#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rny s GLU 2 N 0.00 4.36 0.84 -1.58 2.12 -1.26 -5.00 118.70 118.18 1rny s GLU 2 Ca 0.00 2.16 -0.11 0.00 0.36 0.00 0.00 54.97 57.37 1rny s GLU 2 Cb 0.00 -3.14 0.10 0.00 0.26 0.00 0.00 34.13 31.35 1rny s GLU 2 CO 0.00 -0.27 1.09 0.95 -0.54 0.00 0.00 175.26 176.49 1rny s THR 3 N -0.27 2.95 0.25 -1.70 -4.23 -1.26 -4.84 115.64 106.55 1rny s THR 3 Ca 0.55 0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1rny s THR 3 Cb -0.39 -2.84 0.16 0.00 1.34 0.00 0.00 72.50 70.77 1rny s THR 3 CO 0.43 -0.40 1.81 0.00 -0.54 0.00 0.00 174.62 175.92 1rny h ALA 4 N -1.33 1.15 -0.37 3.99 0.00 -1.95 -1.22 119.26 119.52 1rny h ALA 4 Ca -0.47 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1rny h ALA 4 Cb 1.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1rny h ALA 4 CO 0.54 0.60 -0.05 0.00 0.00 0.00 0.00 179.25 180.34 1rny h ALA 5 N 1.28 0.50 -0.26 0.00 0.00 -1.90 -2.19 119.26 116.69 1rny h ALA 5 Ca 0.22 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1rny h ALA 5 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rny h ALA 5 CO -0.01 0.32 -0.31 0.00 0.00 0.00 0.00 179.25 179.25 1rny h ALA 6 N 0.84 0.98 -0.38 0.00 0.00 -1.87 -2.64 119.26 116.19 1rny h ALA 6 Ca 0.10 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1rny h ALA 6 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rny h ALA 6 CO 0.03 0.60 -0.33 -0.22 0.00 0.00 0.00 179.25 179.33 1rny h LYS 7 N 0.46 0.85 -0.34 0.00 3.64 -1.08 -1.58 116.57 118.51 1rny h LYS 7 Ca 0.06 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1rny h LYS 7 Cb 0.77 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1rny h LYS 7 CO 0.06 1.06 0.17 0.35 -2.27 0.00 0.00 179.45 178.82 1rny h PHE 8 N 0.71 0.32 -0.41 1.91 3.04 -1.20 -0.79 116.94 120.53 1rny h PHE 8 Ca 0.07 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1rny h PHE 8 Cb 0.89 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1rny h PHE 8 CO 0.05 0.18 0.21 0.93 -2.02 0.00 0.00 178.31 177.66 1rny h GLU 9 N 0.36 0.58 -0.41 1.11 5.08 -1.35 -0.40 114.58 119.55 1rny h GLU 9 Ca 0.14 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1rny h GLU 9 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1rny h GLU 9 CO -0.10 0.48 0.08 -0.09 -1.00 0.00 0.00 179.01 178.38 1rny h ARG 10 N 0.52 0.68 0.04 2.33 2.43 -1.10 -1.80 114.38 117.48 1rny h ARG 10 Ca 0.14 -0.18 -0.23 0.00 -0.81 0.00 0.00 59.98 58.91 1rny h ARG 10 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1rny h ARG 10 CO -0.02 0.71 -1.02 1.96 -1.51 0.00 0.00 179.97 180.09 1rny h GLN 11 N 0.53 0.21 0.00 0.20 4.20 -1.04 -3.40 115.11 115.82 1rny h GLN 11 Ca 0.13 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1rny h GLN 11 Cb 0.36 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1rny h GLN 11 CO 0.01 1.06 -0.38 0.72 -0.67 0.00 0.00 178.83 179.57 1rny n HIS 12 N -3.58 0.00 -3.79 2.96 8.25 -0.17 -4.67 115.22 114.22 1rny n HIS 12 Ca -0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.05 1rny n HIS 12 Cb 0.90 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.92 1rny n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rny s MET 13 N -1.62 3.85 -0.43 -0.41 -1.94 -0.68 -0.24 119.30 117.84 1rny s MET 13 Ca 0.02 -0.16 0.05 0.00 -1.71 0.00 0.00 55.69 53.89 1rny s MET 13 Cb 0.04 -3.31 0.19 0.00 2.01 0.00 0.00 34.83 33.76 1rny s MET 13 CO 0.22 0.52 0.47 -3.47 -0.01 0.00 0.00 175.02 172.75 1rny n ASP 14 N 2.81 -0.94 -0.02 3.03 2.03 -0.41 -4.88 116.55 118.18 1rny n ASP 14 Ca -0.18 -2.58 0.15 0.00 0.52 0.00 0.00 54.79 52.70 1rny n ASP 14 Cb 0.53 -0.08 0.72 0.00 -0.72 0.00 0.00 41.12 41.57 1rny n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rny n SER 15 N 2.47 0.09 0.07 1.67 7.64 -1.26 -3.89 113.62 120.41 1rny n SER 15 Ca 0.25 -0.19 0.13 0.00 1.01 0.00 0.00 58.87 60.07 1rny n SER 15 Cb 0.51 -0.25 0.47 0.00 -1.01 0.00 0.00 64.21 63.94 1rny n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rny n SER 16 N -1.24 0.49 -4.17 6.43 3.41 -1.26 -4.79 113.62 112.49 1rny n SER 16 Ca 0.14 0.56 -0.19 0.00 -0.26 0.00 0.00 58.87 59.11 1rny n SER 16 Cb 0.25 -0.69 -0.13 0.00 -0.26 0.00 0.00 64.21 63.39 1rny n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rny s THR 17 N -3.09 1.15 -0.40 6.66 -4.23 -1.25 -5.04 115.64 109.44 1rny s THR 17 Ca 0.10 -1.19 0.23 0.00 -1.18 0.00 0.00 61.69 59.66 1rny s THR 17 Cb 0.14 -1.07 0.18 0.00 1.34 0.00 0.00 72.50 73.08 1rny s THR 17 CO 0.52 -0.12 1.37 0.77 -0.54 0.00 0.00 174.62 176.63 1rny h SER 18 N 4.56 0.00 -4.77 3.99 4.64 -1.86 -3.44 113.55 116.66 1rny h SER 18 Ca -0.40 -0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.04 1rny h SER 18 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1rny h SER 18 CO 0.42 0.01 0.51 0.00 -0.87 0.00 0.00 176.83 176.90 1rny s ALA 19 N -3.26 -1.81 0.03 5.18 0.00 -1.26 -4.84 121.76 115.79 1rny s ALA 19 Ca 0.04 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 1rny s ALA 19 Cb 0.08 0.43 -0.10 0.00 0.00 0.00 0.00 23.12 23.54 1rny s ALA 19 CO 0.72 -0.75 1.95 0.00 0.00 0.00 0.00 175.76 177.67 1rny n ALA 20 N -0.28 1.53 -1.00 0.00 0.00 -1.26 -4.94 120.51 114.55 1rny n ALA 20 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1rny n ALA 20 Cb 0.61 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.42 1rny n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rny n SER 21 N 7.20 0.00 -3.18 0.00 3.41 -1.26 -4.96 113.62 114.83 1rny n SER 21 Ca 0.20 0.08 -0.11 0.00 -0.26 0.00 0.00 58.87 58.78 1rny n SER 21 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1rny n SER 21 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rny n SER 22 N -0.10 1.73 0.00 4.04 3.41 -1.26 -5.00 113.62 116.44 1rny n SER 22 Ca 0.00 -1.79 0.14 0.00 -0.26 0.00 0.00 58.87 56.96 1rny n SER 22 Cb 0.00 -0.02 0.71 0.00 -0.26 0.00 0.00 64.21 64.64 1rny n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rny n SER 23 N -1.93 0.00 -0.38 4.04 3.41 -1.26 -2.75 113.62 114.75 1rny n SER 23 Ca -0.01 -0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1rny n SER 23 Cb 0.26 -0.25 0.23 0.00 -0.26 0.00 0.00 64.21 64.19 1rny n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rny n ASN 24 N -1.25 1.50 -0.13 4.04 2.85 -1.26 -4.41 115.26 116.59 1rny n ASN 24 Ca 0.14 -1.20 -0.04 0.00 -0.11 0.00 0.00 54.58 53.36 1rny n ASN 24 Cb 0.20 0.26 0.02 0.00 1.24 0.00 0.00 39.78 41.50 1rny n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1rny h TYR 25 N 1.86 -0.38 -0.73 1.20 3.20 -1.91 -1.96 116.97 118.25 1rny h TYR 25 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1rny h TYR 25 Cb 0.62 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1rny h TYR 25 CO 0.00 -0.24 0.27 0.00 -1.64 0.00 0.00 178.16 176.55 1rny h ASN 27 N 1.07 0.64 0.42 0.00 -0.26 -1.72 -0.97 115.58 114.77 1rny h ASN 27 Ca 0.24 -0.16 -0.29 0.00 -0.56 0.00 0.00 56.30 55.53 1rny h ASN 27 Cb 0.24 -0.17 0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1rny h ASN 27 CO -0.02 0.76 -1.29 0.06 -1.06 0.00 0.00 177.43 175.88 1rny h GLN 28 N 0.62 0.42 -0.04 0.81 3.07 -1.02 -3.26 115.11 115.70 1rny h GLN 28 Ca 0.12 -0.66 -0.18 0.00 0.09 0.00 0.00 58.65 58.01 1rny h GLN 28 Cb 0.49 0.24 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 1rny h GLN 28 CO 0.03 1.30 -0.77 0.52 0.09 0.00 0.00 178.83 179.99 1rny h MET 29 N 0.14 0.30 -0.22 0.06 2.86 -1.02 -0.76 114.93 116.29 1rny h MET 29 Ca -0.17 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.12 1rny h MET 29 Cb 1.99 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.70 1rny h MET 29 CO 0.23 0.94 -0.18 0.52 1.06 0.00 0.00 176.91 179.47 1rny h MET 30 N 0.19 0.38 0.02 1.72 2.86 -1.30 -1.72 114.93 117.08 1rny h MET 30 Ca -0.03 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1rny h MET 30 Cb 1.36 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1rny h MET 30 CO 0.13 0.55 -0.01 -0.22 1.06 0.00 0.00 176.91 178.42 1rny h LYS 31 N 0.35 -0.02 0.00 1.72 3.64 -1.59 0.33 116.57 121.00 1rny h LYS 31 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1rny h LYS 31 Cb 0.52 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1rny h LYS 31 CO 0.03 0.65 -0.01 0.66 -2.27 0.00 0.00 179.45 178.52 1rny h SER 32 N -0.96 0.00 -0.65 4.20 4.64 -1.11 -1.08 113.55 118.60 1rny h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rny h SER 32 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1rny h SER 32 CO 0.00 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1rny n ARG 33 N -3.16 3.53 -3.69 4.77 5.12 -0.65 -4.94 116.66 117.65 1rny n ARG 33 Ca -0.02 -2.76 -0.25 0.00 -1.93 0.00 0.00 57.85 52.90 1rny n ARG 33 Cb 0.15 -1.84 0.06 0.00 -1.16 0.00 0.00 32.46 29.67 1rny n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rny n ASN 34 N 1.18 -4.59 -0.97 0.55 3.02 -0.41 -4.88 115.26 109.16 1rny n ASN 34 Ca 0.25 -0.66 0.11 0.00 -0.03 0.00 0.00 54.58 54.24 1rny n ASN 34 Cb 0.83 -4.57 0.16 0.00 -0.61 0.00 0.00 39.78 35.60 1rny n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rny n LEU 35 N -4.69 3.11 0.00 3.41 4.77 0.12 -4.10 117.00 119.61 1rny n LEU 35 Ca -0.06 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 1rny n LEU 35 Cb 0.58 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1rny n LEU 35 CO 0.68 0.64 0.37 0.35 -1.33 0.00 0.00 177.39 178.09 1rny n THR 36 N 1.27 0.52 0.28 -5.08 -2.24 -1.18 -2.64 114.28 105.21 1rny n THR 36 Ca 0.16 -0.69 -0.16 0.00 -2.27 0.00 0.00 64.05 61.09 1rny n THR 36 Cb 0.55 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.49 1rny n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rny h LYS 37 N 0.00 -0.86 0.00 -0.78 1.63 -1.88 -3.32 116.57 111.36 1rny h LYS 37 Ca 0.00 0.06 -0.20 0.00 -0.85 0.00 0.00 60.65 59.66 1rny h LYS 37 Cb 0.37 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 1rny h LYS 37 CO 0.00 -0.57 -1.64 -0.25 -3.45 0.00 0.00 179.45 173.54 1rny n ASP 38 N -5.00 0.67 -2.64 4.20 9.92 -1.26 -5.01 116.55 117.43 1rny n ASP 38 Ca -0.11 0.30 -0.07 0.00 -0.53 0.00 0.00 54.79 54.38 1rny n ASP 38 Cb 0.40 0.39 0.02 0.00 -0.64 0.00 0.00 41.12 41.29 1rny n ASP 38 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1rny n ARG 39 N -2.84 0.91 -3.32 -1.24 -4.01 -1.25 -5.09 116.66 99.82 1rny n ARG 39 Ca -0.14 -1.82 -0.41 0.00 -1.04 0.00 0.00 57.85 54.44 1rny n ARG 39 Cb 0.89 2.30 -0.09 0.00 -3.04 0.00 0.00 32.46 32.52 1rny n ARG 39 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1rny s LYS 41 N 2.19 4.27 0.14 0.00 2.20 -1.08 -4.90 119.74 122.56 1rny s LYS 41 Ca 0.15 2.22 -0.12 0.00 -0.36 0.00 0.00 55.97 57.85 1rny s LYS 41 Cb -0.16 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1rny s LYS 41 CO 0.13 -0.51 1.54 -1.00 -0.36 0.00 0.00 175.35 175.15 1rny h PRO 42 N 6.68 0.87 -4.44 4.03 0.13 -1.94 -3.44 132.00 133.90 1rny h PRO 42 Ca -0.43 -0.35 -0.31 0.00 -0.87 0.00 0.00 66.00 64.05 1rny h PRO 42 Cb 1.21 -0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 1rny h PRO 42 CO 0.88 0.99 -0.75 0.08 -0.23 0.00 0.00 178.00 178.98 1rny s VAL 43 N -4.74 0.48 -0.28 1.56 1.01 -1.26 -1.20 120.40 115.97 1rny s VAL 43 Ca -0.12 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1rny s VAL 43 Cb 0.11 -0.47 0.10 0.00 0.00 0.00 0.00 36.38 36.12 1rny s VAL 43 CO 0.84 -0.08 0.82 0.21 0.00 0.00 0.00 175.10 176.89 1rny s ASN 44 N -0.73 -0.71 -0.09 3.32 2.47 0.48 -5.01 114.94 114.67 1rny s ASN 44 Ca -0.03 1.24 -0.01 0.00 0.42 0.00 0.00 52.86 54.49 1rny s ASN 44 Cb -0.05 1.28 -0.03 0.00 -1.45 0.00 0.00 41.25 40.99 1rny s ASN 44 CO 0.00 -0.20 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.23 1rny s THR 45 N 0.92 3.83 -0.11 -5.21 2.01 -1.26 -0.78 115.64 115.03 1rny s THR 45 Ca -0.04 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1rny s THR 45 Cb -0.05 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1rny s THR 45 CO -0.10 0.58 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.02 1rny s PHE 46 N -0.55 3.06 -0.21 4.92 0.08 0.15 -4.29 117.98 121.13 1rny s PHE 46 Ca 0.08 -0.03 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1rny s PHE 46 Cb -0.12 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 1rny s PHE 46 CO 0.02 0.24 0.02 0.08 -0.10 0.00 0.00 175.22 175.48 1rny s VAL 47 N -0.37 4.01 -0.99 -0.44 1.01 0.66 -0.73 120.40 123.55 1rny s VAL 47 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1rny s VAL 47 Cb -0.12 -2.83 0.32 0.00 0.00 0.00 0.00 36.38 33.75 1rny s VAL 47 CO 0.02 0.41 1.75 1.41 0.00 0.00 0.00 175.10 178.68 1rny n HIS 48 N 4.46 2.87 -4.28 5.22 -0.00 0.04 -1.29 115.22 122.25 1rny n HIS 48 Ca -0.17 -2.68 -0.15 0.00 -0.00 0.00 0.00 57.72 54.72 1rny n HIS 48 Cb 0.52 -1.14 -0.10 0.00 -0.00 0.00 0.00 29.99 29.26 1rny n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rny s GLU 49 N -4.23 1.24 0.68 -0.41 0.41 -1.26 -4.56 118.70 110.57 1rny s GLU 49 Ca 0.40 -1.63 -0.13 0.00 -0.41 0.00 0.00 54.97 53.19 1rny s GLU 49 Cb 0.19 -0.28 0.01 0.00 -1.78 0.00 0.00 34.13 32.27 1rny s GLU 49 CO -0.13 -0.20 1.09 -1.54 -0.49 0.00 0.00 175.26 173.99 1rny s SER 50 N -3.24 5.12 0.20 -0.19 1.04 -1.26 -4.23 113.70 111.15 1rny s SER 50 Ca 0.30 1.85 -0.10 0.00 0.48 0.00 0.00 55.95 58.48 1rny s SER 50 Cb 0.07 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.86 1rny s SER 50 CO 0.08 -1.62 1.81 0.25 0.98 0.00 0.00 173.24 174.75 1rny h LEU 51 N -0.33 0.55 -1.23 2.42 5.85 -1.98 -1.92 115.31 118.67 1rny h LEU 51 Ca -0.45 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1rny h LEU 51 Cb 1.23 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1rny h LEU 51 CO 0.54 0.37 0.54 0.00 -0.34 0.00 0.00 178.44 179.55 1rny h ALA 52 N 1.32 1.55 -0.15 1.25 0.00 -1.99 0.13 119.26 121.37 1rny h ALA 52 Ca 0.28 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1rny h ALA 52 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rny h ALA 52 CO -0.16 0.34 -0.52 -0.44 0.00 0.00 0.00 179.25 178.47 1rny h ASP 53 N 0.96 0.46 -0.27 0.00 3.32 -1.73 -1.91 116.42 117.24 1rny h ASP 53 Ca 0.35 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1rny h ASP 53 Cb 0.15 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1rny h ASP 53 CO -0.12 0.90 -0.27 0.58 -1.72 0.00 0.00 179.24 178.61 1rny h VAL 54 N 0.33 1.31 -0.61 -1.35 2.07 -0.79 -3.05 116.25 114.15 1rny h VAL 54 Ca 0.01 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1rny h VAL 54 Cb 1.02 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1rny h VAL 54 CO 0.09 0.46 0.41 1.56 0.02 0.00 0.00 177.57 180.10 1rny h GLN 55 N 0.39 0.67 0.00 1.57 4.20 -0.71 -1.75 115.11 119.48 1rny h GLN 55 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rny h GLN 55 Cb 0.83 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1rny h GLN 55 CO 0.07 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1rny n ALA 56 N -2.46 1.48 0.26 3.87 0.00 -0.73 -1.75 120.51 121.18 1rny n ALA 56 Ca 0.08 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1rny n ALA 56 Cb 0.16 -1.29 0.68 0.00 0.00 0.00 0.00 19.45 19.00 1rny n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1rny h VAL 57 N 0.00 0.61 0.00 0.00 2.07 -1.37 -1.52 116.25 116.04 1rny h VAL 57 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1rny h VAL 57 Cb 0.23 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1rny h VAL 57 CO 0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1rny n SER 59 N -1.45 2.80 0.00 0.00 3.41 -0.57 -5.01 113.62 112.80 1rny n SER 59 Ca 0.02 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1rny n SER 59 Cb 0.08 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1rny n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rny n GLN 60 N -0.29 2.08 -2.54 4.33 6.02 0.52 -5.00 117.38 122.51 1rny n GLN 60 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 1rny n GLN 60 Cb 0.51 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.75 1rny n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rny s LYS 61 N 4.18 4.05 -0.24 -1.09 2.47 -1.07 -4.86 119.74 123.17 1rny s LYS 61 Ca 0.00 1.23 -0.28 0.00 -1.56 0.00 0.00 55.97 55.36 1rny s LYS 61 Cb 0.00 -3.78 0.01 0.00 -1.46 0.00 0.00 37.83 32.59 1rny s LYS 61 CO 0.00 -0.93 1.00 1.21 0.16 0.00 0.00 175.35 176.79 1rny s ASN 62 N 2.05 7.03 0.22 1.43 3.04 -1.26 0.10 114.94 127.55 1rny s ASN 62 Ca 0.50 1.28 0.02 0.00 0.04 0.00 0.00 52.86 54.70 1rny s ASN 62 Cb -0.15 -2.52 -0.05 0.00 -1.54 0.00 0.00 41.25 36.99 1rny s ASN 62 CO 0.17 -0.66 0.04 0.68 -3.04 0.00 0.00 177.10 174.30 1rny s VAL 63 N 3.16 0.68 0.41 -5.21 -7.23 -0.64 -4.94 120.40 106.63 1rny s VAL 63 Ca 0.42 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 1rny s VAL 63 Cb -0.15 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1rny s VAL 63 CO 0.07 -0.24 1.08 0.00 -0.31 0.00 0.00 175.10 175.70 1rny s ALA 64 N -3.67 3.07 0.54 1.32 0.00 -1.26 -3.23 121.76 118.54 1rny s ALA 64 Ca 0.31 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 1rny s ALA 64 Cb 0.07 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1rny s ALA 64 CO 0.09 -0.33 0.93 0.00 0.00 0.00 0.00 175.76 176.45 1rny h LYS 66 N 0.17 0.14 -0.07 0.00 1.57 -1.92 -0.47 116.57 115.99 1rny h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1rny h LYS 66 Cb 1.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rny h LYS 66 CO 0.62 0.10 0.00 0.27 -0.57 0.00 0.00 179.45 179.87 1rny n ASN 67 N -4.47 0.57 0.00 0.86 0.23 -1.26 -4.89 115.26 106.31 1rny n ASN 67 Ca 0.04 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1rny n ASN 67 Cb 0.29 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1rny n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rny n GLY 68 N 0.86 1.22 3.79 4.83 0.00 -0.19 -5.05 105.19 110.65 1rny n GLY 68 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1rny n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rny s GLN 69 N -0.44 2.95 -0.32 1.61 -0.21 -1.26 -4.73 119.66 117.27 1rny s GLN 69 Ca 0.00 1.23 0.09 0.00 0.02 0.00 0.00 55.36 56.70 1rny s GLN 69 Cb 0.00 -1.98 0.57 0.00 1.00 0.00 0.00 33.01 32.60 1rny s GLN 69 CO 0.00 -1.11 1.59 0.25 -2.12 0.00 0.00 175.29 173.90 1rny n THR 70 N -2.51 2.70 -1.62 -0.19 -2.24 -1.26 -0.49 114.28 108.67 1rny n THR 70 Ca 0.09 -2.35 -0.19 0.00 -2.27 0.00 0.00 64.05 59.33 1rny n THR 70 Cb 0.53 -0.35 0.11 0.00 -2.10 0.00 0.00 70.33 68.52 1rny n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rny n ASN 71 N -0.96 4.58 -4.85 3.42 2.04 -1.26 -4.78 115.26 113.45 1rny n ASN 71 Ca 0.38 -3.78 -0.32 0.00 -0.44 0.00 0.00 54.58 50.43 1rny n ASN 71 Cb 1.20 -0.62 -0.06 0.00 -2.53 0.00 0.00 39.78 37.77 1rny n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rny s TYR 73 N -1.36 0.30 -0.19 0.00 1.51 0.14 -1.61 117.35 116.14 1rny s TYR 73 Ca 0.29 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.23 1rny s TYR 73 Cb -0.12 -0.29 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1rny s TYR 73 CO 0.21 -0.06 0.08 -1.14 -1.11 0.00 0.00 175.55 173.53 1rny s GLN 74 N 0.43 4.03 0.45 -0.62 0.74 0.28 -1.98 119.66 123.00 1rny s GLN 74 Ca -0.04 -0.31 -0.25 0.00 0.05 0.00 0.00 55.36 54.81 1rny s GLN 74 Cb -0.07 -3.28 -0.08 0.00 1.10 0.00 0.00 33.01 30.68 1rny s GLN 74 CO -0.01 0.27 1.39 -1.54 -0.55 0.00 0.00 175.29 174.86 1rny s SER 75 N 0.38 5.90 0.16 6.67 1.04 -0.56 -2.60 113.70 124.70 1rny s SER 75 Ca 0.04 2.85 -0.09 0.00 0.48 0.00 0.00 55.95 59.23 1rny s SER 75 Cb -0.12 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1rny s SER 75 CO -0.00 -1.15 1.50 1.88 0.98 0.00 0.00 173.24 176.44 1rny h TYR 76 N 2.30 1.05 -0.94 5.02 0.05 -1.96 -3.43 116.97 119.05 1rny h TYR 76 Ca -0.51 -0.31 -0.57 0.00 0.05 0.00 0.00 58.73 57.39 1rny h TYR 76 Cb 1.27 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 38.73 1rny h TYR 76 CO 0.50 1.12 -0.37 -1.54 -1.05 0.00 0.00 178.16 176.82 1rny s SER 77 N -6.85 4.63 0.42 3.88 1.04 -1.26 -5.07 113.70 110.50 1rny s SER 77 Ca -0.10 -1.15 -0.11 0.00 0.48 0.00 0.00 55.95 55.07 1rny s SER 77 Cb 0.11 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.23 1rny s SER 77 CO 0.87 -0.89 0.79 0.42 0.98 0.00 0.00 173.24 175.42 1rny s THR 78 N -2.69 4.77 0.17 2.02 -4.23 -1.26 -4.36 115.64 110.07 1rny s THR 78 Ca 0.36 0.64 0.07 0.00 -1.18 0.00 0.00 61.69 61.59 1rny s THR 78 Cb -0.01 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1rny s THR 78 CO 0.21 -0.58 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.53 1rny s MET 79 N -3.97 1.24 -0.17 3.99 -1.94 0.79 -4.83 119.30 114.41 1rny s MET 79 Ca 0.52 -1.47 -0.29 0.00 -1.71 0.00 0.00 55.69 52.73 1rny s MET 79 Cb -0.10 -1.09 -0.01 0.00 2.01 0.00 0.00 34.83 35.64 1rny s MET 79 CO 0.33 0.19 1.19 0.45 -0.01 0.00 0.00 175.02 177.18 1rny s SER 80 N -2.99 7.00 0.14 3.03 0.15 -1.26 -1.70 113.70 118.07 1rny s SER 80 Ca 0.18 1.61 0.01 0.00 0.70 0.00 0.00 55.95 58.45 1rny s SER 80 Cb -0.02 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1rny s SER 80 CO 0.06 -0.72 0.00 0.27 1.20 0.00 0.00 173.24 174.05 1rny s ILE 81 N 3.30 0.51 -0.10 6.45 -4.36 -0.27 -0.78 121.20 125.95 1rny s ILE 81 Ca 0.52 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1rny s ILE 81 Cb -0.20 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.55 1rny s ILE 81 CO 0.13 -0.58 -0.08 -0.89 0.24 0.00 0.00 174.94 173.76 1rny s THR 82 N -3.77 1.01 -0.08 8.37 2.01 0.09 -1.60 115.64 121.69 1rny s THR 82 Ca 0.21 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 1rny s THR 82 Cb 0.06 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1rny s THR 82 CO 0.01 0.36 0.58 -0.62 -0.69 0.00 0.00 174.62 174.26 1rny s ASP 83 N 1.56 6.86 -0.19 3.53 2.15 0.11 -0.68 116.67 130.00 1rny s ASP 83 Ca 0.02 1.03 0.01 0.00 0.43 0.00 0.00 52.55 54.03 1rny s ASP 83 Cb -0.13 -2.35 0.02 0.00 -0.30 0.00 0.00 42.92 40.16 1rny s ASP 83 CO -0.06 -0.02 -0.17 0.00 -0.17 0.00 0.00 175.17 174.74 1rny s ARG 85 N 1.29 0.01 0.42 0.00 3.52 -1.10 -0.39 118.95 122.70 1rny s ARG 85 Ca 0.04 0.20 -0.26 0.00 -0.13 0.00 0.00 55.73 55.57 1rny s ARG 85 Cb -0.14 -0.33 -0.10 0.00 -1.56 0.00 0.00 34.95 32.83 1rny s ARG 85 CO -0.11 -0.19 1.42 0.39 -0.81 0.00 0.00 175.30 176.00 1rny n GLU 86 N 4.35 2.33 -2.64 5.12 1.02 -0.34 -0.23 120.64 130.24 1rny n GLU 86 Ca -0.24 0.82 -0.28 0.00 -0.02 0.00 0.00 57.16 57.44 1rny n GLU 86 Cb 0.50 -2.59 -0.01 0.00 -0.02 0.00 0.00 31.44 29.33 1rny n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rny s THR 87 N -1.16 4.88 0.52 2.62 -4.23 -0.82 -4.81 115.64 112.64 1rny s THR 87 Ca 0.58 0.32 0.31 0.00 -1.18 0.00 0.00 61.69 61.72 1rny s THR 87 Cb -0.47 -3.84 0.49 0.00 1.34 0.00 0.00 72.50 70.01 1rny s THR 87 CO 0.60 -0.80 1.86 1.23 -0.54 0.00 0.00 174.62 176.97 1rny h GLY 88 N 0.41 0.13 -3.97 3.99 0.00 -1.94 -1.47 103.07 100.21 1rny h GLY 88 Ca -0.47 -0.02 -0.65 0.00 0.00 0.00 0.00 47.33 46.19 1rny h GLY 88 CO 0.62 -0.01 0.78 -1.14 0.00 0.00 0.00 176.54 176.79 1rny n SER 89 N -4.29 7.06 -4.79 0.19 3.41 -1.26 -4.96 113.62 108.97 1rny n SER 89 Ca 0.20 -3.77 -0.36 0.00 -0.26 0.00 0.00 58.87 54.69 1rny n SER 89 Cb 1.00 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1rny n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rny s SER 90 N -1.84 6.23 -0.17 4.04 0.15 -0.56 -4.80 113.70 116.75 1rny s SER 90 Ca 0.63 0.33 -0.04 0.00 0.70 0.00 0.00 55.95 57.57 1rny s SER 90 Cb 0.50 -2.05 0.08 0.00 -1.71 0.00 0.00 66.02 62.84 1rny s SER 90 CO 0.01 0.30 0.25 -1.59 1.20 0.00 0.00 173.24 173.41 1rny s LYS 91 N -0.34 0.19 0.29 5.44 0.00 -0.29 -4.90 119.74 120.13 1rny s LYS 91 Ca 0.11 0.47 -0.29 0.00 0.00 0.00 0.00 55.97 56.26 1rny s LYS 91 Cb -0.12 -0.62 -0.13 0.00 0.00 0.00 0.00 37.83 36.97 1rny s LYS 91 CO 0.01 -0.49 1.34 0.98 0.00 0.00 0.00 175.35 177.18 1rny n TYR 92 N 5.34 2.19 1.83 1.78 9.36 -1.26 0.31 117.16 136.70 1rny n TYR 92 Ca -0.05 0.50 0.08 0.00 3.32 0.00 0.00 57.90 61.75 1rny n TYR 92 Cb 0.50 -2.43 0.45 0.00 -0.63 0.00 0.00 39.34 37.22 1rny n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rny n PRO 93 N 1.27 1.16 -2.90 2.98 -0.04 -1.26 -4.97 135.00 131.24 1rny n PRO 93 Ca 0.08 -0.24 -0.44 0.00 -0.04 0.00 0.00 63.50 62.87 1rny n PRO 93 Cb 0.34 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1rny n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rny n ASN 94 N -0.52 5.36 -4.73 3.54 4.13 0.91 -5.00 115.26 118.95 1rny n ASN 94 Ca 0.13 -3.06 -0.41 0.00 1.68 0.00 0.00 54.58 52.92 1rny n ASN 94 Cb 0.11 -1.49 -0.04 0.00 -1.54 0.00 0.00 39.78 36.83 1rny n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rny s ALA 96 N 0.15 0.99 0.10 0.00 0.00 -1.26 -4.93 121.76 116.82 1rny s ALA 96 Ca 0.52 -0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1rny s ALA 96 Cb -0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1rny s ALA 96 CO 0.34 0.17 -0.17 0.71 0.00 0.00 0.00 175.76 176.81 1rny s TYR 97 N 0.13 1.53 -0.23 0.00 1.51 -1.26 -1.95 117.35 117.07 1rny s TYR 97 Ca -0.03 -0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 55.46 1rny s TYR 97 Cb -0.09 -0.83 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1rny s TYR 97 CO 0.01 0.16 0.17 0.21 -1.11 0.00 0.00 175.55 174.98 1rny s LYS 98 N -2.09 4.10 -0.19 -0.62 2.20 0.68 -4.71 119.74 119.11 1rny s LYS 98 Ca 0.05 -0.23 -0.15 0.00 -0.36 0.00 0.00 55.97 55.28 1rny s LYS 98 Cb -0.09 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1rny s LYS 98 CO 0.04 0.09 0.35 0.99 -0.36 0.00 0.00 175.35 176.46 1rny s THR 99 N 0.96 5.24 -0.20 3.43 2.01 -1.26 -2.71 115.64 123.11 1rny s THR 99 Ca 0.08 0.63 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 1rny s THR 99 Cb -0.13 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.75 1rny s THR 99 CO 0.04 0.30 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.36 1rny s THR 100 N 1.03 1.04 0.10 -0.82 2.01 -0.63 -4.99 115.64 113.39 1rny s THR 100 Ca 0.18 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 61.10 1rny s THR 100 Cb -0.14 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 1rny s THR 100 CO 0.07 -0.08 0.82 -1.58 -0.69 0.00 0.00 174.62 173.16 1rny s GLN 101 N 1.63 4.58 0.26 4.92 2.00 -1.26 0.04 119.66 131.83 1rny s GLN 101 Ca -0.02 1.20 -0.18 0.00 -2.00 0.00 0.00 55.36 54.36 1rny s GLN 101 Cb -0.17 -3.34 0.01 0.00 0.80 0.00 0.00 33.01 30.31 1rny s GLN 101 CO -0.07 0.35 0.61 0.00 -0.50 0.00 0.00 175.29 175.68 1rny s ALA 102 N -0.37 -0.83 -0.28 1.58 0.00 -0.62 -4.97 121.76 116.27 1rny s ALA 102 Ca 0.40 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1rny s ALA 102 Cb -0.22 0.94 0.08 0.00 0.00 0.00 0.00 23.12 23.91 1rny s ALA 102 CO 0.26 -0.95 0.01 1.21 0.00 0.00 0.00 175.76 176.29 1rny s ASN 103 N -2.95 4.08 0.29 0.00 2.47 -1.26 -1.11 114.94 116.46 1rny s ASN 103 Ca 0.15 -1.51 -0.09 0.00 0.42 0.00 0.00 52.86 51.84 1rny s ASN 103 Cb -0.04 -1.19 0.00 0.00 -1.45 0.00 0.00 41.25 38.58 1rny s ASN 103 CO 0.07 -0.31 0.49 -1.59 -3.72 0.00 0.00 177.10 172.03 1rny s LYS 104 N 1.35 1.72 0.33 0.43 -2.85 -0.69 -4.79 119.74 115.24 1rny s LYS 104 Ca 0.02 -1.47 -0.27 0.00 -1.00 0.00 0.00 55.97 53.25 1rny s LYS 104 Cb -0.18 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 1rny s LYS 104 CO -0.11 -0.72 1.06 -1.01 0.10 0.00 0.00 175.35 174.67 1rny s HIS 105 N -3.53 3.49 0.13 1.78 3.76 -1.26 -0.14 115.29 119.53 1rny s HIS 105 Ca 0.25 1.70 0.05 0.00 -0.15 0.00 0.00 55.06 56.91 1rny s HIS 105 Cb -0.01 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.46 1rny s HIS 105 CO 0.13 -0.46 0.07 0.96 -0.85 0.00 0.00 174.74 174.59 1rny s ILE 106 N -1.38 4.27 -0.13 0.60 -4.36 -1.26 -0.74 121.20 118.20 1rny s ILE 106 Ca 0.50 -1.06 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 1rny s ILE 106 Cb -0.27 -3.12 0.02 0.00 1.25 0.00 0.00 42.46 40.34 1rny s ILE 106 CO 0.34 -0.02 -0.12 -0.63 0.24 0.00 0.00 174.94 174.75 1rny s ILE 107 N -1.59 1.38 0.12 8.37 1.09 0.66 -1.49 121.20 129.74 1rny s ILE 107 Ca 0.29 -0.52 0.06 0.00 -1.10 0.00 0.00 60.65 59.38 1rny s ILE 107 Cb -0.11 -1.31 -0.04 0.00 -1.06 0.00 0.00 42.46 39.94 1rny s ILE 107 CO 0.21 0.43 -0.16 0.68 -0.10 0.00 0.00 174.94 176.00 1rny s VAL 108 N 1.47 1.42 -0.14 2.92 -7.23 -0.84 -1.31 120.40 116.70 1rny s VAL 108 Ca 0.03 -1.66 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 1rny s VAL 108 Cb -0.13 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1rny s VAL 108 CO -0.08 -0.33 0.16 0.00 -0.31 0.00 0.00 175.10 174.54 1rny s ALA 109 N -1.88 3.80 0.17 1.32 0.00 -0.36 0.25 121.76 125.07 1rny s ALA 109 Ca 0.08 -0.62 0.11 0.00 0.00 0.00 0.00 51.96 51.53 1rny s ALA 109 Cb -0.06 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1rny s ALA 109 CO 0.04 0.46 -0.25 0.00 0.00 0.00 0.00 175.76 176.01 1rny s GLU 111 N -2.43 1.70 0.90 0.00 2.02 -0.50 -4.90 118.70 115.49 1rny s GLU 111 Ca 0.18 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1rny s GLU 111 Cb -0.09 0.59 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1rny s GLU 111 CO 0.08 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.00 1rny n GLY 112 N -0.45 -2.07 2.61 -1.39 0.00 -1.26 -2.18 105.19 100.45 1rny n GLY 112 Ca -0.05 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 1rny n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rny s ASN 113 N -3.99 2.44 0.74 1.61 3.84 -1.26 -2.24 114.94 116.09 1rny s ASN 113 Ca 0.00 -0.69 -0.13 0.00 0.21 0.00 0.00 52.86 52.25 1rny s ASN 113 Cb 0.00 -0.18 0.05 0.00 -0.55 0.00 0.00 41.25 40.56 1rny s ASN 113 CO 0.00 -0.36 1.12 -2.16 -2.79 0.00 0.00 177.10 172.91 1rny s PRO 114 N 2.16 2.28 -0.64 0.43 0.04 -1.26 -5.07 135.00 132.93 1rny s PRO 114 Ca 0.04 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 1rny s PRO 114 Cb -0.16 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1rny s PRO 114 CO -0.15 -1.65 1.19 -0.47 0.04 0.00 0.00 177.00 175.96 1rny s TYR 115 N -2.55 2.50 0.30 0.56 5.04 -0.95 -4.87 117.35 117.37 1rny s TYR 115 Ca 0.66 0.15 0.06 0.00 -2.44 0.00 0.00 57.07 55.49 1rny s TYR 115 Cb -0.21 -4.51 -0.06 0.00 0.35 0.00 0.00 41.96 37.53 1rny s TYR 115 CO 0.50 -1.76 -0.02 0.14 -1.34 0.00 0.00 175.55 173.07 1rny s VAL 116 N 5.13 1.50 0.16 3.14 -7.23 -0.93 -4.83 120.40 117.34 1rny s VAL 116 Ca 0.38 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 1rny s VAL 116 Cb -0.09 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1rny s VAL 116 CO 0.20 -0.20 1.35 -2.84 -0.31 0.00 0.00 175.10 173.30 1rny s PRO 117 N -3.78 4.35 0.00 4.82 0.02 -1.26 -1.42 135.00 137.73 1rny s PRO 117 Ca 0.32 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1rny s PRO 117 Cb 0.06 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1rny s PRO 117 CO 0.13 -0.35 0.00 1.33 -0.33 0.00 0.00 177.00 177.78 1rny n VAL 118 N 3.24 0.00 -3.76 3.83 0.24 -0.27 -4.56 118.33 117.06 1rny n VAL 118 Ca 0.09 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1rny n VAL 118 Cb 0.42 0.80 -0.11 0.00 -1.47 0.00 0.00 33.84 33.49 1rny n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rny s HIS 119 N -0.92 -0.36 -0.46 6.34 5.65 -1.16 -4.66 115.29 119.72 1rny s HIS 119 Ca 0.00 0.86 -0.20 0.00 0.25 0.00 0.00 55.06 55.97 1rny s HIS 119 Cb 0.00 0.12 0.03 0.00 -1.18 0.00 0.00 32.58 31.55 1rny s HIS 119 CO 0.00 -0.18 0.60 0.12 -0.65 0.00 0.00 174.74 174.62 1rny s PHE 120 N 0.38 3.08 -0.12 3.88 2.19 -1.26 -1.22 117.98 124.91 1rny s PHE 120 Ca -0.02 -0.27 -0.23 0.00 0.33 0.00 0.00 56.93 56.74 1rny s PHE 120 Cb -0.04 -3.31 -0.27 0.00 -1.31 0.00 0.00 43.02 38.09 1rny s PHE 120 CO -0.02 -0.89 0.68 0.22 1.83 0.00 0.00 175.22 177.04 1rny h ASP 121 N 8.89 0.20 -5.89 6.13 3.58 -1.54 -3.49 116.42 124.29 1rny h ASP 121 Ca -0.26 -0.88 0.37 0.00 0.42 0.00 0.00 57.03 56.67 1rny h ASP 121 Cb 1.10 -0.07 -0.10 0.00 1.72 0.00 0.00 39.33 41.99 1rny h ASP 121 CO 0.90 1.30 0.93 0.00 -2.88 0.00 0.00 179.24 179.49 1rny s ALA 122 N -2.35 -2.51 0.11 -0.78 0.00 -1.10 -4.95 121.76 110.17 1rny s ALA 122 Ca -0.19 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.22 1rny s ALA 122 Cb 0.01 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1rny s ALA 122 CO 0.73 -1.12 -0.15 -1.54 0.00 0.00 0.00 175.76 173.67 1rny s SER 123 N -3.51 2.06 0.00 0.00 1.04 -1.26 -0.25 113.70 111.79 1rny s SER 123 Ca 0.24 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1rny s SER 123 Cb 0.02 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1rny s SER 123 CO -0.03 -0.09 0.11 0.52 0.98 0.00 0.00 173.24 174.73