#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5s n PRO 2 N 0.00 -1.73 -3.69 1.61 -0.04 -1.26 -5.09 135.00 124.81 1r5s n PRO 2 Ca 0.00 -0.63 -0.14 0.00 -0.04 0.00 0.00 63.50 62.69 1r5s n PRO 2 Cb 0.00 -0.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1r5s n PRO 2 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1r5s s LEU 3 N 0.00 0.04 0.00 1.53 2.34 -1.26 -4.96 118.68 116.37 1r5s s LEU 3 Ca 0.25 0.48 0.00 0.00 0.06 0.00 0.00 54.13 54.93 1r5s s LEU 3 Cb -0.02 0.57 0.00 0.00 -0.56 0.00 0.00 46.19 46.18 1r5s s LEU 3 CO 0.19 -0.21 0.00 0.61 -1.06 0.00 0.00 176.35 175.88 1r5s n GLY 4 N 4.94 0.66 2.61 -3.48 0.00 -1.26 -5.05 105.19 103.61 1r5s n GLY 4 Ca -0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1r5s n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r5s n SER 5 N 0.00 -2.28 0.00 1.61 3.41 -1.26 -4.98 113.62 110.12 1r5s n SER 5 Ca 0.00 -2.90 0.07 0.00 -0.26 0.00 0.00 58.87 55.78 1r5s n SER 5 Cb 0.00 1.05 0.41 0.00 -0.26 0.00 0.00 64.21 65.41 1r5s n SER 5 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1r5s n PRO 6 N 2.34 0.94 0.21 4.33 -0.02 -1.26 -3.37 135.00 138.16 1r5s n PRO 6 Ca 0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1r5s n PRO 6 Cb 0.56 -1.23 0.15 0.00 -0.02 0.00 0.00 33.50 32.95 1r5s n PRO 6 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1r5s h SER 7 N 0.00 0.00 -2.96 2.55 0.02 -2.04 -3.47 113.55 107.64 1r5s h SER 7 Ca 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 1r5s h SER 7 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1r5s h SER 7 CO 0.00 0.05 -0.53 0.29 -1.14 0.00 0.00 176.83 175.50 1r5s n LYS 8 N -3.09 -1.68 -3.42 3.45 4.01 -1.22 -3.60 118.16 112.61 1r5s n LYS 8 Ca 0.04 1.02 -0.32 0.00 -0.51 0.00 0.00 58.31 58.53 1r5s n LYS 8 Cb 0.55 -5.68 0.02 0.00 -0.51 0.00 0.00 35.03 29.42 1r5s n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1r5s n ASP 9 N -2.00 -4.75 0.20 4.39 5.75 -1.26 -4.83 116.55 114.06 1r5s n ASP 9 Ca -0.25 -0.40 0.05 0.00 -0.01 0.00 0.00 54.79 54.18 1r5s n ASP 9 Cb 0.69 -1.44 0.43 0.00 -1.03 0.00 0.00 41.12 39.77 1r5s n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r5s n GLY 11 N -0.50 -1.28 2.71 0.00 0.00 -1.26 -5.03 105.19 99.83 1r5s n GLY 11 Ca -0.02 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 1r5s n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r5s n SER 12 N 0.00 -2.01 0.07 1.61 7.64 -1.25 -4.46 113.62 115.22 1r5s n SER 12 Ca 0.00 -3.15 -0.07 0.00 1.01 0.00 0.00 58.87 56.66 1r5s n SER 12 Cb 0.00 1.70 -0.04 0.00 -1.01 0.00 0.00 64.21 64.86 1r5s n SER 12 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1r5s h PRO 13 N 2.74 -0.32 -1.91 1.43 0.11 -1.96 -3.10 132.00 128.97 1r5s h PRO 13 Ca -0.17 0.02 -0.74 0.00 0.11 0.00 0.00 66.00 65.22 1r5s h PRO 13 Cb 1.14 0.07 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1r5s h PRO 13 CO 0.09 -0.22 0.82 1.17 -0.21 0.00 0.00 178.00 179.65 1r5s n LYS 14 N -3.65 2.84 -2.93 1.05 3.00 -1.26 -4.88 118.16 112.33 1r5s n LYS 14 Ca -0.04 -3.65 -0.06 0.00 -0.00 0.00 0.00 58.31 54.56 1r5s n LYS 14 Cb 0.17 -2.27 0.01 0.00 0.00 0.00 0.00 35.03 32.94 1r5s n LYS 14 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1r5s n TYR 15 N -0.54 -3.33 -3.65 5.64 9.36 -1.17 -5.05 117.16 118.42 1r5s n TYR 15 Ca 0.52 1.32 -0.09 0.00 3.32 0.00 0.00 57.90 62.97 1r5s n TYR 15 Cb 0.30 -4.06 -0.10 0.00 -0.63 0.00 0.00 39.34 34.85 1r5s n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1r5s s ALA 16 N -2.70 -1.05 -1.12 2.98 0.00 -1.26 -4.88 121.76 113.72 1r5s s ALA 16 Ca 0.18 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1r5s s ALA 16 Cb -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1r5s s ALA 16 CO 0.77 -0.75 0.00 0.66 0.00 0.00 0.00 175.76 176.43 1r5s n TYR 17 N 5.38 -0.58 0.30 0.00 4.01 -1.26 -3.78 117.16 121.23 1r5s n TYR 17 Ca -0.08 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.83 1r5s n TYR 17 Cb 0.49 -2.81 0.84 0.00 -0.31 0.00 0.00 39.34 37.55 1r5s n TYR 17 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1r5s h PHE 18 N 0.00 0.00 0.00 -0.72 -0.00 -1.90 -3.46 116.94 110.86 1r5s h PHE 18 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 1r5s h PHE 18 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 1r5s h PHE 18 CO 0.35 0.00 0.00 0.09 -0.00 0.00 0.00 178.31 178.75 1r5s n ASN 19 N -2.79 0.00 0.00 -0.68 4.13 -1.26 -4.21 115.26 110.45 1r5s n ASN 19 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1r5s n ASN 19 Cb 0.15 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 1r5s n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r5s n GLY 20 N 0.00 -0.54 1.82 7.41 0.00 -1.26 -5.03 105.19 107.59 1r5s n GLY 20 Ca 0.00 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 1r5s n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r5s n SER 22 N 0.18 0.00 -4.50 0.00 7.64 -1.26 -4.74 113.62 110.95 1r5s n SER 22 Ca 0.30 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.73 1r5s n SER 22 Cb 0.70 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.83 1r5s n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1r5s n SER 23 N 1.65 2.04 0.29 6.43 7.64 -1.26 -4.77 113.62 125.65 1r5s n SER 23 Ca 0.00 0.11 0.16 0.00 1.01 0.00 0.00 58.87 60.15 1r5s n SER 23 Cb 0.00 -1.33 0.85 0.00 -1.01 0.00 0.00 64.21 62.72 1r5s n SER 23 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1r5s h PRO 24 N 14.57 0.00 -5.08 1.43 0.11 -2.01 -3.37 132.00 137.64 1r5s h PRO 24 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1r5s h PRO 24 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1r5s h PRO 24 CO 1.10 0.00 0.01 0.25 -0.21 0.00 0.00 178.00 179.15 1r5s n THR 25 N -2.75 0.00 -2.32 -1.15 -2.24 -1.26 -4.67 114.28 99.89 1r5s n THR 25 Ca -0.02 -0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 1r5s n THR 25 Cb 0.23 -1.98 0.01 0.00 -2.10 0.00 0.00 70.33 66.49 1r5s n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r5s n ALA 26 N 19.97 4.90 -1.00 6.98 0.00 -1.26 -5.08 120.51 145.02 1r5s n ALA 26 Ca 0.41 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.83 1r5s n ALA 26 Cb 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1r5s n ALA 26 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1r5s n PRO 27 N -0.56 0.27 0.00 0.00 -0.02 -1.26 -5.01 135.00 128.42 1r5s n PRO 27 Ca 0.39 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1r5s n PRO 27 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.27 1r5s n PRO 27 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1r5s n LEU 28 N 0.00 0.19 -4.17 2.45 4.77 -1.26 -4.98 117.00 114.00 1r5s n LEU 28 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1r5s n LEU 28 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1r5s n LEU 28 CO 0.00 -0.24 -0.35 -0.94 -1.33 0.00 0.00 177.39 174.53 1r5s s SER 29 N -4.37 4.89 0.60 -1.43 1.04 -1.26 -4.97 113.70 108.18 1r5s s SER 29 Ca 0.00 -1.31 0.29 0.00 0.48 0.00 0.00 55.95 55.40 1r5s s SER 29 Cb 0.00 -1.71 1.37 0.00 0.10 0.00 0.00 66.02 65.78 1r5s s SER 29 CO 0.00 -0.27 1.77 -0.65 0.98 0.00 0.00 173.24 175.07 1r5s h PRO 30 N 7.99 0.00 0.00 4.02 0.11 -2.04 -3.44 132.00 138.63 1r5s h PRO 30 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1r5s h PRO 30 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1r5s h PRO 30 CO 0.53 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.99 1r5s n MET 31 N -3.58 0.00 -3.50 1.05 2.81 -1.26 -4.75 117.12 107.89 1r5s n MET 31 Ca 0.12 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.79 1r5s n MET 31 Cb 0.86 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.42 1r5s n MET 31 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1r5s n SER 32 N 1.46 -4.27 -0.04 7.83 7.64 -1.26 -4.92 113.62 120.05 1r5s n SER 32 Ca 0.00 -0.81 -0.11 0.00 1.01 0.00 0.00 58.87 58.97 1r5s n SER 32 Cb 0.00 -4.43 -0.04 0.00 -1.01 0.00 0.00 64.21 58.73 1r5s n SER 32 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1r5s h PRO 33 N -1.60 0.24 0.00 1.43 0.11 -2.01 -3.38 132.00 126.79 1r5s h PRO 33 Ca -0.62 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1r5s h PRO 33 Cb 1.34 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1r5s h PRO 33 CO 0.49 0.24 0.00 -0.35 -0.21 0.00 0.00 178.00 178.17 1r5s n PRO 34 N -4.92 0.00 0.00 1.05 -0.04 -1.26 -4.97 135.00 124.86 1r5s n PRO 34 Ca -0.04 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1r5s n PRO 34 Cb 0.07 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1r5s n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r5s n GLY 35 N 2.31 2.52 3.18 0.55 0.00 -1.26 -4.91 105.19 107.58 1r5s n GLY 35 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1r5s n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r5s s TYR 36 N 0.00 3.38 0.00 1.61 1.51 -1.26 -4.74 117.35 117.85 1r5s s TYR 36 Ca 0.00 -1.95 0.00 0.00 -1.01 0.00 0.00 57.07 54.11 1r5s s TYR 36 Cb 0.00 -2.58 0.00 0.00 -0.11 0.00 0.00 41.96 39.27 1r5s s TYR 36 CO 0.00 -0.85 0.00 0.36 -1.11 0.00 0.00 175.55 173.95 1r5s n LYS 37 N 4.67 0.00 0.00 -0.62 2.85 -1.26 -5.07 118.16 118.72 1r5s n LYS 37 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1r5s n LYS 37 Cb 0.43 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.81 1r5s n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1r5s n LEU 38 N -2.27 0.00 -0.04 -5.58 7.94 -1.26 -1.06 117.00 114.72 1r5s n LEU 38 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1r5s n LEU 38 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1r5s n LEU 38 CO 0.00 0.00 -0.80 0.52 -1.11 0.00 0.00 177.39 176.00 1r5s n VAL 39 N 0.00 0.51 -2.04 1.96 0.31 -1.26 -5.00 118.33 112.81 1r5s n VAL 39 Ca 0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1r5s n VAL 39 Cb 0.00 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 1r5s n VAL 39 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1r5s n THR 40 N -2.87 -0.36 0.00 2.52 -2.24 -0.23 -2.94 114.28 108.16 1r5s n THR 40 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1r5s n THR 40 Cb 0.66 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1r5s n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r5s n GLY 41 N -0.58 2.35 3.55 3.38 0.00 -1.26 -5.01 105.19 107.62 1r5s n GLY 41 Ca -0.13 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1r5s n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r5s s ASP 42 N -2.81 4.36 0.64 1.61 2.15 -1.15 -4.78 116.67 116.70 1r5s s ASP 42 Ca 0.00 0.99 0.42 0.00 0.43 0.00 0.00 52.55 54.40 1r5s s ASP 42 Cb 0.00 -2.50 2.22 0.00 -0.30 0.00 0.00 42.92 42.34 1r5s s ASP 42 CO 0.00 -2.99 2.29 0.03 -0.17 0.00 0.00 175.17 174.33 1r5s h ARG 43 N 19.05 0.00 0.00 4.34 3.08 -1.92 -3.45 114.38 135.48 1r5s h ARG 43 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1r5s h ARG 43 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1r5s h ARG 43 CO 1.15 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 180.14 1r5s n ASN 44 N -3.07 -1.80 -0.00 7.04 3.02 -1.26 -4.75 115.26 114.44 1r5s n ASN 44 Ca -0.02 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1r5s n ASN 44 Cb 0.11 -1.03 -0.00 0.00 -0.61 0.00 0.00 39.78 38.25 1r5s n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r5s n ASN 45 N -0.14 4.53 0.00 6.41 3.02 -1.26 -5.03 115.26 122.80 1r5s n ASN 45 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1r5s n ASN 45 Cb 0.07 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1r5s n ASN 45 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1r5s n SER 46 N -2.21 0.00 -1.89 6.41 2.88 -1.26 -4.97 113.62 112.57 1r5s n SER 46 Ca -0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.41 1r5s n SER 46 Cb 0.51 0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1r5s n SER 46 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r5s n SER 47 N -1.36 -3.57 0.00 -3.46 3.41 -1.26 -4.68 113.62 102.69 1r5s n SER 47 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1r5s n SER 47 Cb 0.00 -3.19 0.00 0.00 -0.26 0.00 0.00 64.21 60.76 1r5s n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5s n ARG 49 N -0.95 0.00 0.00 0.00 1.85 -1.26 -5.06 116.66 111.24 1r5s n ARG 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1r5s n ARG 49 Cb 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.45 1r5s n ARG 49 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1r5s n ASN 50 N -0.64 0.00 -1.06 2.89 3.02 -1.26 -2.38 115.26 115.83 1r5s n ASN 50 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1r5s n ASN 50 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1r5s n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r5s n TYR 51 N 0.00 -0.04 -0.02 3.10 0.18 -1.26 -5.02 117.16 114.09 1r5s n TYR 51 Ca 0.00 -0.05 -0.21 0.00 1.88 0.00 0.00 57.90 59.52 1r5s n TYR 51 Cb 0.00 0.43 -0.13 0.00 -0.38 0.00 0.00 39.34 39.26 1r5s n TYR 51 CO 0.00 0.00 0.00 -2.95 -2.08 0.00 0.00 176.86 171.83 1r5s h ASN 52 N 0.02 0.28 -3.39 9.48 -1.07 -1.91 -3.48 115.58 115.52 1r5s h ASN 52 Ca -0.02 -0.80 -0.29 0.00 0.07 0.00 0.00 56.30 55.25 1r5s h ASN 52 Cb 0.78 -0.09 -0.02 0.00 -2.07 0.00 0.00 38.32 36.92 1r5s h ASN 52 CO -0.01 1.59 -0.37 0.29 0.07 0.00 0.00 177.43 179.00 1r5s n LYS 53 N -4.01 -2.01 -3.12 4.14 5.02 -1.26 -4.91 118.16 112.02 1r5s n LYS 53 Ca -0.27 0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 1r5s n LYS 53 Cb 0.85 -5.32 -0.02 0.00 -0.02 0.00 0.00 35.03 30.52 1r5s n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r5s n GLN 54 N -2.78 0.41 -0.30 1.97 10.64 -1.26 -5.05 117.38 121.00 1r5s n GLN 54 Ca -0.17 -1.79 -0.04 0.00 -1.83 0.00 0.00 57.00 53.16 1r5s n GLN 54 Cb 0.62 1.68 0.07 0.00 -0.86 0.00 0.00 30.24 31.75 1r5s n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r5s h ALA 55 N 1.78 1.05 -1.18 2.61 0.00 -2.05 -3.46 119.26 118.01 1r5s h ALA 55 Ca -0.17 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 1r5s h ALA 55 Cb 0.74 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1r5s h ALA 55 CO 0.23 0.53 -0.26 0.45 0.00 0.00 0.00 179.25 180.20 1r5s n SER 56 N -4.43 -3.92 0.00 0.00 2.88 -1.26 -4.57 113.62 102.32 1r5s n SER 56 Ca 0.08 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1r5s n SER 56 Cb 0.07 -2.86 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 1r5s n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r5s n GLU 57 N -2.31 0.00 -2.63 -1.46 -0.58 -1.26 -4.86 120.64 107.54 1r5s n GLU 57 Ca -0.12 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.44 1r5s n GLU 57 Cb 0.51 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1r5s n GLU 57 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1r5s n GLN 58 N 0.00 -2.63 -2.76 3.49 3.00 -1.26 -4.84 117.38 112.38 1r5s n GLN 58 Ca 0.00 0.77 -0.03 0.00 -0.01 0.00 0.00 57.00 57.72 1r5s n GLN 58 Cb 0.00 -5.44 0.06 0.00 0.00 0.00 0.00 30.24 24.85 1r5s n GLN 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1r5s n ASN 59 N -2.05 0.96 -0.00 1.08 0.23 -1.26 -4.63 115.26 109.59 1r5s n ASN 59 Ca -0.16 -2.28 -0.00 0.00 -0.53 0.00 0.00 54.58 51.61 1r5s n ASN 59 Cb 0.63 -0.27 -0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1r5s n ASN 59 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 1r5s n TRP 60 N -0.54 0.00 -1.19 -2.53 4.27 -1.26 -4.89 117.44 111.30 1r5s n TRP 60 Ca 0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.65 1r5s n TRP 60 Cb 0.82 -0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.75 1r5s n TRP 60 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r5s n ALA 61 N -2.45 0.08 -1.75 -1.67 0.00 -1.26 -4.95 120.51 108.50 1r5s n ALA 61 Ca -0.01 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1r5s n ALA 61 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1r5s n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r5s n ASN 62 N 0.00 7.06 0.00 0.00 3.02 -1.26 -3.97 115.26 120.10 1r5s n ASN 62 Ca 0.00 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1r5s n ASN 62 Cb 0.27 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 1r5s n ASN 62 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1r5s n TYR 63 N 3.56 0.00 -0.33 3.10 4.02 -1.26 -4.80 117.16 121.44 1r5s n TYR 63 Ca 0.63 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 58.45 1r5s n TYR 63 Cb 0.29 0.22 0.18 0.00 -0.02 0.00 0.00 39.34 40.00 1r5s n TYR 63 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1r5s n SER 64 N -2.30 3.71 -0.57 7.72 7.64 -1.25 -3.82 113.62 124.75 1r5s n SER 64 Ca 0.00 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.03 1r5s n SER 64 Cb 0.14 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1r5s n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r5s n ALA 65 N -0.16 2.07 -0.05 -0.43 0.00 -1.26 -4.88 120.51 115.79 1r5s n ALA 65 Ca 0.30 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 1r5s n ALA 65 Cb 1.09 -0.35 -0.14 0.00 0.00 0.00 0.00 19.45 20.05 1r5s n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r5s n GLU 66 N 0.03 0.68 -0.02 0.00 -0.58 -1.25 -3.86 120.64 115.64 1r5s n GLU 66 Ca -0.00 0.19 -0.12 0.00 -0.42 0.00 0.00 57.16 56.81 1r5s n GLU 66 Cb 0.66 -1.65 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1r5s n GLU 66 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1r5s h GLN 67 N 0.02 0.15 -0.82 3.49 1.08 -1.90 -1.49 115.11 115.64 1r5s h GLN 67 Ca -0.44 -0.03 0.09 0.00 -1.45 0.00 0.00 58.65 56.82 1r5s h GLN 67 Cb 2.05 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 29.38 1r5s h GLN 67 CO 0.04 0.27 0.47 -0.91 -0.95 0.00 0.00 178.83 177.75 1r5s h ASN 68 N 0.00 0.68 -0.40 1.46 4.21 -1.93 0.53 115.58 120.14 1r5s h ASN 68 Ca 0.03 0.04 0.05 0.00 1.21 0.00 0.00 56.30 57.64 1r5s h ASN 68 Cb 0.18 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.25 1r5s h ASN 68 CO -0.00 0.40 0.14 0.03 -1.29 0.00 0.00 177.43 176.71 1r5s h ARG 69 N 0.80 0.30 -0.01 0.81 3.08 -1.58 -1.54 114.38 116.25 1r5s h ARG 69 Ca 0.39 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.29 1r5s h ARG 69 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1r5s h ARG 69 CO -0.24 0.20 -0.64 0.00 -1.07 0.00 0.00 179.97 178.21 1r5s h MET 70 N 0.31 0.02 0.16 0.04 -0.00 -0.12 -0.87 114.93 114.47 1r5s h MET 70 Ca 0.18 -0.02 0.01 0.00 -0.00 0.00 0.00 59.70 59.88 1r5s h MET 70 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.74 1r5s h MET 70 CO -0.18 0.66 -0.25 0.78 -0.00 0.00 0.00 176.91 177.91 1r5s h GLY 71 N 1.89 -0.50 0.55 -3.00 0.00 0.93 0.53 103.07 103.47 1r5s h GLY 71 Ca -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1r5s h GLY 71 CO 0.09 -0.22 -0.26 1.46 0.00 0.00 0.00 176.54 177.60 1r5s h GLN 72 N -0.48 -0.71 -1.45 4.80 4.20 -1.31 0.39 115.11 120.55 1r5s h GLN 72 Ca 0.02 0.05 0.42 0.00 0.06 0.00 0.00 58.65 59.20 1r5s h GLN 72 Cb 0.48 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 1r5s h GLN 72 CO -0.11 -0.47 1.30 0.00 -0.67 0.00 0.00 178.83 178.88 1r5s n ALA 73 N -2.54 1.39 -0.02 3.87 0.00 -0.34 0.10 120.51 122.98 1r5s n ALA 73 Ca -0.09 0.48 0.04 0.00 0.00 0.00 0.00 53.44 53.87 1r5s n ALA 73 Cb 0.29 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1r5s n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5s n GLY 74 N -1.80 -0.62 0.09 0.00 0.00 0.17 -4.64 105.19 98.39 1r5s n GLY 74 Ca 0.33 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1r5s n GLY 74 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r5s h SER 75 N 0.00 0.11 -2.19 1.61 0.02 0.51 -3.47 113.55 110.14 1r5s h SER 75 Ca -0.07 -0.87 -0.26 0.00 -0.84 0.00 0.00 61.79 59.75 1r5s h SER 75 Cb 0.85 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.28 1r5s h SER 75 CO 0.00 1.23 -0.27 0.35 -1.14 0.00 0.00 176.83 177.01 1r5s n THR 76 N -4.42 -0.21 -3.20 -2.27 -2.24 0.13 -3.59 114.28 98.48 1r5s n THR 76 Ca -0.17 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1r5s n THR 76 Cb 0.62 -1.45 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 1r5s n THR 76 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1r5s n ILE 77 N -2.39 -3.11 0.00 2.28 2.08 -1.26 -4.94 119.36 112.01 1r5s n ILE 77 Ca -0.14 0.54 0.00 0.00 0.56 0.00 0.00 62.75 63.71 1r5s n ILE 77 Cb 0.49 -3.41 0.00 0.00 -0.75 0.00 0.00 39.64 35.97 1r5s n ILE 77 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1r5s n SER 78 N 1.02 1.03 0.00 4.38 7.64 -1.24 -4.99 113.62 121.46 1r5s n SER 78 Ca -0.01 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1r5s n SER 78 Cb 0.49 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 1r5s n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1r5s n ASN 79 N -0.57 0.00 -2.19 6.43 4.05 -1.26 -5.04 115.26 116.68 1r5s n ASN 79 Ca 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.96 1r5s n ASN 79 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 1r5s n ASN 79 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1r5s n SER 80 N -0.63 -3.12 -0.14 1.20 7.64 -1.26 -5.00 113.62 112.31 1r5s n SER 80 Ca 0.00 -0.30 -0.26 0.00 1.01 0.00 0.00 58.87 59.32 1r5s n SER 80 Cb 0.00 -2.58 -0.11 0.00 -1.01 0.00 0.00 64.21 60.51 1r5s n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r5s n HIS 81 N -2.33 0.00 -2.16 1.43 1.44 -1.26 -4.96 115.22 107.39 1r5s n HIS 81 Ca -0.08 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.59 1r5s n HIS 81 Cb 0.56 -1.00 -0.01 0.00 0.12 0.00 0.00 29.99 29.67 1r5s n HIS 81 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r5s n ALA 82 N -3.95 -0.72 -0.08 1.59 0.00 -1.26 -4.79 120.51 111.30 1r5s n ALA 82 Ca -0.52 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.89 1r5s n ALA 82 Cb 0.92 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 1r5s n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r5s n GLN 83 N -2.29 0.47 0.14 0.00 6.02 -1.26 -4.39 117.38 116.07 1r5s n GLN 83 Ca -0.05 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.58 1r5s n GLN 83 Cb 0.44 -1.68 0.47 0.00 1.02 0.00 0.00 30.24 30.49 1r5s n GLN 83 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1r5s h PRO 84 N -1.00 0.00 0.00 -1.09 0.13 -2.05 -3.46 132.00 124.53 1r5s h PRO 84 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1r5s h PRO 84 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1r5s h PRO 84 CO -0.03 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.93 1r5s n PHE 85 N -2.34 0.00 -2.55 1.56 3.72 -1.26 -4.34 117.46 112.25 1r5s n PHE 85 Ca 0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.37 1r5s n PHE 85 Cb 0.31 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1r5s n PHE 85 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1r5s n ASP 86 N 0.00 -2.15 -3.65 4.37 5.68 -1.26 -4.84 116.55 114.70 1r5s n ASP 86 Ca 0.00 0.32 -0.37 0.00 -0.50 0.00 0.00 54.79 54.25 1r5s n ASP 86 Cb 0.00 -1.91 -0.02 0.00 -1.14 0.00 0.00 41.12 38.05 1r5s n ASP 86 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1r5s n PHE 87 N -2.90 2.92 0.21 2.11 1.16 -1.26 -4.83 117.46 114.87 1r5s n PHE 87 Ca -0.05 -3.14 0.05 0.00 -1.87 0.00 0.00 57.45 52.44 1r5s n PHE 87 Cb 0.54 -0.97 0.46 0.00 -1.61 0.00 0.00 39.48 37.90 1r5s n PHE 87 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1r5s h PRO 88 N 4.57 0.00 -1.54 3.97 0.13 -1.93 -2.94 132.00 134.25 1r5s h PRO 88 Ca 0.26 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.81 1r5s h PRO 88 Cb 0.55 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.45 1r5s h PRO 88 CO 1.12 0.26 0.71 -0.40 -0.23 0.00 0.00 178.00 179.46 1r5s n ASP 89 N -4.14 7.13 -2.23 1.44 5.75 -1.26 -4.50 116.55 118.74 1r5s n ASP 89 Ca -0.02 -3.51 -0.26 0.00 -0.01 0.00 0.00 54.79 50.99 1r5s n ASP 89 Cb 0.32 -1.07 0.02 0.00 -1.03 0.00 0.00 41.12 39.36 1r5s n ASP 89 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1r5s n ASP 90 N -0.17 5.17 0.00 -1.12 2.03 -1.11 -4.54 116.55 116.80 1r5s n ASP 90 Ca 0.50 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 52.06 1r5s n ASP 90 Cb 0.52 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1r5s n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1r5s n ASN 91 N -0.64 0.00 -0.13 1.67 6.94 -1.26 -4.82 115.26 117.02 1r5s n ASN 91 Ca 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.88 1r5s n ASN 91 Cb 0.81 0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 38.33 1r5s n ASN 91 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1r5s h GLN 92 N 0.00 0.83 0.00 -3.83 4.20 -1.89 -1.36 115.11 113.06 1r5s h GLN 92 Ca 0.00 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 1r5s h GLN 92 Cb 0.00 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1r5s h GLN 92 CO 0.00 1.01 -0.02 -0.91 -0.67 0.00 0.00 178.83 178.24 1r5s h ASN 93 N 0.64 0.00 0.29 1.46 2.35 -1.91 -1.55 115.58 116.86 1r5s h ASN 93 Ca 0.08 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.50 1r5s h ASN 93 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1r5s h ASN 93 CO 0.06 0.02 -1.73 0.00 -1.65 0.00 0.00 177.43 174.13 1r5s h ALA 94 N 1.98 0.31 -0.13 -0.83 0.00 -1.80 -3.31 119.26 115.48 1r5s h ALA 94 Ca -0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 54.91 53.54 1r5s h ALA 94 Cb 0.45 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1r5s h ALA 94 CO 0.00 1.17 -0.52 1.57 0.00 0.00 0.00 179.25 181.48 1r5s h LYS 95 N 0.08 0.58 0.00 0.00 2.10 -1.08 0.37 116.57 118.62 1r5s h LYS 95 Ca -0.32 -0.45 0.00 0.00 -2.00 0.00 0.00 60.65 57.87 1r5s h LYS 95 Cb 2.05 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1r5s h LYS 95 CO 0.15 1.07 0.00 1.63 -2.00 0.00 0.00 179.45 180.30 1r5s n LYS 96 N -4.19 0.01 -0.03 0.07 5.02 -0.60 -2.43 118.16 116.01 1r5s n LYS 96 Ca -0.08 0.40 -0.02 0.00 -2.02 0.00 0.00 58.31 56.60 1r5s n LYS 96 Cb 0.61 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1r5s n LYS 96 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1r5s n VAL 97 N -1.56 0.35 -0.31 -0.18 0.24 -1.12 -4.65 118.33 111.09 1r5s n VAL 97 Ca 0.01 -0.23 -0.03 0.00 -2.04 0.00 0.00 64.34 62.06 1r5s n VAL 97 Cb 0.08 -0.74 0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1r5s n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r5s h ALA 98 N 0.30 1.09 -0.99 2.33 0.00 0.09 0.90 119.26 122.99 1r5s h ALA 98 Ca -0.14 -0.04 -0.75 0.00 0.00 0.00 0.00 54.91 53.98 1r5s h ALA 98 Cb 1.25 -0.31 -0.25 0.00 0.00 0.00 0.00 17.79 18.47 1r5s h ALA 98 CO 0.01 0.42 1.04 0.00 0.00 0.00 0.00 179.25 180.72 1r5s n ALA 99 N -2.34 6.43 0.00 0.00 0.00 -1.16 -4.31 120.51 119.13 1r5s n ALA 99 Ca 0.10 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.42 1r5s n ALA 99 Cb 0.06 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1r5s n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5s n GLY 100 N -0.17 0.17 0.24 0.00 0.00 -1.08 -4.96 105.19 99.41 1r5s n GLY 100 Ca 0.52 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.70 1r5s n GLY 100 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1r5s h HIS 101 N 0.00 0.00 -0.82 1.61 6.17 0.65 -2.49 115.15 120.27 1r5s h HIS 101 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 1r5s h HIS 101 Cb 0.00 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 29.89 1r5s h HIS 101 CO 0.00 0.00 0.54 0.93 0.71 0.00 0.00 177.93 180.11 1r5s h GLU 102 N 0.00 1.05 0.00 5.26 5.08 -1.80 -3.46 114.58 120.72 1r5s h GLU 102 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1r5s h GLU 102 Cb 0.14 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1r5s h GLU 102 CO 0.00 0.69 0.00 -0.11 -1.00 0.00 0.00 179.01 178.59 1r5s n LEU 103 N -4.54 0.00 -3.52 1.33 -0.00 -0.94 -4.68 117.00 104.65 1r5s n LEU 103 Ca 0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.96 1r5s n LEU 103 Cb 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.42 1r5s n LEU 103 CO 0.35 0.00 0.33 0.00 -0.00 0.00 0.00 177.39 178.07 1r5s s GLN 104 N 0.00 1.12 0.65 1.96 -2.07 -1.26 -5.03 119.66 115.04 1r5s s GLN 104 Ca 0.00 -0.28 0.35 0.00 -1.82 0.00 0.00 55.36 53.60 1r5s s GLN 104 Cb 0.00 0.51 1.89 0.00 -1.09 0.00 0.00 33.01 34.32 1r5s s GLN 104 CO 0.00 -0.43 2.09 -1.00 -1.32 0.00 0.00 175.29 174.63 1r5s h PRO 105 N 2.53 0.00 0.00 9.60 0.13 -2.03 -3.23 132.00 139.00 1r5s h PRO 105 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1r5s h PRO 105 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1r5s h PRO 105 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1r5s n LEU 106 N -3.10 2.62 -0.12 1.56 4.32 -1.26 -4.92 117.00 116.10 1r5s n LEU 106 Ca -0.02 0.07 -0.02 0.00 -0.02 0.00 0.00 56.01 56.02 1r5s n LEU 106 Cb 0.28 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.05 1r5s n LEU 106 CO 0.18 -0.03 -0.02 0.00 -1.22 0.00 0.00 177.39 176.30 1r5s n ALA 107 N -0.58 -0.02 -2.77 -1.18 0.00 -1.22 -2.60 120.51 112.13 1r5s n ALA 107 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1r5s n ALA 107 Cb 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.62 1r5s n ALA 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r5s n ILE 108 N -2.51 -1.07 -2.80 0.00 5.41 -1.26 -3.69 119.36 113.44 1r5s n ILE 108 Ca -0.02 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.63 1r5s n ILE 108 Cb 0.27 -2.32 0.05 0.00 -0.71 0.00 0.00 39.64 36.94 1r5s n ILE 108 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1r5s n VAL 109 N -3.68 -5.48 0.13 1.39 0.31 -1.07 -4.93 118.33 105.00 1r5s n VAL 109 Ca -0.02 -0.67 -0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1r5s n VAL 109 Cb 0.54 -4.88 0.28 0.00 -0.91 0.00 0.00 33.84 28.87 1r5s n VAL 109 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1r5s h ASP 110 N -0.96 0.14 -0.10 4.52 2.03 -1.64 -3.10 116.42 117.30 1r5s h ASP 110 Ca -0.41 -0.05 -0.02 0.00 -0.73 0.00 0.00 57.03 55.82 1r5s h ASP 110 Cb 1.22 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1r5s h ASP 110 CO 0.31 0.52 -0.00 1.56 -1.03 0.00 0.00 179.24 180.60 1r5s h GLN 111 N 0.11 0.19 0.00 4.15 4.20 -1.92 -3.48 115.11 118.36 1r5s h GLN 111 Ca 0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1r5s h GLN 111 Cb 0.76 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1r5s h GLN 111 CO 0.06 0.45 0.00 0.54 -0.67 0.00 0.00 178.83 179.21 1r5s n ARG 112 N -4.80 0.00 -0.04 1.46 3.00 -1.17 -4.87 116.66 110.23 1r5s n ARG 112 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.64 1r5s n ARG 112 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.57 1r5s n ARG 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1r5s h PRO 113 N 0.00 -0.50 -0.76 5.56 0.11 -1.93 -3.44 132.00 131.05 1r5s h PRO 113 Ca 0.00 0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.98 1r5s h PRO 113 Cb 0.00 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 1r5s h PRO 113 CO 0.00 -0.33 -0.15 -1.13 -0.21 0.00 0.00 178.00 176.18 1r5s n SER 114 N -5.27 -3.78 0.10 -2.05 3.41 -1.26 -4.76 113.62 100.01 1r5s n SER 114 Ca -0.05 0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.73 1r5s n SER 114 Cb 0.35 -2.99 -0.04 0.00 -0.26 0.00 0.00 64.21 61.27 1r5s n SER 114 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1r5s h SER 115 N 0.00 0.00 0.56 4.04 4.64 -1.94 -3.20 113.55 117.65 1r5s h SER 115 Ca -0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1r5s h SER 115 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1r5s h SER 115 CO 0.24 0.75 -0.03 0.03 -0.87 0.00 0.00 176.83 176.94 1r5s h ARG 116 N 0.00 0.00 -1.64 4.77 3.08 -1.95 -2.54 114.38 116.09 1r5s h ARG 116 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r5s h ARG 116 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1r5s h ARG 116 CO 0.10 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 1r5s n ALA 117 N -2.13 2.74 -2.71 0.04 0.00 -1.21 -4.64 120.51 112.61 1r5s n ALA 117 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1r5s n ALA 117 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1r5s n ALA 117 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r5s n SER 118 N 1.14 -4.92 -0.21 0.00 3.41 -1.11 -4.82 113.62 107.10 1r5s n SER 118 Ca 0.00 -0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.60 1r5s n SER 118 Cb 0.36 -4.09 0.26 0.00 -0.26 0.00 0.00 64.21 60.49 1r5s n SER 118 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1r5s n SER 119 N -2.10 0.62 0.00 4.04 2.88 -0.97 -4.92 113.62 113.17 1r5s n SER 119 Ca -0.15 -1.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 1r5s n SER 119 Cb 0.62 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1r5s n SER 119 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r5s n ARG 120 N -0.27 0.00 0.00 -1.46 1.74 -1.26 -4.44 116.66 110.98 1r5s n ARG 120 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1r5s n ARG 120 Cb 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 1r5s n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r5s n ALA 121 N 0.55 0.00 0.09 7.54 0.00 -1.26 -4.96 120.51 122.47 1r5s n ALA 121 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1r5s n ALA 121 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1r5s n ALA 121 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1r5s h SER 122 N 0.00 0.65 -5.77 0.00 0.02 -2.04 -3.48 113.55 102.92 1r5s h SER 122 Ca 0.00 -0.92 -0.38 0.00 -0.84 0.00 0.00 61.79 59.65 1r5s h SER 122 Cb 0.00 -0.21 0.15 0.00 0.14 0.00 0.00 62.40 62.48 1r5s h SER 122 CO 0.00 1.67 -0.71 -0.24 -1.14 0.00 0.00 176.83 176.41 1r5s n SER 123 N -3.79 -5.00 -4.69 3.07 2.88 -1.26 -4.94 113.62 99.88 1r5s n SER 123 Ca -0.20 -0.56 -0.42 0.00 -1.33 0.00 0.00 58.87 56.35 1r5s n SER 123 Cb 1.02 -5.05 -0.03 0.00 -0.75 0.00 0.00 64.21 59.39 1r5s n SER 123 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1r5s s ARG 124 N -6.01 4.38 -0.68 -1.46 0.52 -1.26 -4.77 118.95 109.67 1r5s s ARG 124 Ca 0.40 1.53 -0.26 0.00 -0.52 0.00 0.00 55.73 56.88 1r5s s ARG 124 Cb -0.18 -3.55 -0.13 0.00 0.52 0.00 0.00 34.95 31.61 1r5s s ARG 124 CO 0.73 -0.39 2.48 -2.30 0.02 0.00 0.00 175.30 175.84 1r5s n PRO 125 N 5.12 0.66 0.00 3.54 -0.02 -1.26 -4.59 135.00 138.46 1r5s n PRO 125 Ca 0.10 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1r5s n PRO 125 Cb 0.47 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1r5s n PRO 125 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1r5s n ARG 126 N 8.67 0.00 0.00 -0.52 5.12 -1.26 -4.80 116.66 123.88 1r5s n ARG 126 Ca 0.47 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1r5s n ARG 126 Cb 0.38 -0.18 0.00 0.00 -1.16 0.00 0.00 32.46 31.50 1r5s n ARG 126 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1r5s n PRO 127 N -2.70 0.00 -0.53 5.56 -0.05 -1.26 -4.57 135.00 131.45 1r5s n PRO 127 Ca 0.00 0.17 0.09 0.00 -0.05 0.00 0.00 63.50 63.71 1r5s n PRO 127 Cb 0.18 -0.60 0.32 0.00 -0.05 0.00 0.00 33.50 33.34 1r5s n PRO 127 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1r5s n ASP 128 N -1.40 4.24 -2.88 3.54 -0.08 -1.26 -4.96 116.55 113.74 1r5s n ASP 128 Ca 0.00 -2.33 -0.02 0.00 -1.51 0.00 0.00 54.79 50.93 1r5s n ASP 128 Cb 0.00 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 42.93 1r5s n ASP 128 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r5s n ASP 129 N 1.09 -7.34 -3.33 1.67 2.03 -1.26 -4.66 116.55 104.75 1r5s n ASP 129 Ca 0.23 0.06 -0.18 0.00 0.52 0.00 0.00 54.79 55.42 1r5s n ASP 129 Cb 0.78 -4.97 -0.05 0.00 -0.72 0.00 0.00 41.12 36.16 1r5s n ASP 129 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1r5s n LEU 130 N -1.41 0.31 -1.28 -2.67 7.99 -1.26 -4.57 117.00 114.11 1r5s n LEU 130 Ca 0.02 -1.11 -0.06 0.00 -0.01 0.00 0.00 56.01 54.86 1r5s n LEU 130 Cb 0.48 -0.41 0.04 0.00 -0.11 0.00 0.00 43.42 43.43 1r5s n LEU 130 CO 0.47 -1.46 0.68 -1.84 -1.51 0.00 0.00 177.39 173.74 1r5s n GLU 131 N 5.84 1.31 0.00 3.23 0.28 -1.26 -4.59 120.64 125.45 1r5s n GLU 131 Ca 0.19 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.47 1r5s n GLU 131 Cb 0.19 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.77 1r5s n GLU 131 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08