#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rcx s GLN 2 N 0.00 3.80 -0.23 3.17 1.11 -1.26 -5.07 119.66 121.19 1rcx s GLN 2 Ca 0.00 0.55 -0.06 0.00 0.01 0.00 0.00 55.36 55.87 1rcx s GLN 2 Cb 0.00 -2.34 -0.02 0.00 -1.01 0.00 0.00 33.01 29.64 1rcx s GLN 2 CO 0.00 -0.09 0.01 0.08 0.01 0.00 0.00 175.29 175.31 1rcx s VAL 3 N -2.43 3.90 0.07 1.09 1.01 -1.26 -5.05 120.40 117.72 1rcx s VAL 3 Ca 0.53 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 1rcx s VAL 3 Cb -0.10 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 1rcx s VAL 3 CO 0.32 0.39 1.67 0.86 0.00 0.00 0.00 175.10 178.34 1rcx s TRP 4 N 1.38 2.36 0.73 5.22 -0.11 -1.26 -4.93 118.94 122.34 1rcx s TRP 4 Ca 0.05 0.28 -0.16 0.00 1.22 0.00 0.00 56.10 57.49 1rcx s TRP 4 Cb -0.15 -3.98 -0.00 0.00 -1.50 0.00 0.00 33.47 27.84 1rcx s TRP 4 CO 0.01 -3.97 0.82 -2.30 -4.62 0.00 0.00 176.95 166.90 1rcx n PRO 5 N 5.70 0.41 -0.05 5.86 -0.02 -1.26 -4.98 135.00 140.67 1rcx n PRO 5 Ca 0.16 0.19 -0.06 0.00 -2.02 0.00 0.00 63.50 61.78 1rcx n PRO 5 Cb 0.40 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1rcx n PRO 5 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1rcx n ILE 6 N -2.52 0.59 -3.88 4.25 -0.00 -1.26 -4.90 119.36 111.64 1rcx n ILE 6 Ca 0.12 -0.30 -0.37 0.00 -0.00 0.00 0.00 62.75 62.21 1rcx n ILE 6 Cb 0.50 -0.82 -0.07 0.00 -0.00 0.00 0.00 39.64 39.25 1rcx n ILE 6 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1rcx s LEU 7 N -5.06 4.31 -1.34 1.39 1.43 -1.26 -4.41 118.68 113.74 1rcx s LEU 7 Ca -0.09 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1rcx s LEU 7 Cb 0.03 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1rcx s LEU 7 CO 0.30 0.37 0.76 0.59 0.23 0.00 0.00 176.35 178.59 1rcx n ASN 8 N 2.26 -1.80 -2.27 2.29 4.13 -1.26 -4.91 115.26 113.70 1rcx n ASN 8 Ca -0.19 -0.80 -0.19 0.00 1.68 0.00 0.00 54.58 55.08 1rcx n ASN 8 Cb 0.54 -4.08 0.02 0.00 -1.54 0.00 0.00 39.78 34.73 1rcx n ASN 8 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rcx n LEU 9 N -4.34 4.08 -4.77 3.41 7.99 -1.26 -5.06 117.00 117.05 1rcx n LEU 9 Ca -0.25 -4.42 -0.40 0.00 -0.01 0.00 0.00 56.01 50.94 1rcx n LEU 9 Cb 0.65 -0.16 -0.03 0.00 -0.11 0.00 0.00 43.42 43.78 1rcx n LEU 9 CO 0.69 1.88 0.88 -0.54 -1.51 0.00 0.00 177.39 178.80 1rcx s LYS 10 N -3.62 4.36 0.41 3.23 -0.14 -1.26 -5.03 119.74 117.69 1rcx s LYS 10 Ca 0.45 1.99 0.07 0.00 -1.36 0.00 0.00 55.97 57.12 1rcx s LYS 10 Cb 0.39 -3.00 -0.07 0.00 -1.68 0.00 0.00 37.83 33.48 1rcx s LYS 10 CO -0.01 -0.11 0.10 0.15 -0.76 0.00 0.00 175.35 174.73 1rcx s LYS 11 N -1.83 2.10 -0.29 1.68 -0.14 -1.26 -5.08 119.74 114.92 1rcx s LYS 11 Ca 0.50 -1.97 0.16 0.00 -1.36 0.00 0.00 55.97 53.30 1rcx s LYS 11 Cb -0.35 -1.82 0.48 0.00 -1.68 0.00 0.00 37.83 34.46 1rcx s LYS 11 CO 0.45 -0.09 1.11 0.66 -0.76 0.00 0.00 175.35 176.73 1rcx n TYR 12 N -1.11 1.83 -4.89 3.18 4.02 -1.26 -5.09 117.16 113.84 1rcx n TYR 12 Ca -0.03 -2.35 0.00 0.00 -0.01 0.00 0.00 57.90 55.51 1rcx n TYR 12 Cb 0.66 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 1rcx n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1rcx n GLU 13 N -0.54 0.00 -1.69 -0.72 -0.58 -1.26 -4.52 120.64 111.33 1rcx n GLU 13 Ca 0.20 0.00 -0.60 0.00 -0.42 0.00 0.00 57.16 56.34 1rcx n GLU 13 Cb 0.84 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.63 1rcx n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1rcx n THR 14 N 0.00 0.16 0.00 2.62 -1.04 -1.26 -0.82 114.28 113.94 1rcx n THR 14 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1rcx n THR 14 Cb 0.00 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1rcx n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1rcx n LEU 15 N 4.36 0.00 0.00 -4.42 4.77 -1.26 -4.55 117.00 115.89 1rcx n LEU 15 Ca 0.26 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 1rcx n LEU 15 Cb 0.08 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.45 1rcx n LEU 15 CO 0.80 0.00 0.69 -1.54 -1.33 0.00 0.00 177.39 176.01 1rcx n SER 16 N 0.00 0.00 -0.89 -1.43 3.41 -0.00 -1.98 113.62 112.73 1rcx n SER 16 Ca 0.00 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1rcx n SER 16 Cb 0.00 -0.45 0.23 0.00 -0.26 0.00 0.00 64.21 63.73 1rcx n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1rcx n TYR 17 N -1.45 0.14 -2.91 7.33 4.02 -1.26 -4.76 117.16 118.27 1rcx n TYR 17 Ca 0.04 -0.07 -0.18 0.00 -0.01 0.00 0.00 57.90 57.67 1rcx n TYR 17 Cb 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1rcx n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1rcx s LEU 18 N -1.84 3.50 0.85 7.72 1.43 -0.84 -5.08 118.68 124.43 1rcx s LEU 18 Ca 0.33 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1rcx s LEU 18 Cb 0.21 -2.61 0.10 0.00 0.03 0.00 0.00 46.19 43.92 1rcx s LEU 18 CO 0.31 -0.93 1.11 -2.84 0.23 0.00 0.00 176.35 174.23 1rcx s PRO 19 N -4.50 1.60 0.38 1.29 0.02 -1.26 -4.91 135.00 127.62 1rcx s PRO 19 Ca 0.56 1.29 -0.26 0.00 0.02 0.00 0.00 61.00 62.61 1rcx s PRO 19 Cb -0.10 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 1rcx s PRO 19 CO 0.35 -2.14 1.08 -2.30 -0.33 0.00 0.00 177.00 173.66 1rcx n PRO 20 N -3.87 1.54 -2.22 5.54 -0.02 -1.26 -4.90 135.00 129.80 1rcx n PRO 20 Ca 0.10 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1rcx n PRO 20 Cb 0.53 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1rcx n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rcx s LEU 21 N -0.53 4.45 0.59 2.45 1.43 -1.26 -5.02 118.68 120.80 1rcx s LEU 21 Ca 0.61 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 56.18 1rcx s LEU 21 Cb -0.58 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.05 1rcx s LEU 21 CO 0.59 -0.46 0.85 0.42 0.23 0.00 0.00 176.35 177.97 1rcx s THR 22 N -0.62 2.68 0.26 5.49 -4.23 -1.26 -4.81 115.64 113.15 1rcx s THR 22 Ca 0.51 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1rcx s THR 22 Cb -0.37 -3.06 0.23 0.00 1.34 0.00 0.00 72.50 70.65 1rcx s THR 22 CO 0.45 -0.05 1.75 0.74 -0.54 0.00 0.00 174.62 176.96 1rcx h THR 23 N -0.13 0.69 -0.18 3.99 2.02 -1.98 0.29 112.91 117.61 1rcx h THR 23 Ca -0.43 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1rcx h THR 23 Cb 1.30 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1rcx h THR 23 CO 0.55 0.10 0.02 0.44 0.37 0.00 0.00 175.52 177.01 1rcx h ASP 24 N 0.54 0.28 -0.80 4.18 5.19 -1.98 0.27 116.42 124.10 1rcx h ASP 24 Ca 0.45 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1rcx h ASP 24 Cb 0.66 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 1rcx h ASP 24 CO -0.39 0.48 0.43 1.56 -3.12 0.00 0.00 179.24 178.21 1rcx h GLN 25 N 0.08 1.11 -0.50 3.56 4.20 -1.57 0.10 115.11 122.09 1rcx h GLN 25 Ca 0.05 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1rcx h GLN 25 Cb 0.32 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1rcx h GLN 25 CO 0.00 0.83 0.09 1.25 -0.67 0.00 0.00 178.83 180.33 1rcx h LEU 26 N 1.11 0.79 -0.72 1.46 5.85 -0.36 -2.46 115.31 120.98 1rcx h LEU 26 Ca 0.28 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1rcx h LEU 26 Cb 0.04 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1rcx h LEU 26 CO -0.04 0.84 0.46 0.00 -0.34 0.00 0.00 178.44 179.35 1rcx h ALA 27 N 0.98 0.94 0.00 1.25 0.00 -0.45 -2.39 119.26 119.59 1rcx h ALA 27 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1rcx h ALA 27 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rcx h ALA 27 CO 0.01 0.25 -0.22 0.00 0.00 0.00 0.00 179.25 179.28 1rcx h ARG 28 N 0.90 0.00 -0.04 0.00 3.08 -0.63 -0.57 114.38 117.12 1rcx h ARG 28 Ca 0.29 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.09 1rcx h ARG 28 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1rcx h ARG 28 CO -0.10 0.22 -0.94 1.96 -1.07 0.00 0.00 179.97 180.05 1rcx h GLN 29 N 0.00 0.64 -0.35 0.04 1.08 -0.99 -1.25 115.11 114.28 1rcx h GLN 29 Ca -0.00 -0.64 -0.05 0.00 -1.45 0.00 0.00 58.65 56.51 1rcx h GLN 29 Cb 0.47 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1rcx h GLN 29 CO 0.03 1.24 0.03 0.28 -0.95 0.00 0.00 178.83 179.46 1rcx h VAL 30 N 0.39 1.25 -0.47 -0.54 2.07 -1.09 -1.59 116.25 116.26 1rcx h VAL 30 Ca -0.09 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.56 1rcx h VAL 30 Cb 1.58 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1rcx h VAL 30 CO 0.18 0.30 0.24 0.44 0.02 0.00 0.00 177.57 178.75 1rcx h ASP 31 N 0.42 0.34 -0.71 0.57 3.32 -1.08 -1.10 116.42 118.18 1rcx h ASP 31 Ca 0.10 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1rcx h ASP 31 Cb 0.41 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1rcx h ASP 31 CO 0.01 0.24 0.40 0.22 -1.72 0.00 0.00 179.24 178.39 1rcx h TYR 32 N 0.47 0.72 -0.03 4.55 3.20 -1.00 0.24 116.97 125.13 1rcx h TYR 32 Ca 0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1rcx h TYR 32 Cb 0.11 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 1rcx h TYR 32 CO -0.10 0.33 0.02 1.25 -1.64 0.00 0.00 178.16 178.02 1rcx h LEU 33 N 0.71 0.03 -0.71 2.82 5.85 -0.47 -2.51 115.31 121.04 1rcx h LEU 33 Ca 0.33 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 1rcx h LEU 33 Cb 0.23 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1rcx h LEU 33 CO -0.20 0.05 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.48 1rcx h LEU 34 N 0.01 0.56 -1.32 2.25 3.38 -0.78 -2.35 115.31 117.06 1rcx h LEU 34 Ca 0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1rcx h LEU 34 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1rcx h LEU 34 CO -0.00 0.90 -0.13 0.78 0.09 0.00 0.00 178.44 180.07 1rcx h ASN 35 N 0.43 0.28 -0.05 -0.43 2.35 -0.43 0.72 115.58 118.45 1rcx h ASN 35 Ca 0.04 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1rcx h ASN 35 Cb 0.89 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1rcx h ASN 35 CO 0.08 0.44 0.00 0.59 -1.65 0.00 0.00 177.43 176.89 1rcx n ASN 36 N -4.25 0.69 -1.79 5.81 3.02 -0.96 -4.91 115.26 112.88 1rcx n ASN 36 Ca -0.00 -1.45 -0.15 0.00 -0.03 0.00 0.00 54.58 52.95 1rcx n ASN 36 Cb 0.29 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1rcx n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rcx n LYS 37 N -0.37 -1.83 -3.25 3.52 5.02 0.25 -5.02 118.16 116.48 1rcx n LYS 37 Ca 0.17 0.67 -0.30 0.00 -2.02 0.00 0.00 58.31 56.83 1rcx n LYS 37 Cb 0.19 -4.96 -0.04 0.00 -0.02 0.00 0.00 35.03 30.20 1rcx n LYS 37 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1rcx s TRP 38 N -2.79 3.45 -0.23 2.13 0.51 -0.91 -4.97 118.94 116.13 1rcx s TRP 38 Ca 0.06 0.83 -0.23 0.00 -2.12 0.00 0.00 56.10 54.65 1rcx s TRP 38 Cb -0.03 -2.25 -0.01 0.00 -0.81 0.00 0.00 33.47 30.37 1rcx s TRP 38 CO 0.08 0.14 0.74 0.08 -0.51 0.00 0.00 176.95 177.48 1rcx s VAL 39 N -2.06 4.92 0.45 4.03 1.01 -0.30 -4.53 120.40 123.92 1rcx s VAL 39 Ca 0.47 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 1rcx s VAL 39 Cb -0.11 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1rcx s VAL 39 CO 0.27 0.00 0.92 -2.16 0.00 0.00 0.00 175.10 174.12 1rcx s PRO 40 N 2.49 4.02 -0.03 2.72 0.04 -1.26 -0.55 135.00 142.44 1rcx s PRO 40 Ca 0.32 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 1rcx s PRO 40 Cb -0.16 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1rcx s PRO 40 CO 0.09 -0.11 0.45 0.00 0.04 0.00 0.00 177.00 177.46 1rcx s LEU 42 N -1.27 3.09 0.02 0.00 1.02 -1.26 -1.10 118.68 119.17 1rcx s LEU 42 Ca -0.13 -0.23 0.01 0.00 0.02 0.00 0.00 54.13 53.80 1rcx s LEU 42 Cb -0.03 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 1rcx s LEU 42 CO 0.06 0.25 -0.05 -1.61 0.02 0.00 0.00 176.35 175.03 1rcx s GLU 43 N -1.64 0.36 0.08 1.70 2.02 -0.89 -1.21 118.70 119.12 1rcx s GLU 43 Ca 0.18 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1rcx s GLU 43 Cb -0.11 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 1rcx s GLU 43 CO 0.09 0.04 -0.06 -0.59 0.02 0.00 0.00 175.26 174.76 1rcx s PHE 44 N -0.75 0.79 -0.22 1.61 -0.71 0.21 -1.26 117.98 117.65 1rcx s PHE 44 Ca -0.05 -0.84 -0.15 0.00 -1.04 0.00 0.00 56.93 54.84 1rcx s PHE 44 Cb -0.06 -0.47 0.06 0.00 -1.21 0.00 0.00 43.02 41.35 1rcx s PHE 44 CO -0.00 -0.16 0.55 -2.00 -1.34 0.00 0.00 175.22 172.27 1rcx s GLU 45 N -3.33 0.59 0.00 1.99 2.56 -0.47 -0.65 118.70 119.39 1rcx s GLU 45 Ca 0.06 0.91 0.00 0.00 0.00 0.00 0.00 54.97 55.95 1rcx s GLU 45 Cb 0.02 0.16 0.00 0.00 2.00 0.00 0.00 34.13 36.31 1rcx s GLU 45 CO -0.04 -0.12 0.00 0.25 -0.56 0.00 0.00 175.26 174.78 1rcx n THR 46 N 3.70 0.00 -0.04 -1.70 -2.24 -1.26 -0.64 114.28 112.10 1rcx n THR 46 Ca -0.19 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1rcx n THR 46 Cb 0.57 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 1rcx n THR 46 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1rcx h ASP 47 N 0.00 -0.03 -3.45 3.42 5.19 -1.97 -3.42 116.42 116.17 1rcx h ASP 47 Ca 0.00 -0.71 -0.62 0.00 -0.62 0.00 0.00 57.03 55.07 1rcx h ASP 47 Cb 0.84 0.01 -0.41 0.00 0.18 0.00 0.00 39.33 39.95 1rcx h ASP 47 CO 0.00 0.78 -0.62 -1.00 -3.12 0.00 0.00 179.24 175.28 1rcx s HIS 48 N -2.54 3.20 -0.01 4.55 3.76 -1.26 -4.95 115.29 118.04 1rcx s HIS 48 Ca -0.15 -3.17 0.28 0.00 -0.15 0.00 0.00 55.06 51.87 1rcx s HIS 48 Cb -0.02 -2.58 1.47 0.00 1.11 0.00 0.00 32.58 32.57 1rcx s HIS 48 CO 0.56 -0.63 1.87 0.78 -0.85 0.00 0.00 174.74 176.47 1rcx h GLY 49 N 5.82 0.00 -3.04 -2.22 0.00 -1.88 -3.44 103.07 98.30 1rcx h GLY 49 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 1rcx h GLY 49 CO 0.67 0.00 -0.70 -1.36 0.00 0.00 0.00 176.54 175.16 1rcx s PHE 50 N -3.67 0.86 0.57 5.60 0.08 -1.26 -5.11 117.98 115.05 1rcx s PHE 50 Ca -0.02 -0.93 -0.21 0.00 0.12 0.00 0.00 56.93 55.90 1rcx s PHE 50 Cb 0.09 -0.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 1rcx s PHE 50 CO 0.30 -0.17 1.35 0.54 -0.10 0.00 0.00 175.22 177.14 1rcx s VAL 51 N -3.65 2.05 0.38 -0.44 0.11 -1.26 -4.70 120.40 112.89 1rcx s VAL 51 Ca 0.11 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.10 1rcx s VAL 51 Cb 0.05 -3.02 0.04 0.00 -1.53 0.00 0.00 36.38 31.93 1rcx s VAL 51 CO -0.05 -0.00 0.68 -0.72 -3.33 0.00 0.00 175.10 171.68 1rcx s TYR 52 N -1.32 0.51 -0.35 1.54 1.13 -0.30 -4.98 117.35 113.58 1rcx s TYR 52 Ca 0.74 -1.03 -0.00 0.00 -1.41 0.00 0.00 57.07 55.37 1rcx s TYR 52 Cb -0.40 0.50 0.14 0.00 -1.10 0.00 0.00 41.96 41.10 1rcx s TYR 52 CO 0.46 -1.44 0.21 1.03 -2.51 0.00 0.00 175.55 173.30 1rcx s ARG 53 N -2.45 0.58 -0.19 -3.49 0.52 -1.26 0.27 118.95 112.92 1rcx s ARG 53 Ca 0.21 -1.34 0.17 0.00 -0.52 0.00 0.00 55.73 54.26 1rcx s ARG 53 Cb -0.03 -1.36 -0.24 0.00 0.52 0.00 0.00 34.95 33.83 1rcx s ARG 53 CO 0.15 -1.20 0.08 -1.91 0.02 0.00 0.00 175.30 172.44 1rcx n GLU 54 N 4.06 0.81 -0.00 3.54 2.13 -1.26 -4.68 120.64 125.23 1rcx n GLU 54 Ca 0.11 -0.01 0.07 0.00 0.66 0.00 0.00 57.16 57.99 1rcx n GLU 54 Cb 0.37 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.48 1rcx n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1rcx n HIS 55 N -2.71 0.00 -3.55 4.31 8.25 -1.26 -5.04 115.22 115.22 1rcx n HIS 55 Ca -0.31 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.08 1rcx n HIS 55 Cb 1.12 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 32.10 1rcx n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1rcx s HIS 56 N -2.61 -0.25 0.00 4.41 2.46 -1.26 -5.06 115.29 112.98 1rcx s HIS 56 Ca 0.02 0.14 0.06 0.00 0.47 0.00 0.00 55.06 55.76 1rcx s HIS 56 Cb 0.11 0.54 0.11 0.00 -0.13 0.00 0.00 32.58 33.20 1rcx s HIS 56 CO 0.62 -0.44 1.00 0.27 -2.47 0.00 0.00 174.74 173.72 1rcx n ASN 57 N -0.21 0.22 -4.77 9.88 6.94 -1.26 -4.77 115.26 121.28 1rcx n ASN 57 Ca -0.06 -1.92 -0.30 0.00 -0.02 0.00 0.00 54.58 52.28 1rcx n ASN 57 Cb 0.61 -0.19 0.10 0.00 -2.36 0.00 0.00 39.78 37.93 1rcx n ASN 57 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1rcx s SER 58 N -1.17 4.22 0.14 0.53 1.04 -1.26 -4.90 113.70 112.30 1rcx s SER 58 Ca 0.08 1.47 -0.35 0.00 0.48 0.00 0.00 55.95 57.64 1rcx s SER 58 Cb 0.10 -2.20 -0.16 0.00 0.10 0.00 0.00 66.02 63.86 1rcx s SER 58 CO -0.04 -2.16 1.30 -2.65 0.98 0.00 0.00 173.24 170.67 1rcx n PRO 59 N -3.57 1.32 -0.95 4.02 -0.02 -1.26 -1.96 135.00 132.57 1rcx n PRO 59 Ca 0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1rcx n PRO 59 Cb 0.55 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1rcx n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rcx n GLY 60 N 2.39 0.92 3.69 -1.23 0.00 -1.26 -5.00 105.19 104.70 1rcx n GLY 60 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1rcx n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rcx s TYR 61 N -3.73 3.35 0.01 1.61 6.14 -0.83 -5.07 117.35 118.84 1rcx s TYR 61 Ca 0.00 0.23 -0.11 0.00 0.64 0.00 0.00 57.07 57.83 1rcx s TYR 61 Cb 0.00 -2.15 0.01 0.00 0.42 0.00 0.00 41.96 40.24 1rcx s TYR 61 CO 0.00 0.21 0.23 0.71 0.64 0.00 0.00 175.55 177.34 1rcx s TYR 62 N 0.48 -0.04 0.32 4.97 1.51 -1.26 -4.67 117.35 118.66 1rcx s TYR 62 Ca 0.07 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 1rcx s TYR 62 Cb -0.12 0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.73 1rcx s TYR 62 CO -0.00 -0.38 0.39 -0.51 -1.11 0.00 0.00 175.55 173.94 1rcx s ASP 63 N -1.64 5.81 0.00 2.29 1.01 0.14 -4.50 116.67 119.78 1rcx s ASP 63 Ca -0.11 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1rcx s ASP 63 Cb -0.04 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.64 1rcx s ASP 63 CO 0.00 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.65 1rcx n GLY 64 N -1.51 1.63 0.25 0.21 0.00 -1.26 -1.15 105.19 103.36 1rcx n GLY 64 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1rcx n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rcx h ARG 65 N 2.99 0.84 -6.26 1.61 3.08 -1.91 -3.42 114.38 111.31 1rcx h ARG 65 Ca 0.00 -0.48 -0.55 0.00 0.07 0.00 0.00 59.98 59.02 1rcx h ARG 65 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1rcx h ARG 65 CO 0.00 1.12 0.28 0.71 -1.07 0.00 0.00 179.97 181.01 1rcx s TYR 66 N -4.24 3.62 0.46 3.04 2.02 -1.26 -5.05 117.35 115.94 1rcx s TYR 66 Ca -0.10 1.53 0.03 0.00 -0.37 0.00 0.00 57.07 58.16 1rcx s TYR 66 Cb 0.11 -3.01 0.03 0.00 -0.40 0.00 0.00 41.96 38.69 1rcx s TYR 66 CO 0.88 0.01 0.26 0.91 -1.57 0.00 0.00 175.55 176.04 1rcx n TRP 67 N 3.95 -0.28 -4.14 2.71 7.02 -1.26 -5.08 117.44 120.36 1rcx n TRP 67 Ca 0.04 -2.04 -0.35 0.00 -1.02 0.00 0.00 57.50 54.13 1rcx n TRP 67 Cb 0.51 -0.36 -0.09 0.00 -2.42 0.00 0.00 31.31 28.95 1rcx n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1rcx s THR 68 N -2.40 4.72 0.15 -0.99 -1.32 0.18 -4.88 115.64 111.10 1rcx s THR 68 Ca 0.20 -0.08 -0.31 0.00 -1.21 0.00 0.00 61.69 60.29 1rcx s THR 68 Cb -0.02 -3.06 -0.09 0.00 -1.51 0.00 0.00 72.50 67.83 1rcx s THR 68 CO 0.13 0.56 1.46 -0.32 -2.21 0.00 0.00 174.62 174.24 1rcx s MET 69 N -0.44 4.28 -0.41 7.08 1.75 -1.26 -0.62 119.30 129.68 1rcx s MET 69 Ca 0.09 2.21 -0.23 0.00 -1.25 0.00 0.00 55.69 56.51 1rcx s MET 69 Cb -0.12 -3.20 0.02 0.00 2.84 0.00 0.00 34.83 34.37 1rcx s MET 69 CO 0.02 -0.50 0.80 -0.46 -0.65 0.00 0.00 175.02 174.23 1rcx s TRP 70 N 0.99 3.04 0.00 4.11 -0.11 -0.35 -4.86 118.94 121.76 1rcx s TRP 70 Ca 0.66 0.37 0.00 0.00 1.22 0.00 0.00 56.10 58.35 1rcx s TRP 70 Cb -0.40 -3.56 0.00 0.00 -1.50 0.00 0.00 33.47 28.01 1rcx s TRP 70 CO 0.32 -0.87 0.00 1.63 -4.62 0.00 0.00 176.95 173.41 1rcx n LYS 71 N 6.61 0.00 -4.09 5.86 5.02 -1.26 -4.55 118.16 125.75 1rcx n LYS 71 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1rcx n LYS 71 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.40 1rcx n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rcx s LEU 72 N 0.00 1.57 0.33 -0.35 1.43 -1.26 -5.11 118.68 115.29 1rcx s LEU 72 Ca 0.00 -1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 51.72 1rcx s LEU 72 Cb 0.00 0.56 -0.11 0.00 0.03 0.00 0.00 46.19 46.67 1rcx s LEU 72 CO 0.00 -0.77 1.44 -2.84 0.23 0.00 0.00 176.35 174.41 1rcx s PRO 73 N -4.01 4.21 -1.29 1.29 0.02 -1.26 -4.79 135.00 129.17 1rcx s PRO 73 Ca 0.21 2.42 -0.14 0.00 0.02 0.00 0.00 61.00 63.51 1rcx s PRO 73 Cb 0.06 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 1rcx s PRO 73 CO 0.00 -0.42 2.33 -1.33 -0.33 0.00 0.00 177.00 177.25 1rcx n MET 74 N 1.17 2.68 -1.67 5.54 2.81 0.38 -4.95 117.12 123.08 1rcx n MET 74 Ca 0.03 -2.19 -0.46 0.00 -1.81 0.00 0.00 57.70 53.27 1rcx n MET 74 Cb 0.40 -2.98 -0.03 0.00 -0.71 0.00 0.00 33.22 29.90 1rcx n MET 74 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1rcx n PHE 75 N 5.50 2.17 -0.96 2.03 3.72 -1.26 -1.81 117.46 126.85 1rcx n PHE 75 Ca 0.57 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 58.35 1rcx n PHE 75 Cb 0.32 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 1rcx n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rcx n GLY 76 N 2.64 0.47 3.73 1.37 0.00 -1.26 -5.01 105.19 107.13 1rcx n GLY 76 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1rcx n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rcx n THR 78 N 2.89 0.23 -3.96 0.00 -2.24 -1.26 -4.96 114.28 104.97 1rcx n THR 78 Ca 0.06 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 1rcx n THR 78 Cb 0.44 1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 1rcx n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rcx s ASP 79 N -0.23 4.72 0.65 3.42 2.15 -1.26 -4.96 116.67 121.17 1rcx s ASP 79 Ca 0.00 -1.29 0.37 0.00 0.43 0.00 0.00 52.55 52.06 1rcx s ASP 79 Cb 0.00 -1.66 2.04 0.00 -0.30 0.00 0.00 42.92 43.00 1rcx s ASP 79 CO 0.00 -0.23 2.18 1.55 -0.17 0.00 0.00 175.17 178.50 1rcx h PRO 80 N 7.93 0.00 -0.10 4.34 0.13 -1.94 0.14 132.00 142.50 1rcx h PRO 80 Ca -0.21 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.83 1rcx h PRO 80 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1rcx h PRO 80 CO 0.51 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 177.94 1rcx h ALA 81 N 1.75 1.25 -0.45 -0.56 0.00 -1.99 -1.78 119.26 117.47 1rcx h ALA 81 Ca 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1rcx h ALA 81 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rcx h ALA 81 CO -0.00 0.52 0.07 1.96 0.00 0.00 0.00 179.25 181.80 1rcx h GLN 82 N 0.17 0.75 0.47 0.00 4.20 -1.14 -0.89 115.11 118.68 1rcx h GLN 82 Ca 0.02 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1rcx h GLN 82 Cb 0.69 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1rcx h GLN 82 CO 0.05 0.77 -0.23 0.28 -0.67 0.00 0.00 178.83 179.03 1rcx h VAL 83 N 0.61 0.53 -0.32 -0.54 2.07 -1.56 -1.40 116.25 115.64 1rcx h VAL 83 Ca 0.14 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1rcx h VAL 83 Cb 0.38 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1rcx h VAL 83 CO 0.01 0.03 0.22 -0.07 0.02 0.00 0.00 177.57 177.78 1rcx h LEU 84 N -0.72 0.21 -0.18 2.57 3.38 -1.28 0.22 115.31 119.50 1rcx h LEU 84 Ca -0.06 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1rcx h LEU 84 Cb 0.53 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1rcx h LEU 84 CO 0.11 0.14 -0.35 -1.13 0.09 0.00 0.00 178.44 177.30 1rcx h ASN 85 N 0.24 0.62 -0.21 -0.43 -0.73 -0.90 -1.79 115.58 112.39 1rcx h ASN 85 Ca 0.14 -0.55 -0.03 0.00 1.87 0.00 0.00 56.30 57.74 1rcx h ASN 85 Cb 0.25 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1rcx h ASN 85 CO -0.03 1.05 0.06 -0.33 -0.37 0.00 0.00 177.43 177.82 1rcx h GLU 86 N 0.22 0.41 -0.60 6.67 4.39 -0.12 0.10 114.58 125.65 1rcx h GLU 86 Ca 0.01 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1rcx h GLU 86 Cb 0.95 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 1rcx h GLU 86 CO 0.08 0.39 0.11 1.25 -1.16 0.00 0.00 179.01 179.68 1rcx h LEU 87 N 0.41 0.92 -0.48 1.33 5.85 -0.77 0.13 115.31 122.70 1rcx h LEU 87 Ca 0.10 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 1rcx h LEU 87 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1rcx h LEU 87 CO -0.00 0.91 -0.44 -0.33 -0.34 0.00 0.00 178.44 178.23 1rcx h GLU 88 N 0.91 0.76 -0.49 1.25 4.39 -0.16 -1.41 114.58 119.83 1rcx h GLU 88 Ca 0.19 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 1rcx h GLU 88 Cb 0.38 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1rcx h GLU 88 CO 0.01 1.05 0.15 0.93 -1.16 0.00 0.00 179.01 179.99 1rcx h GLU 89 N 0.61 0.76 -0.30 2.33 5.08 -0.43 -1.56 114.58 121.08 1rcx h GLU 89 Ca 0.04 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1rcx h GLU 89 Cb 1.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1rcx h GLU 89 CO 0.10 0.72 0.14 0.00 -1.00 0.00 0.00 179.01 178.97 1rcx h LYS 91 N 0.34 0.96 -0.22 0.00 1.57 -1.06 0.71 116.57 118.87 1rcx h LYS 91 Ca 0.10 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1rcx h LYS 91 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1rcx h LYS 91 CO -0.01 0.64 -0.37 1.57 -0.57 0.00 0.00 179.45 180.70 1rcx h LYS 92 N 0.99 0.49 0.02 3.15 5.09 -1.11 -1.27 116.57 123.93 1rcx h LYS 92 Ca 0.33 -0.23 -0.25 0.00 0.09 0.00 0.00 60.65 60.59 1rcx h LYS 92 Cb 0.04 -0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.38 1rcx h LYS 92 CO -0.13 0.79 -1.03 1.49 -2.09 0.00 0.00 179.45 178.49 1rcx h GLU 93 N 0.41 0.54 -2.17 0.07 4.81 -0.60 -3.38 114.58 114.26 1rcx h GLU 93 Ca 0.04 -0.61 -0.56 0.00 -0.13 0.00 0.00 59.36 58.10 1rcx h GLU 93 Cb 0.84 0.18 -0.41 0.00 0.63 0.00 0.00 28.75 29.99 1rcx h GLU 93 CO 0.07 1.23 -0.82 0.66 -0.73 0.00 0.00 179.01 179.41 1rcx n TYR 94 N -3.78 2.56 0.31 0.92 4.01 0.24 -4.87 117.16 116.54 1rcx n TYR 94 Ca -0.09 -3.94 0.11 0.00 -0.16 0.00 0.00 57.90 53.82 1rcx n TYR 94 Cb 0.88 -0.47 0.50 0.00 -0.31 0.00 0.00 39.34 39.94 1rcx n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1rcx n PRO 95 N 0.24 0.16 0.00 -0.72 -0.04 -0.48 -1.00 135.00 133.15 1rcx n PRO 95 Ca 0.28 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.36 1rcx n PRO 95 Cb 0.48 -1.87 0.33 0.00 -0.04 0.00 0.00 33.50 32.40 1rcx n PRO 95 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1rcx n ASN 96 N -2.18 0.92 -4.90 3.54 6.94 -1.26 -4.49 115.26 113.82 1rcx n ASN 96 Ca 0.01 -0.75 -0.21 0.00 -0.02 0.00 0.00 54.58 53.62 1rcx n ASN 96 Cb 0.15 0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 1rcx n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rcx s ALA 97 N -2.63 3.92 0.06 -2.53 0.00 -0.17 -4.68 121.76 115.72 1rcx s ALA 97 Ca 0.21 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 1rcx s ALA 97 Cb 0.19 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1rcx s ALA 97 CO 0.57 0.06 0.51 -0.06 0.00 0.00 0.00 175.76 176.84 1rcx s PHE 98 N -2.21 3.76 -0.03 0.00 0.40 0.19 -3.38 117.98 116.71 1rcx s PHE 98 Ca 0.40 1.15 0.02 0.00 -0.60 0.00 0.00 56.93 57.91 1rcx s PHE 98 Cb -0.07 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 41.05 1rcx s PHE 98 CO 0.28 0.59 -0.09 0.42 0.70 0.00 0.00 175.22 177.12 1rcx s ILE 99 N -1.14 0.78 0.14 0.64 1.01 -0.35 -1.37 121.20 120.91 1rcx s ILE 99 Ca 0.28 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1rcx s ILE 99 Cb -0.18 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1rcx s ILE 99 CO 0.17 0.25 -0.14 0.00 0.00 0.00 0.00 174.94 175.22 1rcx s ARG 100 N 0.26 1.10 -0.14 2.79 1.70 -0.39 0.13 118.95 124.40 1rcx s ARG 100 Ca -0.04 -1.35 -0.01 0.00 -0.47 0.00 0.00 55.73 53.86 1rcx s ARG 100 Cb -0.09 -0.91 -0.02 0.00 -0.57 0.00 0.00 34.95 33.36 1rcx s ARG 100 CO 0.01 0.16 -0.09 0.42 -1.08 0.00 0.00 175.30 174.71 1rcx s ILE 101 N -2.50 3.39 0.25 4.99 1.01 -0.21 -2.10 121.20 126.03 1rcx s ILE 101 Ca 0.13 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.33 1rcx s ILE 101 Cb -0.03 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1rcx s ILE 101 CO 0.03 0.52 -0.14 0.27 0.00 0.00 0.00 174.94 175.62 1rcx s ILE 102 N 0.31 1.98 -0.05 2.92 -4.36 -0.26 -1.54 121.20 120.19 1rcx s ILE 102 Ca -0.08 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.05 1rcx s ILE 102 Cb -0.15 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.35 1rcx s ILE 102 CO 0.05 -0.45 0.01 -0.83 0.24 0.00 0.00 174.94 173.95 1rcx s GLY 103 N -3.42 0.37 0.09 6.27 0.00 -0.70 -1.36 107.32 108.57 1rcx s GLY 103 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 44.72 44.86 1rcx s GLY 103 CO 0.11 1.01 0.47 -1.36 0.00 0.00 0.00 173.10 173.33 1rcx s PHE 104 N 1.71 3.63 -0.35 1.90 0.08 0.29 -1.24 117.98 123.99 1rcx s PHE 104 Ca 0.00 0.96 0.01 0.00 0.12 0.00 0.00 56.93 58.02 1rcx s PHE 104 Cb -0.13 -2.28 0.09 0.00 -0.57 0.00 0.00 43.02 40.14 1rcx s PHE 104 CO -0.04 0.51 0.08 0.34 -0.10 0.00 0.00 175.22 176.02 1rcx s ASP 105 N -1.60 4.93 0.38 1.36 -1.08 -0.32 -1.15 116.67 119.19 1rcx s ASP 105 Ca 0.33 -1.94 0.28 0.00 -0.52 0.00 0.00 52.55 50.69 1rcx s ASP 105 Cb -0.15 -1.70 1.21 0.00 -1.46 0.00 0.00 42.92 40.82 1rcx s ASP 105 CO 0.18 -0.41 1.83 0.77 0.52 0.00 0.00 175.17 178.06 1rcx h SER 106 N 7.83 0.00 0.22 -0.34 4.64 -1.94 0.79 113.55 124.75 1rcx h SER 106 Ca -0.10 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.96 1rcx h SER 106 Cb 1.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1rcx h SER 106 CO 0.58 0.00 -1.04 0.78 -0.87 0.00 0.00 176.83 176.28 1rcx h ASN 107 N 0.00 0.69 0.07 4.97 2.35 -1.95 -3.28 115.58 118.43 1rcx h ASN 107 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1rcx h ASN 107 Cb 0.35 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1rcx h ASN 107 CO 0.00 1.38 -1.65 0.54 -1.65 0.00 0.00 177.43 176.05 1rcx n ARG 108 N -3.77 0.47 -3.50 0.81 1.74 -1.05 -4.98 116.66 106.38 1rcx n ARG 108 Ca -0.09 -0.13 -0.19 0.00 -0.77 0.00 0.00 57.85 56.67 1rcx n ARG 108 Cb 0.88 -1.53 0.06 0.00 -1.02 0.00 0.00 32.46 30.85 1rcx n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1rcx n GLU 109 N -2.07 -4.68 -3.92 5.56 2.13 0.27 -5.01 120.64 112.92 1rcx n GLU 109 Ca -0.01 0.75 -0.10 0.00 0.66 0.00 0.00 57.16 58.45 1rcx n GLU 109 Cb 0.50 -5.49 -0.10 0.00 0.27 0.00 0.00 31.44 26.62 1rcx n GLU 109 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rcx s VAL 110 N -3.48 0.09 -0.36 6.31 1.01 -0.98 -4.99 120.40 118.00 1rcx s VAL 110 Ca 0.14 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1rcx s VAL 110 Cb -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1rcx s VAL 110 CO 0.77 -0.41 0.85 -1.10 0.00 0.00 0.00 175.10 175.21 1rcx s GLN 111 N -1.36 3.83 0.00 2.72 -0.21 -1.26 -1.18 119.66 122.20 1rcx s GLN 111 Ca -0.15 0.48 0.27 0.00 0.02 0.00 0.00 55.36 55.98 1rcx s GLN 111 Cb -0.08 -3.79 0.86 0.00 1.00 0.00 0.00 33.01 31.00 1rcx s GLN 111 CO 0.00 -0.87 1.63 0.00 -2.12 0.00 0.00 175.29 173.94 1rcx s ILE 113 N -2.31 0.04 -0.30 0.00 1.01 -1.21 -4.97 121.20 113.46 1rcx s ILE 113 Ca 0.29 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 1rcx s ILE 113 Cb 0.20 -0.44 0.17 0.00 0.01 0.00 0.00 42.46 42.40 1rcx s ILE 113 CO 0.45 -0.17 1.04 -0.55 0.00 0.00 0.00 174.94 175.71 1rcx s SER 114 N -0.67 -0.49 -0.01 3.58 0.15 -1.25 -1.72 113.70 113.29 1rcx s SER 114 Ca -0.08 0.61 -0.16 0.00 0.70 0.00 0.00 55.95 57.02 1rcx s SER 114 Cb -0.04 1.53 0.03 0.00 -1.71 0.00 0.00 66.02 65.83 1rcx s SER 114 CO 0.02 -0.09 0.34 0.72 1.20 0.00 0.00 173.24 175.43 1rcx s PHE 115 N 2.46 -0.21 0.03 3.44 -0.71 -0.59 -4.41 117.98 117.97 1rcx s PHE 115 Ca -0.01 0.30 -0.30 0.00 -1.04 0.00 0.00 56.93 55.87 1rcx s PHE 115 Cb -0.06 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1rcx s PHE 115 CO -0.17 -0.43 1.14 -1.50 -1.34 0.00 0.00 175.22 172.92 1rcx s ILE 116 N -1.51 4.29 -0.04 -4.49 1.10 -1.26 -1.04 121.20 118.24 1rcx s ILE 116 Ca -0.12 1.64 0.16 0.00 -0.51 0.00 0.00 60.65 61.82 1rcx s ILE 116 Cb -0.04 -4.05 -0.24 0.00 0.15 0.00 0.00 42.46 38.27 1rcx s ILE 116 CO 0.04 0.11 0.31 0.00 -2.11 0.00 0.00 174.94 173.28 1rcx n ALA 117 N 4.13 2.44 -3.45 1.50 0.00 0.12 -4.89 120.51 120.37 1rcx n ALA 117 Ca 0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 1rcx n ALA 117 Cb 0.48 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 1rcx n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1rcx s TYR 118 N -3.01 -0.58 -0.03 0.00 5.04 -0.75 -4.98 117.35 113.04 1rcx s TYR 118 Ca -0.06 1.36 0.04 0.00 -2.44 0.00 0.00 57.07 55.97 1rcx s TYR 118 Cb 0.10 0.22 -0.00 0.00 0.35 0.00 0.00 41.96 42.62 1rcx s TYR 118 CO 0.68 -0.33 -0.13 0.15 -1.34 0.00 0.00 175.55 174.58 1rcx s LYS 119 N 0.03 1.29 0.94 4.97 1.02 -1.26 -1.20 119.74 125.53 1rcx s LYS 119 Ca -0.02 -0.45 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 1rcx s LYS 119 Cb -0.04 -1.17 0.15 0.00 -0.52 0.00 0.00 37.83 36.25 1rcx s LYS 119 CO 0.02 0.20 1.09 -1.25 -0.92 0.00 0.00 175.35 174.49 1rcx s PRO 120 N 0.03 0.91 0.11 -1.68 0.04 -1.22 -4.85 135.00 128.34 1rcx s PRO 120 Ca -0.02 0.75 -0.35 0.00 0.04 0.00 0.00 61.00 61.42 1rcx s PRO 120 Cb -0.09 -1.77 -0.17 0.00 0.04 0.00 0.00 34.50 32.50 1rcx s PRO 120 CO 0.01 -2.46 1.14 0.00 0.04 0.00 0.00 177.00 175.73 1rcx n ALA 121 N -4.02 -1.72 -0.53 8.56 0.00 -1.26 -2.45 120.51 119.08 1rcx n ALA 121 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1rcx n ALA 121 Cb 0.56 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1rcx n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rcx n GLY 122 N 2.04 0.71 0.00 0.00 0.00 -1.26 -5.17 105.19 101.51 1rcx n GLY 122 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1rcx n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60