 1usp s THR 6 N 0.24 1.25 0.17 4.34 2.01 -1.26 -5.15 115.64 117.24 1usp s THR 6 Ca -0.01 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1usp s THR 6 Cb -0.05 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1usp s THR 6 CO 0.02 0.39 0.17 0.00 -0.69 0.00 0.00 174.62 174.51 1usp s ALA 7 N 0.89 3.64 -0.00 7.40 0.00 -1.26 -5.14 121.76 127.30 1usp s ALA 7 Ca -0.10 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 1usp s ALA 7 Cb -0.15 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1usp s ALA 7 CO 0.01 0.49 0.01 -2.00 0.00 0.00 0.00 175.76 174.26 1usp s GLU 8 N -3.19 0.01 -0.04 0.00 2.12 -1.26 -5.08 118.70 111.25 1usp s GLU 8 Ca 0.32 0.02 -0.09 0.00 0.36 0.00 0.00 54.97 55.57 1usp s GLU 8 Cb -0.10 -0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.30 1usp s GLU 8 CO 0.24 -0.01 0.22 0.00 -0.54 0.00 0.00 175.26 175.18 1usp s ALA 9 N 0.04 -0.55 -0.08 6.30 0.00 -1.26 -0.87 121.76 125.35 1usp s ALA 9 Ca -0.00 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1usp s ALA 9 Cb -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1usp s ALA 9 CO -0.00 -0.18 -0.22 0.99 0.00 0.00 0.00 175.76 176.35 1usp s THR 10 N -0.69 1.86 0.03 0.00 2.01 -0.26 -4.92 115.64 113.66 1usp s THR 10 Ca -0.08 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.05 1usp s THR 10 Cb -0.04 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1usp s THR 10 CO 0.02 0.52 -0.13 0.00 -0.69 0.00 0.00 174.62 174.34 1usp s ALA 11 N 0.23 2.80 0.26 7.40 0.00 -1.26 -1.61 121.76 129.58 1usp s ALA 11 Ca -0.13 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 50.79 1usp s ALA 11 Cb -0.16 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1usp s ALA 11 CO 0.06 0.59 0.16 0.95 0.00 0.00 0.00 175.76 177.53 1usp s THR 12 N -0.97 4.25 0.54 0.00 -4.23 0.08 -4.98 115.64 110.32 1usp s THR 12 Ca 0.16 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1usp s THR 12 Cb -0.11 -3.30 0.09 0.00 1.34 0.00 0.00 72.50 70.53 1usp s THR 12 CO 0.07 -0.35 0.74 0.61 -0.54 0.00 0.00 174.62 175.15 1usp n GLY 13 N -1.13 1.90 0.51 3.99 0.00 -1.26 -3.51 105.19 105.70 1usp n GLY 13 Ca -0.07 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1usp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1usp n GLY 14 N -1.50 -1.90 0.11 -0.02 0.00 -1.26 -3.94 105.19 96.69 1usp n GLY 14 Ca 0.15 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1usp n GLY 14 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1usp h ARG 15 N 0.00 0.00 -1.22 1.61 -0.00 -1.96 -3.27 114.38 109.53 1usp h ARG 15 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.62 1usp h ARG 15 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 29.79 1usp h ARG 15 CO 0.00 0.35 0.46 0.00 -0.00 0.00 0.00 179.97 180.78 1usp n ALA 16 N -2.31 4.89 -1.67 0.08 0.00 -1.26 -4.80 120.51 115.43 1usp n ALA 16 Ca -0.04 -1.89 -0.32 0.00 0.00 0.00 0.00 53.44 51.18 1usp n ALA 16 Cb 0.78 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1usp n ALA 16 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1usp s GLY 17 N -0.30 2.03 0.10 0.00 0.00 -1.24 -4.93 107.32 102.97 1usp s GLY 17 Ca 0.36 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.40 1usp s GLY 17 CO 0.03 0.62 -0.06 -0.51 0.00 0.00 0.00 173.10 173.17 1usp s THR 18 N -2.59 0.67 -0.03 0.90 -4.23 -1.23 -1.17 115.64 107.97 1usp s THR 18 Ca 0.62 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1usp s THR 18 Cb -0.15 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 72.02 1usp s THR 18 CO 0.40 -0.87 -0.03 0.28 -0.54 0.00 0.00 174.62 173.85 1usp s THR 19 N -3.64 0.38 -0.17 3.99 -1.32 -0.22 -0.74 115.64 113.93 1usp s THR 19 Ca 0.12 -0.09 -0.07 0.00 -1.21 0.00 0.00 61.69 60.44 1usp s THR 19 Cb 0.05 -0.40 0.07 0.00 -1.51 0.00 0.00 72.50 70.72 1usp s THR 19 CO -0.05 0.16 0.37 -0.60 -2.21 0.00 0.00 174.62 172.30 1usp s ARG 20 N 0.59 0.30 0.69 7.08 3.52 -0.63 -0.90 118.95 129.60 1usp s ARG 20 Ca -0.07 0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 56.29 1usp s ARG 20 Cb -0.10 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 1usp s ARG 20 CO -0.00 -0.22 1.06 -1.54 -0.81 0.00 0.00 175.30 173.78 1usp s SER 21 N 2.10 5.36 0.49 -2.12 1.04 0.56 -1.10 113.70 120.03 1usp s SER 21 Ca -0.04 1.65 0.32 0.00 0.48 0.00 0.00 55.95 58.36 1usp s SER 21 Cb -0.11 -2.50 1.44 0.00 0.10 0.00 0.00 66.02 64.95 1usp s SER 21 CO -0.12 -1.46 1.97 0.77 0.98 0.00 0.00 173.24 175.38 1usp h SER 22 N -0.65 0.00 -0.44 7.02 4.64 -1.33 -2.09 113.55 120.69 1usp h SER 22 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1usp h SER 22 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1usp h SER 22 CO 0.56 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1usp n ASP 23 N -2.85 3.40 0.00 4.97 5.68 -1.26 -4.98 116.55 121.51 1usp n ASP 23 Ca 0.00 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1usp n ASP 23 Cb 0.24 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1usp n ASP 23 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1usp n ASP 24 N 1.33 -4.05 -0.03 -1.12 9.92 -0.79 -4.87 116.55 116.94 1usp n ASP 24 Ca 0.19 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.53 1usp n ASP 24 Cb 0.56 -2.97 0.48 0.00 -0.64 0.00 0.00 41.12 38.55 1usp n ASP 24 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1usp h ARG 25 N 0.13 0.43 -5.26 -1.24 3.08 -1.94 -3.36 114.38 106.23 1usp h ARG 25 Ca 0.00 -0.03 -0.66 0.00 0.07 0.00 0.00 59.98 59.36 1usp h ARG 25 Cb 0.65 -0.10 -0.29 0.00 0.08 0.00 0.00 29.97 30.31 1usp h ARG 25 CO 0.00 0.29 -0.79 -0.51 -1.07 0.00 0.00 179.97 177.89 1usp s LEU 26 N -9.39 2.56 -0.36 3.04 1.43 -1.26 -5.03 118.68 109.68 1usp s LEU 26 Ca -0.08 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1usp s LEU 26 Cb 0.19 -1.58 0.15 0.00 0.03 0.00 0.00 46.19 44.98 1usp s LEU 26 CO 0.74 0.12 0.37 0.21 0.23 0.00 0.00 176.35 178.02 1usp s ASN 27 N 0.58 1.23 0.07 2.29 2.47 -1.26 -0.32 114.94 120.00 1usp s ASN 27 Ca -0.09 -1.52 0.07 0.00 0.42 0.00 0.00 52.86 51.74 1usp s ASN 27 Cb -0.16 0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 40.16 1usp s ASN 27 CO 0.03 -0.27 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.20 1usp s LEU 28 N 1.50 2.24 0.38 3.21 1.43 -0.08 -5.02 118.68 122.35 1usp s LEU 28 Ca 0.16 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 1usp s LEU 28 Cb -0.15 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1usp s LEU 28 CO -0.06 0.04 0.67 -1.81 0.23 0.00 0.00 176.35 175.42 1usp s ASP 29 N -1.58 6.37 -0.11 2.29 1.01 -1.26 -1.05 116.67 122.34 1usp s ASP 29 Ca 0.04 0.82 0.03 0.00 0.71 0.00 0.00 52.55 54.14 1usp s ASP 29 Cb -0.09 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.64 1usp s ASP 29 CO 0.03 -0.38 -0.22 -0.76 0.21 0.00 0.00 175.17 174.05 1usp s LEU 30 N -4.14 2.22 -0.01 1.23 1.43 -0.31 -1.23 118.68 117.86 1usp s LEU 30 Ca 0.46 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1usp s LEU 30 Cb -0.10 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1usp s LEU 30 CO 0.36 0.15 -0.11 -0.44 0.23 0.00 0.00 176.35 176.54 1usp s SER 31 N 0.39 1.39 -0.00 2.29 0.01 -0.57 -4.17 113.70 113.04 1usp s SER 31 Ca -0.16 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1usp s SER 31 Cb -0.17 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 1usp s SER 31 CO 0.07 0.13 1.28 -0.69 0.41 0.00 0.00 173.24 174.44 1usp s VAL 32 N -0.16 3.96 0.50 3.43 1.01 -1.26 -4.44 120.40 123.44 1usp s VAL 32 Ca 0.02 1.34 -0.23 0.00 0.00 0.00 0.00 61.98 63.12 1usp s VAL 32 Cb -0.06 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1usp s VAL 32 CO -0.00 0.03 1.26 -2.65 0.00 0.00 0.00 175.10 173.73 1usp n PRO 33 N 4.92 1.68 -0.29 2.72 -0.02 -1.26 -1.63 135.00 141.11 1usp n PRO 33 Ca 0.11 0.61 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 1usp n PRO 33 Cb 0.45 -2.43 0.21 0.00 -0.02 0.00 0.00 33.50 31.71 1usp n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1usp h ALA 34 N 1.58 1.24 0.00 3.55 0.00 -1.87 -1.93 119.26 121.83 1usp h ALA 34 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1usp h ALA 34 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1usp h ALA 34 CO 0.57 -0.04 0.00 0.39 0.00 0.00 0.00 179.25 180.17 1usp n GLU 35 N -4.84 0.00 -0.04 0.00 4.71 -1.26 -3.65 120.64 115.57 1usp n GLU 35 Ca 0.16 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.34 1usp n GLU 35 Cb 0.39 -1.35 0.05 0.00 -1.01 0.00 0.00 31.44 29.51 1usp n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1usp n GLY 37 N 1.00 3.41 4.00 0.62 0.00 -1.20 -5.24 105.19 107.77 1usp n GLY 37 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1usp n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1usp s GLY 38 N -1.63 1.80 0.00 -0.02 0.00 -0.73 -4.99 107.32 101.76 1usp s GLY 38 Ca 0.11 -1.70 0.15 0.00 0.00 0.00 0.00 44.72 43.28 1usp s GLY 38 CO 0.01 -1.30 1.47 2.09 0.00 0.00 0.00 173.10 175.37 1usp n ASP 39 N -2.40 0.00 -2.97 1.64 5.75 -1.20 -3.95 116.55 113.42 1usp n ASP 39 Ca 0.12 0.44 -0.22 0.00 -0.01 0.00 0.00 54.79 55.12 1usp n ASP 39 Cb 0.60 -0.47 0.02 0.00 -1.03 0.00 0.00 41.12 40.25 1usp n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1usp n GLY 40 N 0.02 -0.52 1.29 6.12 0.00 -0.64 -4.83 105.19 106.63 1usp n GLY 40 Ca 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1usp n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1usp n GLY 41 N -1.39 -2.21 0.06 -0.02 0.00 -1.26 -4.80 105.19 95.57 1usp n GLY 41 Ca -0.12 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.49 1usp n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1usp n PRO 42 N -2.51 0.12 -1.26 1.61 -0.04 -1.26 -4.84 135.00 126.82 1usp n PRO 42 Ca 0.06 0.23 -0.32 0.00 -0.04 0.00 0.00 63.50 63.42 1usp n PRO 42 Cb 0.21 -1.68 0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1usp n PRO 42 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1usp s GLY 43 N -3.29 1.90 0.07 0.55 0.00 -1.26 -4.94 107.32 100.35 1usp s GLY 43 Ca 0.09 0.52 -0.00 0.00 0.00 0.00 0.00 44.72 45.32 1usp s GLY 43 CO 0.45 0.89 0.09 -0.37 0.00 0.00 0.00 173.10 174.16 1usp n THR 44 N -3.32 0.00 -3.88 0.90 5.66 -0.37 -3.76 114.28 109.51 1usp n THR 44 Ca 0.11 -0.13 -0.09 0.00 -3.05 0.00 0.00 64.05 60.89 1usp n THR 44 Cb 0.52 -1.49 -0.05 0.00 -1.55 0.00 0.00 70.33 67.77 1usp n THR 44 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1usp s ASN 45 N -1.37 -0.15 0.37 1.09 2.20 -1.26 -1.51 114.94 114.31 1usp s ASN 45 Ca 0.06 -0.71 0.07 0.00 -0.94 0.00 0.00 52.86 51.34 1usp s ASN 45 Cb -0.00 0.56 0.78 0.00 -2.00 0.00 0.00 41.25 40.59 1usp s ASN 45 CO 0.04 -1.07 1.97 -0.65 -2.94 0.00 0.00 177.10 174.45 1usp h PRO 46 N 2.27 0.68 -0.07 3.55 0.11 -1.99 -1.25 132.00 135.31 1usp h PRO 46 Ca -0.28 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.61 1usp h PRO 46 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1usp h PRO 46 CO 0.38 0.45 -0.73 0.93 -0.21 0.00 0.00 178.00 178.82 1usp h GLU 47 N 0.71 0.38 -0.07 1.05 3.07 -1.97 -1.01 114.58 116.73 1usp h GLU 47 Ca 0.29 -0.32 -0.21 0.00 -0.50 0.00 0.00 59.36 58.63 1usp h GLU 47 Cb 0.25 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1usp h GLU 47 CO -0.09 0.96 -0.81 0.37 -1.40 0.00 0.00 179.01 178.04 1usp h GLN 48 N 0.26 0.49 -0.60 2.33 4.15 -1.81 -0.52 115.11 119.41 1usp h GLN 48 Ca -0.03 -0.44 -0.07 0.00 0.77 0.00 0.00 58.65 58.88 1usp h GLN 48 Cb 1.31 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1usp h GLN 48 CO 0.12 1.07 0.09 -0.07 -1.93 0.00 0.00 178.83 178.12 1usp h LEU 49 N 0.32 0.92 -0.45 -2.39 3.38 -1.18 -1.26 115.31 114.65 1usp h LEU 49 Ca -0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1usp h LEU 49 Cb 1.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1usp h LEU 49 CO 0.14 0.93 0.10 0.15 0.09 0.00 0.00 178.44 179.85 1usp h PHE 50 N 0.91 0.78 -0.54 1.13 3.57 -0.97 -1.21 116.94 120.61 1usp h PHE 50 Ca 0.18 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1usp h PHE 50 Cb 0.41 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1usp h PHE 50 CO 0.03 0.72 0.34 0.00 -2.23 0.00 0.00 178.31 177.17 1usp h ALA 51 N 0.96 0.69 -0.32 2.41 0.00 -0.90 -0.46 119.26 121.64 1usp h ALA 51 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1usp h ALA 51 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1usp h ALA 51 CO 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 179.25 179.17 1usp h ALA 52 N 1.18 0.99 -0.25 0.00 0.00 -1.06 -2.02 119.26 118.10 1usp h ALA 52 Ca 0.20 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1usp h ALA 52 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1usp h ALA 52 CO -0.04 0.60 -0.55 0.78 0.00 0.00 0.00 179.25 180.03 1usp h GLY 53 N 1.00 0.89 0.97 0.00 0.00 -1.01 -2.03 103.07 102.89 1usp h GLY 53 Ca 0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 47.33 46.20 1usp h GLY 53 CO 0.05 0.97 -0.32 -1.82 0.00 0.00 0.00 176.54 175.42 1usp h TYR 54 N 0.57 0.84 -0.45 5.60 -0.00 -0.99 0.20 116.97 122.74 1usp h TYR 54 Ca 0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 58.73 58.48 1usp h TYR 54 Cb 1.17 -0.17 -0.03 0.00 -0.00 0.00 0.00 36.73 37.70 1usp h TYR 54 CO 0.08 1.02 0.29 0.00 -0.00 0.00 0.00 178.16 179.54 1usp h ALA 55 N 0.68 0.57 -0.58 1.82 0.00 -1.41 -0.43 119.26 119.92 1usp h ALA 55 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1usp h ALA 55 Cb 0.90 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1usp h ALA 55 CO 0.08 -0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.57 1usp h ALA 56 N 1.18 0.75 -0.87 0.00 0.00 -1.21 -2.44 119.26 116.68 1usp h ALA 56 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1usp h ALA 56 Cb -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1usp h ALA 56 CO -0.05 0.34 0.47 0.00 0.00 0.00 0.00 179.25 180.01 1usp h PHE 58 N 1.21 0.99 -0.58 0.00 -1.00 -0.95 -0.07 116.94 116.54 1usp h PHE 58 Ca 0.30 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 1usp h PHE 58 Cb 0.03 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 1usp h PHE 58 CO 0.01 0.90 0.31 1.96 -1.61 0.00 0.00 178.31 179.88 1usp h GLN 59 N 0.84 0.81 -0.68 1.51 1.08 -1.07 0.78 115.11 118.38 1usp h GLN 59 Ca 0.15 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1usp h GLN 59 Cb 0.52 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 1usp h GLN 59 CO 0.03 0.63 0.42 0.78 -0.95 0.00 0.00 178.83 179.74 1usp h GLY 60 N 0.78 0.98 1.72 3.46 0.00 -0.98 -2.64 103.07 106.40 1usp h GLY 60 Ca 0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1usp h GLY 60 CO -0.03 0.27 -0.32 0.00 0.00 0.00 0.00 176.54 176.46 1usp h ALA 61 N 1.30 1.16 -0.67 3.60 0.00 -0.49 -2.36 119.26 121.80 1usp h ALA 61 Ca 0.28 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1usp h ALA 61 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1usp h ALA 61 CO -0.11 0.54 0.27 -0.07 0.00 0.00 0.00 179.25 179.88 1usp h LEU 62 N 0.28 0.89 -0.59 0.00 3.38 -0.52 -0.87 115.31 117.89 1usp h LEU 62 Ca 0.04 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1usp h LEU 62 Cb 0.70 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1usp h LEU 62 CO 0.05 0.80 0.19 1.23 0.09 0.00 0.00 178.44 180.80 1usp h GLY 63 N 1.04 0.98 0.99 0.83 0.00 -1.14 -0.19 103.07 105.59 1usp h GLY 63 Ca 0.23 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1usp h GLY 63 CO -0.02 0.54 -0.08 -2.08 0.00 0.00 0.00 176.54 174.90 1usp h VAL 64 N 0.83 0.84 -0.99 4.60 2.07 -1.08 -1.65 116.25 120.87 1usp h VAL 64 Ca 0.19 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.77 1usp h VAL 64 Cb 0.28 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1usp h VAL 64 CO -0.01 0.01 0.64 0.58 0.02 0.00 0.00 177.57 178.81 1usp h VAL 65 N -0.25 1.02 -0.44 2.57 2.07 -1.08 -0.54 116.25 119.60 1usp h VAL 65 Ca -0.02 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1usp h VAL 65 Cb 0.19 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1usp h VAL 65 CO 0.04 0.20 -0.06 -1.28 0.02 0.00 0.00 177.57 176.49 1usp h SER 66 N 1.08 0.81 -0.22 0.57 0.87 -0.72 -1.43 113.55 114.52 1usp h SER 66 Ca 0.45 -0.34 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1usp h SER 66 Cb 0.31 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1usp h SER 66 CO -0.21 0.96 -0.42 0.03 -0.53 0.00 0.00 176.83 176.66 1usp h ARG 67 N 0.65 0.66 -0.15 2.24 3.08 -0.98 -1.48 114.38 118.40 1usp h ARG 67 Ca 0.12 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1usp h ARG 67 Cb 0.58 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1usp h ARG 67 CO 0.03 1.04 -0.00 0.00 -1.07 0.00 0.00 179.97 179.98 1usp h ARG 68 N 0.36 0.27 -0.08 0.04 3.08 -1.05 -3.25 114.38 113.76 1usp h ARG 68 Ca 0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1usp h ARG 68 Cb 1.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1usp h ARG 68 CO 0.09 0.50 0.00 0.09 -1.07 0.00 0.00 179.97 179.59 1usp n ASN 69 N -4.75 2.24 -3.82 7.04 3.02 -0.54 -4.96 115.26 113.50 1usp n ASN 69 Ca -0.05 -1.75 -0.25 0.00 -0.03 0.00 0.00 54.58 52.49 1usp n ASN 69 Cb 0.22 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.36 1usp n ASN 69 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1usp n LYS 70 N 0.74 -3.35 -4.57 3.52 4.01 -0.61 -4.99 118.16 112.91 1usp n LYS 70 Ca 0.17 0.48 -0.27 0.00 -0.51 0.00 0.00 58.31 58.18 1usp n LYS 70 Cb 0.46 -4.65 -0.14 0.00 -0.51 0.00 0.00 35.03 30.19 1usp n LYS 70 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1usp s ILE 71 N -3.77 1.90 -0.21 -0.18 -0.00 -0.89 -5.05 121.20 112.99 1usp s ILE 71 Ca 0.10 -1.43 -0.15 0.00 -0.00 0.00 0.00 60.65 59.17 1usp s ILE 71 Cb -0.03 -1.67 -0.04 0.00 -0.00 0.00 0.00 42.46 40.72 1usp s ILE 71 CO 0.86 0.16 0.36 -1.81 -0.00 0.00 0.00 174.94 174.50 1usp s ASP 72 N -1.53 6.38 -0.27 4.36 1.01 -1.26 -4.55 116.67 120.81 1usp s ASP 72 Ca 0.09 0.45 -0.08 0.00 0.71 0.00 0.00 52.55 53.72 1usp s ASP 72 Cb -0.10 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 1usp s ASP 72 CO 0.03 -0.05 0.11 -0.69 0.21 0.00 0.00 175.17 174.78 1usp s VAL 73 N 1.25 4.57 0.22 -1.27 1.01 -1.26 -5.07 120.40 119.85 1usp s VAL 73 Ca 0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1usp s VAL 73 Cb -0.14 -3.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.90 1usp s VAL 73 CO 0.07 0.27 1.04 -2.65 0.00 0.00 0.00 175.10 173.83 1usp n PRO 74 N 4.96 1.10 0.24 2.72 -0.02 -1.26 -4.86 135.00 137.87 1usp n PRO 74 Ca -0.15 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 1usp n PRO 74 Cb 0.51 -1.78 0.56 0.00 -0.02 0.00 0.00 33.50 32.77 1usp n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1usp h ALA 75 N 2.58 1.14 -0.52 3.55 0.00 -1.97 -2.42 119.26 121.61 1usp h ALA 75 Ca -0.40 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1usp h ALA 75 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1usp h ALA 75 CO 0.65 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.75 1usp n ASP 76 N -3.53 5.08 -4.77 0.00 5.75 -1.26 -4.97 116.55 112.85 1usp n ASP 76 Ca -0.01 -2.76 -0.38 0.00 -0.01 0.00 0.00 54.79 51.63 1usp n ASP 76 Cb 0.35 -0.65 -0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1usp n ASP 76 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1usp s SER 77 N -0.71 6.19 0.13 -1.12 0.01 -0.91 -4.78 113.70 112.51 1usp s SER 77 Ca 0.48 2.48 0.07 0.00 1.31 0.00 0.00 55.95 60.29 1usp s SER 77 Cb 0.36 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1usp s SER 77 CO 0.15 -0.92 -0.15 0.42 0.41 0.00 0.00 173.24 173.16 1usp s THR 78 N -1.39 1.46 -0.09 1.44 -4.23 -0.57 -4.98 115.64 107.29 1usp s THR 78 Ca 0.61 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1usp s THR 78 Cb -0.34 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 71.89 1usp s THR 78 CO 0.42 -0.40 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.31 1usp s ILE 79 N -2.16 1.43 -0.18 2.99 -1.09 -1.26 -1.06 121.20 119.86 1usp s ILE 79 Ca 0.11 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1usp s ILE 79 Cb -0.05 -1.29 0.00 0.00 -1.58 0.00 0.00 42.46 39.55 1usp s ILE 79 CO 0.04 0.42 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.16 1usp s THR 80 N 0.70 2.80 -0.19 2.92 2.01 -0.06 -4.87 115.64 118.95 1usp s THR 80 Ca -0.13 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 1usp s THR 80 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1usp s THR 80 CO 0.03 0.49 0.05 0.00 -0.69 0.00 0.00 174.62 174.51 1usp s ALA 81 N 1.11 3.34 -0.18 7.40 0.00 -1.26 -0.78 121.76 131.39 1usp s ALA 81 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1usp s ALA 81 Cb -0.14 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 1usp s ALA 81 CO -0.04 0.12 -0.11 1.03 0.00 0.00 0.00 175.76 176.77 1usp s ARG 82 N 0.48 3.31 -0.22 0.00 0.52 0.54 -4.89 118.95 118.70 1usp s ARG 82 Ca 0.02 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1usp s ARG 82 Cb -0.13 -2.78 0.05 0.00 0.52 0.00 0.00 34.95 32.60 1usp s ARG 82 CO 0.01 -0.04 -0.12 0.08 0.02 0.00 0.00 175.30 175.25 1usp s VAL 83 N 1.01 1.91 -0.12 3.52 1.01 -1.26 -0.86 120.40 125.61 1usp s VAL 83 Ca -0.01 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 1usp s VAL 83 Cb -0.15 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1usp s VAL 83 CO -0.02 0.14 0.20 -0.83 0.00 0.00 0.00 175.10 174.59 1usp s GLY 84 N 1.26 2.20 -0.19 4.51 0.00 -0.01 -4.92 107.32 110.17 1usp s GLY 84 Ca -0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 44.72 43.98 1usp s GLY 84 CO -0.08 -0.10 0.37 -2.27 0.00 0.00 0.00 173.10 171.02 1usp s LEU 85 N -0.62 4.18 0.02 0.66 2.96 -1.26 -0.90 118.68 123.71 1usp s LEU 85 Ca 0.15 0.51 0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1usp s LEU 85 Cb -0.13 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1usp s LEU 85 CO 0.04 -0.03 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.72 1usp s GLN 86 N 1.08 2.03 -0.20 1.98 -0.21 0.09 -4.98 119.66 119.45 1usp s GLN 86 Ca 0.18 -0.98 -0.00 0.00 0.02 0.00 0.00 55.36 54.58 1usp s GLN 86 Cb -0.14 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.79 1usp s GLN 86 CO 0.07 0.54 -0.14 0.15 -2.12 0.00 0.00 175.29 173.80 1usp s LYS 87 N -1.06 2.99 -0.13 2.91 3.01 -1.26 -1.54 119.74 124.67 1usp s LYS 87 Ca 0.12 -0.85 -0.01 0.00 -1.01 0.00 0.00 55.97 54.22 1usp s LYS 87 Cb -0.10 -2.75 -0.02 0.00 -1.01 0.00 0.00 37.83 33.95 1usp s LYS 87 CO 0.02 -0.26 -0.08 -0.06 0.51 0.00 0.00 175.35 175.47 1usp s PHE 92 N 1.32 2.92 0.04 3.18 0.40 -1.26 -5.24 117.98 119.34 1usp s PHE 92 Ca 0.03 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1usp s PHE 92 Cb -0.14 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1usp s PHE 92 CO -0.09 -0.02 0.04 0.00 0.70 0.00 0.00 175.22 175.85 1usp s ALA 93 N 0.09 0.15 0.06 5.36 0.00 -0.59 -5.17 121.76 121.67 1usp s ALA 93 Ca -0.03 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1usp s ALA 93 Cb -0.14 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1usp s ALA 93 CO 0.04 -0.33 0.14 -0.51 0.00 0.00 0.00 175.76 175.09 1usp s LEU 94 N -2.36 4.06 -0.03 0.00 1.43 -1.26 -0.73 118.68 119.78 1usp s LEU 94 Ca -0.02 0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1usp s LEU 94 Cb 0.01 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 1usp s LEU 94 CO -0.06 0.18 -0.14 -0.62 0.23 0.00 0.00 176.35 175.94 1usp s ASP 95 N -2.37 1.76 -0.02 2.29 2.15 -0.08 -4.53 116.67 115.87 1usp s ASP 95 Ca 0.31 -0.28 0.03 0.00 0.43 0.00 0.00 52.55 53.04 1usp s ASP 95 Cb -0.13 -0.42 -0.00 0.00 -0.30 0.00 0.00 42.92 42.08 1usp s ASP 95 CO 0.24 0.13 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.57 1usp s VAL 96 N -0.00 0.90 -0.09 1.11 1.01 -0.91 -0.83 120.40 121.59 1usp s VAL 96 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1usp s VAL 96 Cb -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1usp s VAL 96 CO 0.01 0.27 -0.15 -0.70 0.00 0.00 0.00 175.10 174.53 1usp s GLU 97 N 0.03 2.13 -0.15 2.72 2.12 -0.04 -1.74 118.70 123.76 1usp s GLU 97 Ca -0.01 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 1usp s GLU 97 Cb -0.08 -1.77 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 1usp s GLU 97 CO 0.00 -0.01 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.09 1usp s LEU 98 N 0.84 2.74 -0.16 2.70 1.43 -0.37 -0.34 118.68 125.52 1usp s LEU 98 Ca -0.10 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1usp s LEU 98 Cb -0.15 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1usp s LEU 98 CO 0.01 0.12 -0.09 -0.70 0.23 0.00 0.00 176.35 175.92 1usp s GLU 99 N 0.65 1.77 -0.08 1.70 2.12 0.04 -0.75 118.70 124.16 1usp s GLU 99 Ca -0.06 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 1usp s GLU 99 Cb -0.15 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 1usp s GLU 99 CO 0.03 -0.36 0.09 0.20 -0.54 0.00 0.00 175.26 174.67 1usp s GLY 100 N 1.56 2.03 -0.16 -1.50 0.00 -0.44 -0.88 107.32 107.92 1usp s GLY 100 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.00 1usp s GLY 100 CO -0.09 -0.54 -0.19 -1.58 0.00 0.00 0.00 173.10 170.70 1usp s HIS 101 N -1.04 2.74 -0.52 1.90 2.46 -0.23 -1.08 115.29 119.53 1usp s HIS 101 Ca 0.17 -1.41 0.04 0.00 0.47 0.00 0.00 55.06 54.33 1usp s HIS 101 Cb -0.12 -1.88 0.14 0.00 -0.13 0.00 0.00 32.58 30.59 1usp s HIS 101 CO 0.07 -0.67 0.30 -0.06 -2.47 0.00 0.00 174.74 171.90 1usp s PHE 102 N 1.04 2.73 0.03 3.88 0.40 -1.26 -1.51 117.98 123.30 1usp s PHE 102 Ca -0.01 -2.90 -0.35 0.00 -0.60 0.00 0.00 56.93 53.07 1usp s PHE 102 Cb -0.14 -2.39 -0.13 0.00 0.51 0.00 0.00 43.02 40.87 1usp s PHE 102 CO -0.06 -0.72 1.68 -2.30 0.70 0.00 0.00 175.22 174.52 1usp n PRO 103 N 3.04 2.02 0.00 0.24 -0.02 -1.26 -1.99 135.00 137.04 1usp n PRO 103 Ca 0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1usp n PRO 103 Cb 0.34 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1usp n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1usp n GLY 104 N 3.76 1.11 3.90 -1.23 0.00 -1.26 -4.77 105.19 106.70 1usp n GLY 104 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1usp n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1usp s LEU 105 N 0.00 3.94 0.63 0.99 1.43 -0.84 -5.09 118.68 119.74 1usp s LEU 105 Ca 0.00 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 1usp s LEU 105 Cb 0.00 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1usp s LEU 105 CO 0.00 -0.31 1.04 -0.94 0.23 0.00 0.00 176.35 176.37 1usp s SER 106 N -3.32 5.93 0.41 2.29 1.04 -1.26 -4.87 113.70 113.92 1usp s SER 106 Ca 0.46 1.54 0.14 0.00 0.48 0.00 0.00 55.95 58.57 1usp s SER 106 Cb -0.10 -2.49 1.00 0.00 0.10 0.00 0.00 66.02 64.53 1usp s SER 106 CO 0.32 -1.07 1.92 -0.09 0.98 0.00 0.00 173.24 175.30 1usp h ARG 107 N -0.27 0.46 -0.36 4.02 9.65 -1.98 -0.93 114.38 124.97 1usp h ARG 107 Ca -0.44 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.29 1usp h ARG 107 Cb 1.20 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 1usp h ARG 107 CO 0.60 0.30 -0.22 0.93 2.80 0.00 0.00 179.97 184.38 1usp h GLU 108 N 0.47 0.78 -0.23 0.20 3.07 -1.99 -1.56 114.58 115.31 1usp h GLU 108 Ca 0.36 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1usp h GLU 108 Cb 0.75 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1usp h GLU 108 CO -0.12 0.98 0.00 1.96 -1.40 0.00 0.00 179.01 180.43 1usp h GLN 109 N 0.56 0.41 -0.71 2.33 4.20 -1.73 -2.16 115.11 118.01 1usp h GLN 109 Ca 0.07 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1usp h GLN 109 Cb 0.78 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1usp h GLN 109 CO 0.06 0.59 0.46 0.00 -0.67 0.00 0.00 178.83 179.26 1usp h ALA 110 N 0.81 0.91 -0.49 3.87 0.00 -1.20 -1.11 119.26 122.04 1usp h ALA 110 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1usp h ALA 110 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1usp h ALA 110 CO 0.01 0.27 -0.06 0.93 0.00 0.00 0.00 179.25 180.40 1usp h GLU 111 N 0.91 0.87 -0.59 0.00 5.08 -1.24 -2.54 114.58 117.08 1usp h GLU 111 Ca 0.27 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1usp h GLU 111 Cb -0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1usp h GLU 111 CO -0.08 0.91 0.21 0.78 -1.00 0.00 0.00 179.01 179.82 1usp h GLY 112 N 0.98 0.94 -1.38 -3.84 0.00 -0.97 -1.90 103.07 96.89 1usp h GLY 112 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1usp h GLY 112 CO 0.03 0.47 0.00 1.04 0.00 0.00 0.00 176.54 178.08 1usp n LEU 113 N -4.30 0.63 0.00 3.11 4.77 -0.46 -1.64 117.00 119.11 1usp n LEU 113 Ca 0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1usp n LEU 113 Cb 0.19 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1usp n LEU 113 CO 0.39 0.12 0.00 1.41 -1.33 0.00 0.00 177.39 177.99 1usp n HIS 115 N 0.51 0.00 -0.16 -1.77 8.25 -0.72 -1.25 115.22 120.09 1usp n HIS 115 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1usp n HIS 115 Cb 0.12 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 1usp n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1usp h ALA 116 N 0.00 0.64 -0.62 -1.41 0.00 -1.57 -2.93 119.26 113.37 1usp h ALA 116 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1usp h ALA 116 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1usp h ALA 116 CO 0.00 0.57 0.17 0.00 0.00 0.00 0.00 179.25 179.99 1usp h ALA 117 N 0.87 1.13 0.00 0.00 0.00 -1.44 -2.71 119.26 117.12 1usp h ALA 117 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1usp h ALA 117 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1usp h ALA 117 CO 0.05 0.59 -0.15 1.25 0.00 0.00 0.00 179.25 180.99 1usp h HIS 118 N 0.92 0.00 0.00 0.00 6.17 -1.78 -0.29 115.15 120.17 1usp h HIS 118 Ca 0.20 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.27 1usp h HIS 118 Cb 0.30 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.23 1usp h HIS 118 CO 0.02 0.15 -0.08 0.93 0.71 0.00 0.00 177.93 179.66 1usp h GLU 119 N 0.00 0.00 0.02 5.26 4.39 -1.35 -3.37 114.58 119.53 1usp h GLU 119 Ca -0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 1usp h GLU 119 Cb 0.36 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1usp h GLU 119 CO 0.02 0.07 -2.18 0.28 -1.16 0.00 0.00 179.01 176.05 1usp n VAL 120 N -3.12 1.57 -1.68 3.13 0.31 -0.76 -4.95 118.33 112.84 1usp n VAL 120 Ca 0.04 -0.42 -0.49 0.00 -0.01 0.00 0.00 64.34 63.46 1usp n VAL 120 Cb 0.56 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 1usp n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1usp h PRO 122 N 7.82 0.00 -0.78 0.00 0.13 -1.91 -2.51 132.00 134.75 1usp h PRO 122 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1usp h PRO 122 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1usp h PRO 122 CO 0.92 0.18 0.34 1.88 -0.23 0.00 0.00 178.00 181.09 1usp h TYR 123 N 0.00 1.16 -0.51 1.56 -1.99 -1.96 0.12 116.97 115.36 1usp h TYR 123 Ca -0.00 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1usp h TYR 123 Cb 0.44 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1usp h TYR 123 CO 0.00 0.87 0.21 0.77 -0.00 0.00 0.00 178.16 180.01 1usp h SER 124 N 1.12 0.70 -0.45 3.88 0.02 -1.76 -1.62 113.55 115.45 1usp h SER 124 Ca 0.27 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1usp h SER 124 Cb 0.17 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1usp h SER 124 CO -0.03 0.68 0.21 0.00 -1.14 0.00 0.00 176.83 176.55 1usp h ALA 125 N 1.05 0.58 -0.25 3.77 0.00 -1.31 -2.20 119.26 120.90 1usp h ALA 125 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1usp h ALA 125 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1usp h ALA 125 CO -0.01 0.16 0.13 0.00 0.00 0.00 0.00 179.25 179.52 1usp h ALA 126 N 1.05 1.76 -0.30 0.00 0.00 -0.76 -3.04 119.26 117.98 1usp h ALA 126 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1usp h ALA 126 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1usp h ALA 126 CO -0.02 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.68 1usp n THR 127 N -4.46 0.68 -1.67 0.00 -2.24 -0.63 -5.00 114.28 100.97 1usp n THR 127 Ca 0.01 -0.84 -0.45 0.00 -2.27 0.00 0.00 64.05 60.50 1usp n THR 127 Cb 0.10 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1usp n THR 127 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1usp n ARG 128 N 0.75 2.00 -0.09 -0.78 3.00 -0.84 -2.03 116.66 118.68 1usp n ARG 128 Ca 0.12 0.71 0.00 0.00 -0.00 0.00 0.00 57.85 58.69 1usp n ARG 128 Cb 0.43 -2.36 0.00 0.00 0.00 0.00 0.00 32.46 30.52 1usp n ARG 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1usp n ASN 129 N 2.12 0.00 -0.07 6.15 3.02 -1.26 -4.68 115.26 120.55 1usp n ASN 129 Ca 0.12 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.59 1usp n ASN 129 Cb 0.31 -0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 1usp n ASN 129 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1usp n ASN 130 N 0.00 1.76 -4.26 6.41 3.02 -0.86 -4.96 115.26 116.37 1usp n ASN 130 Ca 0.00 -0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.22 1usp n ASN 130 Cb 0.00 0.72 -0.17 0.00 -0.61 0.00 0.00 39.78 39.72 1usp n ASN 130 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1usp s VAL 131 N -2.33 2.09 -0.33 2.41 1.01 -0.93 -4.92 120.40 117.40 1usp s VAL 131 Ca -0.09 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 1usp s VAL 131 Cb 0.04 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1usp s VAL 131 CO 0.54 0.57 1.37 -0.62 0.00 0.00 0.00 175.10 176.96 1usp s ASP 132 N -0.01 6.52 -0.29 3.32 2.15 -1.26 -4.84 116.67 122.26 1usp s ASP 132 Ca -0.08 1.12 -0.06 0.00 0.43 0.00 0.00 52.55 53.96 1usp s ASP 132 Cb -0.15 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 1usp s ASP 132 CO 0.05 -1.22 0.05 -0.69 -0.17 0.00 0.00 175.17 173.19 1usp s VAL 133 N 4.84 3.71 -0.22 1.11 1.01 -1.26 -2.13 120.40 127.46 1usp s VAL 133 Ca 0.60 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1usp s VAL 133 Cb -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1usp s VAL 133 CO 0.27 0.06 0.13 -0.60 0.00 0.00 0.00 175.10 174.96 1usp s ARG 134 N 1.45 4.05 -0.20 2.72 3.52 -0.71 -5.01 118.95 124.76 1usp s ARG 134 Ca 0.01 -0.29 -0.12 0.00 -0.13 0.00 0.00 55.73 55.21 1usp s ARG 134 Cb -0.17 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 1usp s ARG 134 CO 0.01 0.13 0.21 -0.51 -0.81 0.00 0.00 175.30 174.33 1usp s LEU 135 N 0.85 4.18 0.06 -0.88 1.43 -1.26 -1.24 118.68 121.82 1usp s LEU 135 Ca 0.07 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1usp s LEU 135 Cb -0.13 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1usp s LEU 135 CO 0.03 0.10 -0.13 -0.54 0.23 0.00 0.00 176.35 176.03 1usp s LYS 136 N 0.70 0.78 -0.02 1.70 1.02 0.07 -4.99 119.74 119.01 1usp s LYS 136 Ca 0.11 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1usp s LYS 136 Cb -0.13 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.39 1usp s LYS 136 CO 0.02 0.17 -0.10 0.08 -0.92 0.00 0.00 175.35 174.60 1usp s VAL 137 N -1.24 3.40 -0.12 3.17 1.01 -1.26 -1.33 120.40 124.02 1usp s VAL 137 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1usp s VAL 137 Cb -0.10 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1usp s VAL 137 CO 0.02 0.47 -0.11 -0.60 0.00 0.00 0.00 175.10 174.88 1usp s ARG 138 N -1.15 3.28 0.00 2.72 3.52 -0.24 -4.91 118.95 122.17 1usp s ARG 138 Ca 0.15 -0.64 0.14 0.00 -0.13 0.00 0.00 55.73 55.25 1usp s ARG 138 Cb -0.11 -2.65 0.86 0.00 -1.56 0.00 0.00 34.95 31.50 1usp s ARG 138 CO 0.04 0.31 1.28 0.39 -0.81 0.00 0.00 175.30 176.51