#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ayp h LEU 2 N 0.00 0.00 -0.20 -4.53 3.38 -1.65 -2.76 115.31 109.56 1ayp h LEU 2 Ca 0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1ayp h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ayp h LEU 2 CO 0.00 0.02 -0.10 0.58 0.09 0.00 0.00 178.44 179.03 1ayp h VAL 3 N 0.00 1.31 0.28 1.22 2.07 -1.99 -2.62 116.25 116.52 1ayp h VAL 3 Ca 0.00 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.37 1ayp h VAL 3 Cb 0.81 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1ayp h VAL 3 CO 0.00 0.35 -0.40 0.78 0.02 0.00 0.00 177.57 178.32 1ayp h ASN 4 N 0.11 -1.11 -1.13 0.57 4.21 -1.95 -1.76 115.58 114.51 1ayp h ASN 4 Ca 0.04 0.11 0.32 0.00 1.21 0.00 0.00 56.30 57.98 1ayp h ASN 4 Cb 0.59 0.39 -0.10 0.00 -1.12 0.00 0.00 38.32 38.08 1ayp h ASN 4 CO 0.03 -0.51 0.73 0.15 -1.29 0.00 0.00 177.43 176.54 1ayp h PHE 5 N -0.73 0.59 0.00 1.19 3.57 -1.51 0.71 116.94 120.75 1ayp h PHE 5 Ca -0.01 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 1ayp h PHE 5 Cb 0.69 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1ayp h PHE 5 CO -0.27 -0.03 -0.68 1.25 -2.23 0.00 0.00 178.31 176.35 1ayp h HIS 6 N 0.28 0.00 0.00 0.41 2.76 -0.95 -2.50 115.15 115.15 1ayp h HIS 6 Ca 0.66 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.70 1ayp h HIS 6 Cb 1.87 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.81 1ayp h HIS 6 CO -0.00 0.64 -0.64 0.00 -1.30 0.00 0.00 177.93 176.63 1ayp h ARG 7 N 0.00 0.00 -0.45 5.26 2.47 0.12 -3.19 114.38 118.58 1ayp h ARG 7 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ayp h ARG 7 Cb 1.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.80 1ayp h ARG 7 CO 0.08 0.64 0.27 0.52 0.56 0.00 0.00 179.97 182.04 1ayp h MET 8 N 0.00 0.62 0.00 0.04 2.86 -1.23 -2.81 114.93 114.40 1ayp h MET 8 Ca -0.01 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1ayp h MET 8 Cb 1.47 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 1ayp h MET 8 CO 0.08 0.47 -0.23 0.82 1.06 0.00 0.00 176.91 179.11 1ayp h ILE 9 N 0.60 0.52 -0.32 -1.22 2.04 -1.46 -2.14 117.51 115.54 1ayp h ILE 9 Ca 0.16 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1ayp h ILE 9 Cb 0.01 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1ayp h ILE 9 CO -0.03 0.23 0.12 0.11 0.00 0.00 0.00 178.15 178.58 1ayp h LYS 10 N 0.00 0.49 -0.01 2.37 1.79 -1.54 -2.67 116.57 117.00 1ayp h LYS 10 Ca -0.00 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1ayp h LYS 10 Cb 0.83 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1ayp h LYS 10 CO 0.03 0.50 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.73 1ayp h LEU 11 N 0.37 0.01 0.00 2.94 4.07 -1.13 -0.02 115.31 121.55 1ayp h LEU 11 Ca 0.11 -0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.70 1ayp h LEU 11 Cb 0.20 -0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 1ayp h LEU 11 CO -0.01 0.11 -2.38 0.35 -1.08 0.00 0.00 178.44 175.44 1ayp n THR 12 N -4.41 1.38 -0.06 0.22 -2.24 -0.97 -4.67 114.28 103.52 1ayp n THR 12 Ca -0.03 -0.76 -0.07 0.00 -2.27 0.00 0.00 64.05 60.93 1ayp n THR 12 Cb 0.18 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.59 1ayp n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ayp n THR 13 N -2.88 0.80 -0.65 4.28 -2.24 -1.02 -4.77 114.28 107.81 1ayp n THR 13 Ca -0.36 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1ayp n THR 13 Cb 1.09 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1ayp n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ayp n GLY 14 N 2.45 0.81 3.91 3.38 0.00 -0.02 -5.04 105.19 110.68 1ayp n GLY 14 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1ayp n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ayp s LYS 15 N -0.35 3.33 -0.60 1.61 1.02 -1.25 -4.91 119.74 118.58 1ayp s LYS 15 Ca 0.00 0.18 -0.24 0.00 0.02 0.00 0.00 55.97 55.93 1ayp s LYS 15 Cb 0.00 -2.31 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 1ayp s LYS 15 CO 0.00 -0.41 0.97 -2.00 -0.92 0.00 0.00 175.35 172.99 1ayp s GLU 16 N -4.87 3.23 0.51 1.68 2.56 -1.26 -3.92 118.70 116.63 1ayp s GLU 16 Ca 0.50 -0.49 0.24 0.00 0.00 0.00 0.00 54.97 55.22 1ayp s GLU 16 Cb -0.10 -4.13 1.39 0.00 2.00 0.00 0.00 34.13 33.29 1ayp s GLU 16 CO 0.46 -1.65 2.08 0.00 -0.56 0.00 0.00 175.26 175.59 1ayp h ALA 17 N 9.45 1.43 -0.40 6.30 0.00 -1.90 -1.42 119.26 132.72 1ayp h ALA 17 Ca -0.27 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1ayp h ALA 17 Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ayp h ALA 17 CO 1.13 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 180.36 1ayp h ALA 18 N 1.88 0.56 0.00 0.00 0.00 -1.94 0.49 119.26 120.26 1ayp h ALA 18 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ayp h ALA 18 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ayp h ALA 18 CO 0.02 0.50 -1.45 -0.11 0.00 0.00 0.00 179.25 178.20 1ayp n LEU 19 N -4.26 0.26 -0.01 0.00 7.94 -1.23 -2.51 117.00 117.20 1ayp n LEU 19 Ca -0.01 -0.17 -0.21 0.00 -1.11 0.00 0.00 56.01 54.51 1ayp n LEU 19 Cb 0.41 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.23 1ayp n LEU 19 CO 0.44 0.07 -0.89 -0.24 -1.11 0.00 0.00 177.39 175.66 1ayp n SER 20 N -1.86 2.11 -0.05 1.96 2.88 -0.54 -4.64 113.62 113.47 1ayp n SER 20 Ca -0.01 0.16 -0.04 0.00 -1.33 0.00 0.00 58.87 57.66 1ayp n SER 20 Cb 0.39 -0.80 -0.11 0.00 -0.75 0.00 0.00 64.21 62.94 1ayp n SER 20 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ayp n TYR 21 N -3.46 0.00 -0.12 0.66 4.01 0.15 -4.41 117.16 113.98 1ayp n TYR 21 Ca -0.34 0.00 0.27 0.00 -0.16 0.00 0.00 57.90 57.67 1ayp n TYR 21 Cb 1.04 -0.58 0.72 0.00 -0.31 0.00 0.00 39.34 40.20 1ayp n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ayp h GLY 22 N 2.63 0.00 0.00 2.72 0.00 -0.49 -2.87 103.07 105.06 1ayp h GLY 22 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ayp h GLY 22 CO 0.02 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.25 1ayp n PHE 23 N -4.03 0.00 -1.42 5.60 3.72 -1.26 -3.31 117.46 116.76 1ayp n PHE 23 Ca 0.16 -0.07 -0.36 0.00 -0.05 0.00 0.00 57.45 57.13 1ayp n PHE 23 Cb 0.94 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.54 1ayp n PHE 23 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1ayp n TYR 24 N -0.07 0.30 -1.55 1.38 4.19 -0.50 -3.76 117.16 117.15 1ayp n TYR 24 Ca 0.00 0.40 0.00 0.00 3.31 0.00 0.00 57.90 61.61 1ayp n TYR 24 Cb 0.07 -2.05 0.00 0.00 0.49 0.00 0.00 39.34 37.85 1ayp n TYR 24 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ayp n GLY 25 N 1.32 1.53 0.12 2.98 0.00 0.50 -2.76 105.19 108.88 1ayp n GLY 25 Ca 0.13 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1ayp n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ayp n HIS 27 N -3.15 0.00 -3.39 0.00 8.25 -1.26 -3.61 115.22 112.06 1ayp n HIS 27 Ca -0.40 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.69 1ayp n HIS 27 Cb 1.04 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 32.09 1ayp n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ayp n GLY 29 N 3.52 -0.06 3.50 0.00 0.00 -1.21 -3.35 105.19 107.60 1ayp n GLY 29 Ca -0.08 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.29 1ayp n GLY 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ayp n VAL 30 N -0.34 2.05 -1.76 1.61 3.14 -1.26 -4.78 118.33 117.00 1ayp n VAL 30 Ca 0.00 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1ayp n VAL 30 Cb 0.00 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 1ayp n VAL 30 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ayp n GLY 31 N 1.50 0.93 0.00 7.55 0.00 -1.26 -5.01 105.19 108.90 1ayp n GLY 31 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ayp n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ayp n GLY 32 N 0.00 3.26 3.25 -0.02 0.00 -1.26 -4.75 105.19 105.67 1ayp n GLY 32 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1ayp n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ayp s ARG 33 N -2.10 0.95 1.26 1.61 3.52 -1.24 -4.99 118.95 117.96 1ayp s ARG 33 Ca 0.00 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 1ayp s ARG 33 Cb 0.00 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 1ayp s ARG 33 CO 0.00 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 1ayp n GLY 34 N -0.12 0.70 3.79 8.12 0.00 -1.25 -4.65 105.19 111.78 1ayp n GLY 34 Ca -0.13 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1ayp n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ayp s SER 35 N -4.00 7.26 -0.04 1.61 0.01 -0.86 -3.37 113.70 114.31 1ayp s SER 35 Ca 0.00 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.57 1ayp s SER 35 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1ayp s SER 35 CO 0.00 0.09 1.23 -2.16 0.41 0.00 0.00 173.24 172.80 1ayp s PRO 36 N -1.65 4.35 0.16 12.44 0.04 -1.26 -4.79 135.00 144.30 1ayp s PRO 36 Ca 0.42 1.72 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 1ayp s PRO 36 Cb -0.20 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1ayp s PRO 36 CO 0.24 -0.45 1.56 0.87 0.04 0.00 0.00 177.00 179.25 1ayp h LYS 37 N 7.47 -0.21 0.00 4.56 1.79 -1.96 -3.46 116.57 124.75 1ayp h LYS 37 Ca -0.35 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1ayp h LYS 37 Cb 1.17 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1ayp h LYS 37 CO 0.88 -0.14 0.00 -0.40 -1.08 0.00 0.00 179.45 178.71 1ayp n ASP 38 N -5.38 0.00 0.12 0.86 5.75 -1.26 -5.05 116.55 111.59 1ayp n ASP 38 Ca 0.01 -0.27 0.10 0.00 -0.01 0.00 0.00 54.79 54.62 1ayp n ASP 38 Cb 0.34 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 1ayp n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ayp h ALA 39 N 1.58 0.63 0.00 2.12 0.00 -1.93 -1.00 119.26 120.66 1ayp h ALA 39 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ayp h ALA 39 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ayp h ALA 39 CO 0.00 0.15 -0.45 1.79 0.00 0.00 0.00 179.25 180.75 1ayp h THR 40 N 0.00 1.19 -0.22 0.00 1.35 -1.89 0.40 112.91 113.75 1ayp h THR 40 Ca -0.02 -1.60 -0.18 0.00 -0.55 0.00 0.00 66.41 64.06 1ayp h THR 40 Cb 1.10 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1ayp h THR 40 CO 0.01 0.44 -0.57 -0.78 -0.25 0.00 0.00 175.52 174.37 1ayp h ASP 41 N 0.00 0.88 0.47 5.36 3.58 -1.93 -0.66 116.42 124.12 1ayp h ASP 41 Ca -0.00 -0.57 -0.05 0.00 0.42 0.00 0.00 57.03 56.82 1ayp h ASP 41 Cb 0.86 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1ayp h ASP 41 CO 0.06 1.29 -0.25 0.03 -2.88 0.00 0.00 179.24 177.49 1ayp h ARG 42 N 0.50 0.00 -0.19 0.28 2.47 -0.16 -0.51 114.38 116.77 1ayp h ARG 42 Ca -0.01 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1ayp h ARG 42 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1ayp h ARG 42 CO 0.12 0.25 -0.33 0.00 0.56 0.00 0.00 179.97 180.57 1ayp h VAL 45 N 0.42 0.81 -0.38 0.00 -1.51 -1.16 -0.80 116.25 113.63 1ayp h VAL 45 Ca 0.08 -1.06 -0.15 0.00 -1.23 0.00 0.00 66.70 64.34 1ayp h VAL 45 Cb 0.61 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1ayp h VAL 45 CO 0.04 0.26 -0.35 0.74 -1.23 0.00 0.00 177.57 177.03 1ayp h THR 46 N 0.00 1.28 -0.49 7.19 2.02 -1.45 0.42 112.91 121.87 1ayp h THR 46 Ca -0.00 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 65.57 1ayp h THR 46 Cb 0.63 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1ayp h THR 46 CO 0.03 0.51 -0.06 -0.74 0.37 0.00 0.00 175.52 175.63 1ayp h HIS 47 N 0.73 0.95 -0.14 3.16 6.17 -0.81 0.21 115.15 125.42 1ayp h HIS 47 Ca 0.07 -0.16 -0.20 0.00 0.71 0.00 0.00 60.37 60.78 1ayp h HIS 47 Cb 0.92 -0.25 0.01 0.00 2.52 0.00 0.00 27.41 30.61 1ayp h HIS 47 CO 0.05 0.89 -0.71 -0.44 0.71 0.00 0.00 177.93 178.43 1ayp h ASP 48 N 0.79 0.86 0.66 3.26 3.32 -0.87 0.64 116.42 125.08 1ayp h ASP 48 Ca 0.14 -0.64 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1ayp h ASP 48 Cb 0.56 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1ayp h ASP 48 CO 0.03 1.36 -0.02 0.00 -1.72 0.00 0.00 179.24 178.90 1ayp h TYR 51 N -0.94 0.57 -0.99 0.00 -1.99 -0.80 -2.23 116.97 110.60 1ayp h TYR 51 Ca -0.00 -0.04 0.15 0.00 2.00 0.00 0.00 58.73 60.83 1ayp h TYR 51 Cb 0.75 -0.17 -0.09 0.00 2.00 0.00 0.00 36.73 39.21 1ayp h TYR 51 CO 0.20 0.51 0.62 -0.22 -0.00 0.00 0.00 178.16 179.27 1ayp h LYS 52 N 0.47 0.85 0.00 4.88 3.64 -1.20 -0.82 116.57 124.39 1ayp h LYS 52 Ca 0.13 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1ayp h LYS 52 Cb 0.17 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ayp h LYS 52 CO -0.01 0.56 -0.16 0.07 -2.27 0.00 0.00 179.45 177.64 1ayp h ARG 53 N 0.87 0.00 0.45 1.90 0.11 -1.31 -3.17 114.38 113.24 1ayp h ARG 53 Ca 0.52 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.58 1ayp h ARG 53 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1ayp h ARG 53 CO -0.29 0.16 -0.22 1.25 0.10 0.00 0.00 179.97 180.97 1ayp h LEU 54 N 0.00 -0.52 -8.03 0.08 5.85 -0.61 -3.36 115.31 108.73 1ayp h LEU 54 Ca -0.00 0.02 -0.54 0.00 0.84 0.00 0.00 57.88 58.19 1ayp h LEU 54 Cb 0.79 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 1ayp h LEU 54 CO 0.02 -0.18 1.55 -1.83 -0.34 0.00 0.00 178.44 177.66 1ayp s GLU 55 N -3.61 3.41 0.00 1.25 -1.05 -0.55 -2.55 118.70 115.60 1ayp s GLU 55 Ca -0.09 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 1ayp s GLU 55 Cb 0.01 -5.36 0.00 0.00 -0.44 0.00 0.00 34.13 28.34 1ayp s GLU 55 CO 0.27 -2.64 0.00 1.17 0.95 0.00 0.00 175.26 175.00 1ayp n LYS 56 N 8.65 0.00 0.00 -4.83 4.81 -1.26 -4.79 118.16 120.74 1ayp n LYS 56 Ca 0.41 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.99 1ayp n LYS 56 Cb 0.48 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.26 1ayp n LYS 56 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ayp n ARG 57 N -1.85 0.33 0.00 1.64 1.74 -1.06 -4.86 116.66 112.60 1ayp n ARG 57 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ayp n ARG 57 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1ayp n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ayp n GLY 58 N 1.34 1.19 3.82 -0.13 0.00 -1.25 -5.09 105.19 105.06 1ayp n GLY 58 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1ayp n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ayp s GLY 60 N -1.67 3.03 0.00 0.00 0.00 -1.26 -4.13 107.32 103.29 1ayp s GLY 60 Ca 0.43 0.91 0.00 0.00 0.00 0.00 0.00 44.72 46.05 1ayp s GLY 60 CO 0.21 1.49 0.00 -1.30 0.00 0.00 0.00 173.10 173.50 1ayp n THR 61 N 1.03 0.00 -0.29 0.90 -2.24 -1.26 -4.67 114.28 107.75 1ayp n THR 61 Ca -0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1ayp n THR 61 Cb 0.45 -0.78 0.31 0.00 -2.10 0.00 0.00 70.33 68.21 1ayp n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ayp h LYS 62 N 0.00 0.82 -0.09 -0.78 6.56 -1.95 -2.96 116.57 118.17 1ayp h LYS 62 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1ayp h LYS 62 Cb 0.00 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.47 1ayp h LYS 62 CO 0.00 0.54 0.00 1.19 -2.06 0.00 0.00 179.45 179.12 1ayp n PHE 63 N -4.55 0.11 -3.27 -1.35 3.72 -1.26 -1.80 117.46 109.05 1ayp n PHE 63 Ca 0.16 -0.18 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1ayp n PHE 63 Cb 0.36 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 1ayp n PHE 63 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ayp s LEU 64 N -0.76 4.08 0.15 4.37 2.96 -1.12 -4.70 118.68 123.65 1ayp s LEU 64 Ca 0.11 0.52 -0.18 0.00 -0.22 0.00 0.00 54.13 54.36 1ayp s LEU 64 Cb 0.07 -2.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 1ayp s LEU 64 CO 0.10 -0.23 0.63 -0.94 -1.32 0.00 0.00 176.35 174.59 1ayp s SER 65 N 1.42 7.02 0.36 3.68 1.04 -1.26 0.11 113.70 126.07 1ayp s SER 65 Ca 0.21 1.29 0.05 0.00 0.48 0.00 0.00 55.95 57.97 1ayp s SER 65 Cb -0.15 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1ayp s SER 65 CO 0.09 0.14 0.17 0.00 0.98 0.00 0.00 173.24 174.62 1ayp n TYR 66 N 1.11 -0.09 -4.74 5.02 0.18 -1.26 -4.83 117.16 112.54 1ayp n TYR 66 Ca -0.06 -2.45 -0.24 0.00 1.88 0.00 0.00 57.90 57.03 1ayp n TYR 66 Cb 0.51 0.06 -0.15 0.00 -0.38 0.00 0.00 39.34 39.39 1ayp n TYR 66 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1ayp s LYS 67 N -3.38 1.36 0.20 -3.48 3.01 -1.26 -4.95 119.74 111.23 1ayp s LYS 67 Ca 0.23 -0.70 -0.14 0.00 -1.01 0.00 0.00 55.97 54.35 1ayp s LYS 67 Cb 0.01 -1.35 0.01 0.00 -1.01 0.00 0.00 37.83 35.49 1ayp s LYS 67 CO 0.17 0.36 0.45 -0.59 0.51 0.00 0.00 175.35 176.25 1ayp s PHE 68 N -0.54 0.11 0.24 3.18 -0.71 -1.26 -0.15 117.98 118.86 1ayp s PHE 68 Ca 0.06 -0.47 -0.02 0.00 -1.04 0.00 0.00 56.93 55.46 1ayp s PHE 68 Cb -0.07 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 1ayp s PHE 68 CO 0.00 -0.89 0.25 -1.54 -1.34 0.00 0.00 175.22 171.70 1ayp s SER 69 N -2.93 0.38 0.13 1.98 1.04 -0.27 -4.90 113.70 109.12 1ayp s SER 69 Ca 0.14 -1.36 -0.13 0.00 0.48 0.00 0.00 55.95 55.08 1ayp s SER 69 Cb 0.00 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ayp s SER 69 CO 0.01 -0.97 0.34 0.54 0.98 0.00 0.00 173.24 174.14 1ayp s ASN 70 N -3.17 -0.11 -0.09 7.02 4.22 -1.26 -0.12 114.94 121.44 1ayp s ASN 70 Ca 0.35 -0.49 -0.01 0.00 -2.14 0.00 0.00 52.86 50.57 1ayp s ASN 70 Cb 0.04 0.44 0.03 0.00 1.28 0.00 0.00 41.25 43.05 1ayp s ASN 70 CO 0.14 -0.84 -0.00 -0.55 -2.04 0.00 0.00 177.10 173.80 1ayp s SER 71 N -2.85 1.80 1.94 3.54 0.15 0.37 -4.98 113.70 113.67 1ayp s SER 71 Ca 0.06 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1ayp s SER 71 Cb 0.03 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1ayp s SER 71 CO -0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1ayp n GLY 72 N 5.11 4.10 0.01 9.45 0.00 -1.26 -0.23 105.19 122.37 1ayp n GLY 72 Ca -0.08 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ayp n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ayp n SER 73 N 7.51 0.70 -4.65 1.61 3.41 -1.26 -4.87 113.62 116.07 1ayp n SER 73 Ca 0.00 -0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 57.69 1ayp n SER 73 Cb 0.00 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1ayp n SER 73 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ayp s ARG 74 N -3.05 4.01 0.02 4.33 3.52 0.68 -4.82 118.95 123.63 1ayp s ARG 74 Ca 0.08 1.97 0.01 0.00 -0.13 0.00 0.00 55.73 57.66 1ayp s ARG 74 Cb 0.16 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1ayp s ARG 74 CO 0.79 -1.04 0.07 0.42 -0.81 0.00 0.00 175.30 174.72 1ayp s ILE 75 N 4.58 4.60 -0.01 4.11 1.09 -1.26 -0.48 121.20 133.83 1ayp s ILE 75 Ca 0.73 -0.53 0.06 0.00 -1.10 0.00 0.00 60.65 59.81 1ayp s ILE 75 Cb -0.30 -3.12 -0.02 0.00 -1.06 0.00 0.00 42.46 37.96 1ayp s ILE 75 CO 0.29 0.30 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.34 1ayp s THR 76 N -1.23 1.52 0.12 2.92 2.01 0.83 -4.96 115.64 116.86 1ayp s THR 76 Ca 0.24 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 1ayp s THR 76 Cb -0.12 -1.28 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 1ayp s THR 76 CO 0.15 0.40 0.43 0.00 -0.69 0.00 0.00 174.62 174.91 1ayp s ALA 78 N -1.53 2.73 -0.13 0.00 0.00 0.79 -4.93 121.76 118.69 1ayp s ALA 78 Ca 0.38 -0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 1ayp s ALA 78 Cb -0.13 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1ayp s ALA 78 CO 0.20 -1.29 0.89 0.15 0.00 0.00 0.00 175.76 175.71 1ayp s LYS 79 N -5.31 4.36 0.26 0.00 -0.14 -1.26 -4.86 119.74 112.79 1ayp s LYS 79 Ca 0.59 1.15 -0.01 0.00 -1.36 0.00 0.00 55.97 56.34 1ayp s LYS 79 Cb -0.12 -3.55 0.01 0.00 -1.68 0.00 0.00 37.83 32.49 1ayp s LYS 79 CO 0.52 -0.29 0.36 1.04 -0.76 0.00 0.00 175.35 176.22 1ayp n GLN 80 N 5.01 0.51 -0.77 1.68 6.02 -1.26 -5.06 117.38 123.52 1ayp n GLN 80 Ca 0.06 -2.08 -0.28 0.00 -0.01 0.00 0.00 57.00 54.68 1ayp n GLN 80 Cb 0.49 2.00 0.23 0.00 1.02 0.00 0.00 30.24 33.98 1ayp n GLN 80 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1ayp s ASP 81 N -2.61 1.45 0.13 1.08 -4.77 -1.26 -4.57 116.67 106.11 1ayp s ASP 81 Ca 0.22 1.36 -0.19 0.00 -3.30 0.00 0.00 52.55 50.64 1ayp s ASP 81 Cb -0.01 -2.11 -0.05 0.00 -1.09 0.00 0.00 42.92 39.66 1ayp s ASP 81 CO 0.16 -3.89 1.78 0.77 0.70 0.00 0.00 175.17 174.68 1ayp h SER 82 N -2.41 0.23 -0.03 2.11 4.64 -2.02 0.10 113.55 116.17 1ayp h SER 82 Ca -0.60 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.74 1ayp h SER 82 Cb 1.34 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1ayp h SER 82 CO 0.53 0.17 -0.08 0.00 -0.87 0.00 0.00 176.83 176.58 1ayp h ARG 84 N -0.13 1.01 0.06 0.00 3.08 -1.88 0.20 114.38 116.72 1ayp h ARG 84 Ca 0.04 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1ayp h ARG 84 Cb 0.19 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ayp h ARG 84 CO -0.11 0.96 -0.05 0.77 -1.07 0.00 0.00 179.97 180.48 1ayp h SER 85 N 0.91 -0.14 0.58 7.04 0.02 -0.60 -2.36 113.55 119.00 1ayp h SER 85 Ca 0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1ayp h SER 85 Cb 0.46 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ayp h SER 85 CO 0.02 -0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 1ayp n GLN 86 N -2.54 0.04 -0.02 3.45 10.64 0.15 -2.03 117.38 127.06 1ayp n GLN 86 Ca -0.01 0.27 -0.16 0.00 -1.83 0.00 0.00 57.00 55.26 1ayp n GLN 86 Cb 0.05 -1.57 -0.09 0.00 -0.86 0.00 0.00 30.24 27.77 1ayp n GLN 86 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1ayp h LEU 87 N 0.00 0.63 -0.58 2.61 5.85 -0.50 -0.12 115.31 123.20 1ayp h LEU 87 Ca 0.00 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 1ayp h LEU 87 Cb 0.29 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1ayp h LEU 87 CO 0.00 1.19 0.30 0.00 -0.34 0.00 0.00 178.44 179.59 1ayp h GLU 89 N 0.78 0.29 -0.54 0.00 4.39 -1.38 0.25 114.58 118.37 1ayp h GLU 89 Ca 0.20 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ayp h GLU 89 Cb 0.08 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1ayp h GLU 89 CO -0.03 0.50 0.36 0.00 -1.16 0.00 0.00 179.01 178.68 1ayp h ASP 91 N 0.71 0.33 0.40 0.00 5.19 -0.61 -2.85 116.42 119.60 1ayp h ASP 91 Ca 0.20 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 1ayp h ASP 91 Cb -0.05 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 1ayp h ASP 91 CO -0.05 1.27 -0.23 0.50 -3.12 0.00 0.00 179.24 177.62 1ayp h LYS 92 N 0.06 -0.57 -1.00 3.56 3.64 -0.07 -1.09 116.57 121.09 1ayp h LYS 92 Ca -0.10 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1ayp h LYS 92 Cb 1.92 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.81 1ayp h LYS 92 CO 0.19 -0.38 0.66 0.00 -2.27 0.00 0.00 179.45 177.64 1ayp h ALA 93 N -0.01 1.35 -0.21 5.00 0.00 -1.61 0.30 119.26 124.09 1ayp h ALA 93 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ayp h ALA 93 Cb 0.47 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ayp h ALA 93 CO 0.06 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.96 1ayp h ALA 94 N 1.42 0.25 0.00 0.00 0.00 -1.14 -0.45 119.26 119.34 1ayp h ALA 94 Ca 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1ayp h ALA 94 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ayp h ALA 94 CO -0.13 -0.30 -0.34 0.00 0.00 0.00 0.00 179.25 178.48 1ayp h ALA 95 N 1.10 1.42 -0.01 0.00 0.00 -0.26 0.79 119.26 122.30 1ayp h ALA 95 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ayp h ALA 95 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ayp h ALA 95 CO -0.05 0.42 -0.17 1.15 0.00 0.00 0.00 179.25 180.60 1ayp h THR 96 N 0.00 1.55 -0.29 0.00 2.02 -0.61 -2.61 112.91 112.96 1ayp h THR 96 Ca -0.00 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 65.26 1ayp h THR 96 Cb 0.60 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.71 1ayp h THR 96 CO 0.04 0.50 -0.11 0.00 0.37 0.00 0.00 175.52 176.32 1ayp h PHE 98 N 0.46 0.83 -0.12 0.00 0.04 -0.91 -1.91 116.94 115.32 1ayp h PHE 98 Ca 0.09 -0.17 -0.19 0.00 2.80 0.00 0.00 57.97 60.49 1ayp h PHE 98 Cb 0.47 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1ayp h PHE 98 CO 0.02 0.87 -0.71 0.00 -0.60 0.00 0.00 178.31 177.88 1ayp h ALA 99 N 1.14 0.52 -0.43 2.45 0.00 -0.60 -2.85 119.26 119.49 1ayp h ALA 99 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1ayp h ALA 99 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ayp h ALA 99 CO 0.05 0.72 -0.04 0.00 0.00 0.00 0.00 179.25 179.98 1ayp h ARG 100 N 0.39 0.79 -0.77 0.00 2.47 -0.79 -2.26 114.38 114.22 1ayp h ARG 100 Ca -0.03 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1ayp h ARG 100 Cb 1.30 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1ayp h ARG 100 CO 0.13 0.88 0.00 0.09 0.56 0.00 0.00 179.97 181.63 1ayp n ASN 101 N -4.36 2.63 0.28 7.04 3.02 -0.74 -4.33 115.26 118.79 1ayp n ASN 101 Ca -0.00 -2.31 0.13 0.00 -0.03 0.00 0.00 54.58 52.37 1ayp n ASN 101 Cb 0.33 -0.52 0.82 0.00 -0.61 0.00 0.00 39.78 39.80 1ayp n ASN 101 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ayp h LYS 102 N 1.53 0.00 0.00 3.52 3.64 -1.16 -1.03 116.57 123.08 1ayp h LYS 102 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ayp h LYS 102 Cb 0.97 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1ayp h LYS 102 CO 0.16 0.00 -0.12 1.79 -2.27 0.00 0.00 179.45 179.02 1ayp h THR 103 N 0.00 0.35 0.00 1.00 1.35 -1.83 -2.23 112.91 111.55 1ayp h THR 103 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1ayp h THR 103 Cb 0.00 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1ayp h THR 103 CO 0.00 0.11 -0.66 0.41 -0.25 0.00 0.00 175.52 175.13 1ayp n THR 104 N -3.34 0.11 -1.66 6.82 -1.04 -0.40 -4.98 114.28 109.79 1ayp n THR 104 Ca -0.00 -0.11 -0.46 0.00 -2.04 0.00 0.00 64.05 61.44 1ayp n THR 104 Cb 0.32 0.20 -0.03 0.00 -1.82 0.00 0.00 70.33 69.00 1ayp n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ayp n TYR 105 N -1.73 2.16 -3.62 -1.42 9.36 -0.84 -4.89 117.16 116.19 1ayp n TYR 105 Ca 0.04 0.38 -0.25 0.00 3.32 0.00 0.00 57.90 61.39 1ayp n TYR 105 Cb 0.38 -2.48 -0.17 0.00 -0.63 0.00 0.00 39.34 36.43 1ayp n TYR 105 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ayp s ASN 106 N 0.55 2.11 0.56 2.98 2.47 -1.26 -5.04 114.94 117.31 1ayp s ASN 106 Ca 0.74 -0.48 0.24 0.00 0.42 0.00 0.00 52.86 53.77 1ayp s ASN 106 Cb -0.68 -0.21 1.57 0.00 -1.45 0.00 0.00 41.25 40.49 1ayp s ASN 106 CO 0.45 -0.33 2.19 0.11 -3.72 0.00 0.00 177.10 175.80 1ayp h LYS 107 N 8.42 0.00 -0.76 0.43 1.57 -1.99 0.63 116.57 124.87 1ayp h LYS 107 Ca -0.15 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.81 1ayp h LYS 107 Cb 1.14 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 1ayp h LYS 107 CO 0.27 0.00 0.11 -0.22 -0.57 0.00 0.00 179.45 179.04 1ayp h LYS 108 N 0.00 0.18 0.00 3.15 3.11 -2.01 -1.63 116.57 119.37 1ayp h LYS 108 Ca 0.02 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1ayp h LYS 108 Cb 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1ayp h LYS 108 CO -0.00 0.12 -0.36 1.88 -2.81 0.00 0.00 179.45 178.28 1ayp h TYR 109 N 0.18 0.00 -0.89 1.91 0.05 -1.30 -3.36 116.97 113.57 1ayp h TYR 109 Ca 0.43 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.44 1ayp h TYR 109 Cb 0.78 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.39 1ayp h TYR 109 CO -0.33 0.00 0.35 0.37 -1.05 0.00 0.00 178.16 177.50 1ayp h GLN 110 N 0.00 0.33 -0.31 4.88 4.15 -1.05 0.23 115.11 123.33 1ayp h GLN 110 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1ayp h GLN 110 Cb 0.94 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1ayp h GLN 110 CO 0.00 0.22 0.01 0.66 -1.93 0.00 0.00 178.83 177.79 1ayp n TYR 111 N -5.10 1.07 -1.57 3.99 4.01 -1.26 -1.41 117.16 116.91 1ayp n TYR 111 Ca 0.22 -1.05 -0.42 0.00 -0.16 0.00 0.00 57.90 56.48 1ayp n TYR 111 Cb 0.67 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 1ayp n TYR 111 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1ayp n TYR 112 N -0.63 1.80 -1.69 -0.72 9.36 0.45 -4.88 117.16 120.84 1ayp n TYR 112 Ca 0.25 -0.03 -0.44 0.00 3.32 0.00 0.00 57.90 61.01 1ayp n TYR 112 Cb 0.96 -2.68 -0.04 0.00 -0.63 0.00 0.00 39.34 36.95 1ayp n TYR 112 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1ayp n SER 113 N 12.37 3.60 -0.01 2.98 2.88 -1.26 -4.46 113.62 129.71 1ayp n SER 113 Ca 0.33 1.06 0.15 0.00 -1.33 0.00 0.00 58.87 59.08 1ayp n SER 113 Cb 0.44 -1.50 0.74 0.00 -0.75 0.00 0.00 64.21 63.13 1ayp n SER 113 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ayp n ASN 114 N 3.95 0.06 0.10 -3.46 4.13 -1.26 -1.47 115.26 117.31 1ayp n ASN 114 Ca 0.17 -0.20 0.06 0.00 1.68 0.00 0.00 54.58 56.29 1ayp n ASN 114 Cb 0.32 -0.25 0.34 0.00 -1.54 0.00 0.00 39.78 38.65 1ayp n ASN 114 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ayp n LYS 115 N -1.25 0.08 -0.47 3.52 5.02 -1.26 -2.11 118.16 121.70 1ayp n LYS 115 Ca 0.14 0.56 0.08 0.00 -2.02 0.00 0.00 58.31 57.08 1ayp n LYS 115 Cb 0.25 -1.82 0.27 0.00 -0.02 0.00 0.00 35.03 33.70 1ayp n LYS 115 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ayp n HIS 116 N -1.93 1.03 -3.27 2.13 8.25 -0.54 -4.98 115.22 115.91 1ayp n HIS 116 Ca -0.01 -0.81 -0.44 0.00 -0.26 0.00 0.00 57.72 56.20 1ayp n HIS 116 Cb 0.07 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 1ayp n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ayp s ARG 118 N 2.18 4.54 0.00 0.00 6.06 -1.26 -3.92 118.95 126.55 1ayp s ARG 118 Ca 0.10 1.41 0.00 0.00 -2.50 0.00 0.00 55.73 54.75 1ayp s ARG 118 Cb -0.21 -3.47 0.00 0.00 0.06 0.00 0.00 34.95 31.33 1ayp s ARG 118 CO 0.10 -0.09 0.00 0.41 -2.50 0.00 0.00 175.30 173.22 1ayp n GLY 119 N 2.93 -0.54 3.58 8.12 0.00 -1.26 -2.03 105.19 115.98 1ayp n GLY 119 Ca 0.06 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1ayp n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ayp s SER 120 N -4.00 5.82 0.07 1.61 1.04 -1.26 -4.21 113.70 112.75 1ayp s SER 120 Ca 0.00 0.62 -0.30 0.00 0.48 0.00 0.00 55.95 56.75 1ayp s SER 120 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1ayp s SER 120 CO 0.00 -1.89 1.16 -0.89 0.98 0.00 0.00 173.24 172.60 1ayp s THR 121 N 7.17 4.13 0.01 2.02 2.01 -1.22 -2.92 115.64 126.85 1ayp s THR 121 Ca 0.65 1.56 -0.08 0.00 0.31 0.00 0.00 61.69 64.13 1ayp s THR 121 Cb -0.15 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1ayp s THR 121 CO 0.27 0.14 1.08 -0.65 -0.69 0.00 0.00 174.62 174.76 1ayp h PRO 122 N 6.61 -0.28 -3.86 4.92 0.11 -1.94 -3.48 132.00 134.08 1ayp h PRO 122 Ca -0.42 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ayp h PRO 122 Cb 1.21 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ayp h PRO 122 CO 0.79 -0.19 -0.96 -2.13 -0.21 0.00 0.00 178.00 175.31 1ayp n ARG 123 N -2.81 -4.37 0.00 1.05 0.00 -1.26 -5.19 116.66 104.07 1ayp n ARG 123 Ca -0.04 3.33 0.04 0.00 -0.00 0.00 0.00 57.85 61.19 1ayp n ARG 123 Cb 0.11 -4.00 0.04 0.00 0.00 0.00 0.00 32.46 28.61 1ayp n ARG 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63