#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5x s VAL 2 N 0.00 3.41 0.53 3.15 1.01 -1.26 -1.59 120.40 125.65 1b5x s VAL 2 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1b5x s VAL 2 Cb 0.00 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 1b5x s VAL 2 CO 0.00 0.22 1.04 -0.36 0.00 0.00 0.00 175.10 176.00 1b5x s PHE 3 N 1.43 3.05 0.19 5.22 0.40 -0.65 -5.02 117.98 122.60 1b5x s PHE 3 Ca 0.03 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 57.78 1b5x s PHE 3 Cb -0.16 -3.01 -0.07 0.00 0.51 0.00 0.00 43.02 40.29 1b5x s PHE 3 CO -0.02 -0.87 0.55 -1.21 0.70 0.00 0.00 175.22 174.38 1b5x s GLU 4 N -3.63 3.90 0.00 0.44 2.02 -1.26 -4.87 118.70 115.29 1b5x s GLU 4 Ca 0.65 0.40 0.00 0.00 0.02 0.00 0.00 54.97 56.04 1b5x s GLU 4 Cb -0.15 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1b5x s GLU 4 CO 0.27 0.40 0.93 -2.13 0.02 0.00 0.00 175.26 174.76 1b5x n ARG 5 N 0.37 0.00 0.19 1.61 0.63 -1.26 -1.77 116.66 116.43 1b5x n ARG 5 Ca -0.03 0.93 0.07 0.00 -0.92 0.00 0.00 57.85 57.91 1b5x n ARG 5 Cb 0.52 -1.41 0.59 0.00 0.45 0.00 0.00 32.46 32.60 1b5x n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b5x h GLU 7 N 0.14 0.35 -0.43 0.00 4.81 -1.83 -1.76 114.58 115.86 1b5x h GLU 7 Ca 0.04 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1b5x h GLU 7 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1b5x h GLU 7 CO -0.01 0.24 -0.07 1.25 -0.73 0.00 0.00 179.01 179.69 1b5x h LEU 8 N 0.35 0.81 -0.37 1.64 5.85 -0.54 -1.29 115.31 121.75 1b5x h LEU 8 Ca 0.10 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.54 1b5x h LEU 8 Cb -0.03 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 1b5x h LEU 8 CO -0.02 0.96 -0.06 0.00 -0.34 0.00 0.00 178.44 178.98 1b5x h ALA 9 N 0.87 0.27 -0.16 1.25 0.00 -0.92 0.12 119.26 120.70 1b5x h ALA 9 Ca 0.11 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1b5x h ALA 9 Cb 0.59 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1b5x h ALA 9 CO 0.04 -0.44 -0.44 0.00 0.00 0.00 0.00 179.25 178.40 1b5x h ARG 10 N 0.03 0.40 -0.34 0.00 3.08 -1.27 -1.66 114.38 114.60 1b5x h ARG 10 Ca 0.18 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1b5x h ARG 10 Cb 0.27 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1b5x h ARG 10 CO -0.36 0.77 0.14 1.15 -1.07 0.00 0.00 179.97 180.60 1b5x h THR 11 N 0.32 1.19 -0.63 2.04 2.02 -0.42 -1.08 112.91 116.35 1b5x h THR 11 Ca 0.02 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 1b5x h THR 11 Cb 0.91 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1b5x h THR 11 CO 0.08 0.20 0.05 -0.07 0.37 0.00 0.00 175.52 176.15 1b5x h LEU 12 N 0.41 1.03 -0.33 2.58 3.38 -0.70 -2.74 115.31 118.94 1b5x h LEU 12 Ca 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1b5x h LEU 12 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1b5x h LEU 12 CO -0.01 1.05 0.13 0.50 0.09 0.00 0.00 178.44 180.20 1b5x h LYS 13 N 0.99 0.49 0.00 1.13 3.64 -1.09 -2.42 116.57 119.31 1b5x h LYS 13 Ca 0.19 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1b5x h LYS 13 Cb 0.49 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1b5x h LYS 13 CO 0.02 0.50 0.00 0.00 -2.27 0.00 0.00 179.45 177.70 1b5x h ARG 14 N 0.38 0.00 -0.45 1.90 3.08 -1.05 -1.30 114.38 116.95 1b5x h ARG 14 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1b5x h ARG 14 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1b5x h ARG 14 CO -0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 1b5x n LEU 15 N -3.08 2.43 -0.75 3.04 4.77 -0.95 -4.93 117.00 117.53 1b5x n LEU 15 Ca -0.02 -1.21 -0.06 0.00 -0.03 0.00 0.00 56.01 54.69 1b5x n LEU 15 Cb 0.13 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1b5x n LEU 15 CO 0.22 0.60 -0.06 0.61 -1.33 0.00 0.00 177.39 177.43 1b5x n GLY 16 N 1.23 0.17 0.12 -0.72 0.00 -0.49 -4.97 105.19 100.52 1b5x n GLY 16 Ca 0.15 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.66 1b5x n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1b5x h MET 17 N -0.08 0.00 -5.97 1.61 -1.53 -1.61 -3.40 114.93 103.95 1b5x h MET 17 Ca -0.14 0.00 -0.49 0.00 -3.44 0.00 0.00 59.70 55.63 1b5x h MET 17 Cb 1.10 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 32.12 1b5x h MET 17 CO 0.17 0.03 1.31 0.34 0.14 0.00 0.00 176.91 178.90 1b5x s ASP 18 N -5.45 5.28 0.00 1.39 2.15 -1.26 -2.36 116.67 116.41 1b5x s ASP 18 Ca -0.00 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1b5x s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1b5x s ASP 18 CO 0.79 -2.39 0.00 0.61 -0.17 0.00 0.00 175.17 174.01 1b5x n GLY 19 N 5.77 0.80 3.66 2.66 0.00 0.28 -4.87 105.19 113.48 1b5x n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1b5x n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b5x s TYR 20 N -2.14 1.52 -1.42 1.61 6.14 -1.00 -0.83 117.35 121.24 1b5x s TYR 20 Ca 0.00 -0.26 -0.08 0.00 0.64 0.00 0.00 57.07 57.37 1b5x s TYR 20 Cb 0.00 -4.15 0.05 0.00 0.42 0.00 0.00 41.96 38.27 1b5x s TYR 20 CO 0.00 -5.07 0.63 0.54 0.64 0.00 0.00 175.55 172.29 1b5x n ARG 21 N 7.30 -4.42 -0.95 4.97 5.12 -1.26 -2.07 116.66 125.35 1b5x n ARG 21 Ca 0.19 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 1b5x n ARG 21 Cb 0.41 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.24 1b5x n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b5x n GLY 22 N -1.41 0.61 3.55 -0.13 0.00 -0.01 -5.00 105.19 102.79 1b5x n GLY 22 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1b5x n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b5x s ILE 23 N -2.62 4.94 0.81 -0.61 1.01 -0.88 -4.87 121.20 118.97 1b5x s ILE 23 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.84 1b5x s ILE 23 Cb 0.00 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.50 1b5x s ILE 23 CO 0.00 -0.34 1.14 -0.94 0.00 0.00 0.00 174.94 174.80 1b5x s SER 24 N 1.83 3.87 0.25 3.58 1.04 -1.26 -0.55 113.70 122.46 1b5x s SER 24 Ca 0.21 2.12 -0.04 0.00 0.48 0.00 0.00 55.95 58.71 1b5x s SER 24 Cb -0.15 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.77 1b5x s SER 24 CO 0.15 -2.47 1.87 0.25 0.98 0.00 0.00 173.24 174.02 1b5x h LEU 25 N -1.10 0.93 -1.14 2.42 5.85 -1.90 -1.88 115.31 118.50 1b5x h LEU 25 Ca -0.45 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1b5x h LEU 25 Cb 1.26 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 1b5x h LEU 25 CO 0.47 0.59 0.60 0.00 -0.34 0.00 0.00 178.44 179.77 1b5x h ALA 26 N 1.43 1.57 -0.38 1.25 0.00 -1.91 0.28 119.26 121.50 1b5x h ALA 26 Ca 0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1b5x h ALA 26 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1b5x h ALA 26 CO -0.17 0.24 0.04 -0.91 0.00 0.00 0.00 179.25 178.45 1b5x h ASN 27 N 0.96 0.63 -0.71 0.00 2.35 -1.64 -0.81 115.58 116.36 1b5x h ASN 27 Ca 0.43 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1b5x h ASN 27 Cb 0.37 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1b5x h ASN 27 CO -0.19 0.75 0.36 -0.50 -1.65 0.00 0.00 177.43 176.20 1b5x h TRP 28 N 0.48 1.01 -0.63 1.19 4.06 -1.07 -0.34 115.95 120.66 1b5x h TRP 28 Ca 0.11 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1b5x h TRP 28 Cb 0.41 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 1b5x h TRP 28 CO 0.03 0.74 0.40 0.52 -3.56 0.00 0.00 178.44 176.57 1b5x h MET 29 N 0.99 0.85 -0.55 0.49 2.86 -0.79 -1.32 114.93 117.46 1b5x h MET 29 Ca 0.25 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1b5x h MET 29 Cb 0.09 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1b5x h MET 29 CO -0.03 0.59 -0.04 0.00 1.06 0.00 0.00 176.91 178.48 1b5x h LEU 31 N 0.89 -0.47 -0.87 0.00 5.85 -0.74 -2.36 115.31 117.61 1b5x h LEU 31 Ca 0.16 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1b5x h LEU 31 Cb 0.58 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1b5x h LEU 31 CO 0.03 -0.27 0.53 0.00 -0.34 0.00 0.00 178.44 178.40 1b5x h ALA 32 N -0.09 1.21 0.15 1.25 0.00 -1.18 0.07 119.26 120.67 1b5x h ALA 32 Ca -0.06 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1b5x h ALA 32 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1b5x h ALA 32 CO 0.09 0.23 -0.16 -0.22 0.00 0.00 0.00 179.25 179.19 1b5x h LYS 33 N 0.93 -0.33 0.00 0.00 3.11 -1.28 -1.30 116.57 117.70 1b5x h LYS 33 Ca 0.39 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1b5x h LYS 33 Cb 0.25 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1b5x h LYS 33 CO -0.20 -0.22 0.00 -1.49 -2.81 0.00 0.00 179.45 174.73 1b5x h TRP 34 N -0.34 0.00 0.15 1.91 4.06 -0.88 0.12 115.95 120.97 1b5x h TRP 34 Ca 0.01 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.66 1b5x h TRP 34 Cb 0.33 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1b5x h TRP 34 CO -0.14 0.00 -1.48 0.93 -3.56 0.00 0.00 178.44 174.19 1b5x h GLU 35 N 0.00 0.33 0.00 0.49 4.39 -0.87 -3.44 114.58 115.48 1b5x h GLU 35 Ca 0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1b5x h GLU 35 Cb 0.81 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1b5x h GLU 35 CO 0.00 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1b5x n SER 36 N -3.81 0.03 -1.27 1.42 3.41 -0.54 -4.79 113.62 108.06 1b5x n SER 36 Ca -0.23 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 57.67 1b5x n SER 36 Cb 0.97 0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.93 1b5x n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b5x n GLY 37 N 0.02 -0.09 2.22 5.00 0.00 0.03 -2.53 105.19 109.84 1b5x n GLY 37 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1b5x n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b5x n TYR 38 N -4.00 -0.30 -3.59 1.61 4.01 -1.16 -4.78 117.16 108.94 1b5x n TYR 38 Ca -0.13 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.21 1b5x n TYR 38 Cb 0.60 -2.22 -0.11 0.00 -0.31 0.00 0.00 39.34 37.30 1b5x n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1b5x s ASN 39 N -2.68 5.78 0.34 7.72 2.47 -1.05 -1.63 114.94 125.89 1b5x s ASN 39 Ca 0.00 -0.63 0.26 0.00 0.42 0.00 0.00 52.86 52.91 1b5x s ASN 39 Cb 0.00 -2.06 1.16 0.00 -1.45 0.00 0.00 41.25 38.90 1b5x s ASN 39 CO 0.00 -0.27 1.79 0.71 -3.72 0.00 0.00 177.10 175.61 1b5x h THR 40 N 5.66 0.00 -0.28 -5.21 1.35 -1.62 -2.98 112.91 109.83 1b5x h THR 40 Ca -0.30 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1b5x h THR 40 Cb 1.14 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1b5x h THR 40 CO 0.64 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.80 1b5x n ARG 41 N -2.44 3.05 -2.36 4.72 -4.01 -1.26 -4.17 116.66 110.19 1b5x n ARG 41 Ca 0.01 -2.85 -0.41 0.00 -1.04 0.00 0.00 57.85 53.55 1b5x n ARG 41 Cb 0.20 -1.87 -0.03 0.00 -3.04 0.00 0.00 32.46 27.73 1b5x n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b5x s ALA 42 N -2.79 3.45 0.05 2.89 0.00 -1.13 -4.81 121.76 119.41 1b5x s ALA 42 Ca 0.43 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1b5x s ALA 42 Cb 0.34 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1b5x s ALA 42 CO 0.09 -0.40 -0.07 0.95 0.00 0.00 0.00 175.76 176.34 1b5x s THR 43 N 0.10 0.51 -0.10 0.00 -4.23 -1.26 -0.24 115.64 110.40 1b5x s THR 43 Ca 0.54 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1b5x s THR 43 Cb -0.33 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 72.72 1b5x s THR 43 CO 0.36 -0.53 0.22 0.21 -0.54 0.00 0.00 174.62 174.33 1b5x s ASN 44 N -1.94 0.36 -0.06 3.99 2.47 -0.49 -4.96 114.94 114.30 1b5x s ASN 44 Ca -0.05 0.47 -0.16 0.00 0.42 0.00 0.00 52.86 53.54 1b5x s ASN 44 Cb -0.06 0.47 -0.05 0.00 -1.45 0.00 0.00 41.25 40.16 1b5x s ASN 44 CO -0.01 -0.22 0.42 -0.47 -3.72 0.00 0.00 177.10 173.10 1b5x s TYR 45 N 2.10 3.62 -0.46 0.43 5.04 -1.26 -0.64 117.35 126.18 1b5x s TYR 45 Ca -0.01 0.92 -0.07 0.00 -2.44 0.00 0.00 57.07 55.47 1b5x s TYR 45 Cb -0.12 -2.40 0.12 0.00 0.35 0.00 0.00 41.96 39.91 1b5x s TYR 45 CO -0.07 0.42 0.31 -0.80 -1.34 0.00 0.00 175.55 174.07 1b5x s ASN 46 N -0.27 5.57 0.49 4.32 0.01 -0.14 -4.96 114.94 119.95 1b5x s ASN 46 Ca 0.24 -2.00 0.14 0.00 -0.71 0.00 0.00 52.86 50.53 1b5x s ASN 46 Cb -0.16 -1.95 1.15 0.00 0.41 0.00 0.00 41.25 40.69 1b5x s ASN 46 CO 0.11 -0.64 2.10 0.00 -1.51 0.00 0.00 177.10 177.16 1b5x h ALA 47 N 8.27 1.88 0.75 0.60 0.00 -1.96 -1.10 119.26 127.70 1b5x h ALA 47 Ca -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1b5x h ALA 47 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1b5x h ALA 47 CO 0.81 0.09 -0.42 0.78 0.00 0.00 0.00 179.25 180.51 1b5x h GLY 48 N 0.21 -1.16 -2.17 0.00 0.00 -1.95 -3.25 103.07 94.74 1b5x h GLY 48 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1b5x h GLY 48 CO 0.00 -0.41 0.00 2.09 0.00 0.00 0.00 176.54 178.22 1b5x n ASP 49 N -5.57 3.93 -3.23 0.19 5.75 -1.22 -4.98 116.55 111.41 1b5x n ASP 49 Ca -0.14 -2.37 -0.23 0.00 -0.01 0.00 0.00 54.79 52.04 1b5x n ASP 49 Cb 0.45 -0.45 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1b5x n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b5x n ARG 50 N 0.67 -4.15 -3.97 0.11 1.74 -0.43 -4.69 116.66 105.95 1b5x n ARG 50 Ca 0.20 0.67 -0.27 0.00 -0.77 0.00 0.00 57.85 57.68 1b5x n ARG 50 Cb 0.71 -5.45 -0.01 0.00 -1.02 0.00 0.00 32.46 26.69 1b5x n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b5x s SER 51 N -2.73 4.58 -0.00 0.55 1.04 -1.13 -4.19 113.70 111.82 1b5x s SER 51 Ca 0.37 -1.27 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 1b5x s SER 51 Cb -0.18 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1b5x s SER 51 CO 0.45 -1.06 0.21 -0.89 0.98 0.00 0.00 173.24 172.94 1b5x s THR 52 N -2.77 0.08 -0.11 2.02 2.01 -1.26 -0.97 115.64 114.63 1b5x s THR 52 Ca 0.32 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1b5x s THR 52 Cb -0.02 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1b5x s THR 52 CO 0.20 -0.34 0.01 -1.81 -0.69 0.00 0.00 174.62 171.99 1b5x s ASP 53 N -1.43 5.28 -0.01 3.53 1.01 0.19 -0.88 116.67 124.35 1b5x s ASP 53 Ca -0.13 0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.28 1b5x s ASP 53 Cb -0.06 -1.63 -0.01 0.00 1.01 0.00 0.00 42.92 42.22 1b5x s ASP 53 CO 0.02 0.31 -0.17 -0.31 0.21 0.00 0.00 175.17 175.24 1b5x s TYR 54 N -0.47 1.48 0.00 4.23 1.51 -0.12 -1.40 117.35 122.57 1b5x s TYR 54 Ca 0.09 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1b5x s TYR 54 Cb -0.12 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1b5x s TYR 54 CO 0.02 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1b5x n GLY 55 N 2.67 -2.11 0.27 0.71 0.00 0.66 -1.82 105.19 105.57 1b5x n GLY 55 Ca -0.15 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.51 1b5x n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5x h ILE 56 N 0.00 0.90 -0.29 -0.61 2.10 -1.71 -1.08 117.51 116.82 1b5x h ILE 56 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1b5x h ILE 56 Cb 0.00 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1b5x h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1b5x n PHE 57 N -4.38 0.37 -3.89 2.19 3.72 -1.26 -3.89 117.46 110.32 1b5x n PHE 57 Ca -0.03 -0.27 -0.39 0.00 -0.05 0.00 0.00 57.45 56.72 1b5x n PHE 57 Cb 0.09 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1b5x n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b5x n GLN 58 N 0.98 -0.81 -2.80 -1.08 1.13 -0.41 -4.91 117.38 109.47 1b5x n GLN 58 Ca 0.14 0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 55.05 1b5x n GLN 58 Cb 0.47 -3.37 -0.04 0.00 0.11 0.00 0.00 30.24 27.41 1b5x n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b5x s ILE 59 N -3.53 4.79 0.17 5.09 1.01 -0.76 -4.43 121.20 123.55 1b5x s ILE 59 Ca 0.46 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.73 1b5x s ILE 59 Cb -0.21 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1b5x s ILE 59 CO 0.92 0.24 0.96 0.21 0.00 0.00 0.00 174.94 177.27 1b5x s ASN 60 N 0.60 7.55 0.05 3.58 3.84 -1.26 -0.95 114.94 128.35 1b5x s ASN 60 Ca 0.47 1.88 0.21 0.00 0.21 0.00 0.00 52.86 55.63 1b5x s ASN 60 Cb -0.21 -2.60 0.85 0.00 -0.55 0.00 0.00 41.25 38.75 1b5x s ASN 60 CO 0.26 0.02 1.65 -1.54 -2.79 0.00 0.00 177.10 174.70 1b5x n SER 61 N 2.19 0.15 0.07 -4.21 3.41 -0.06 -1.95 113.62 113.22 1b5x n SER 61 Ca 0.00 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.10 1b5x n SER 61 Cb 0.48 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 64.02 1b5x n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b5x h ARG 62 N 0.00 0.31 0.00 4.33 2.43 -1.84 -3.40 114.38 116.21 1b5x h ARG 62 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1b5x h ARG 62 Cb 0.37 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1b5x h ARG 62 CO 0.00 0.73 -0.83 0.66 -1.51 0.00 0.00 179.97 179.02 1b5x n TYR 63 N -3.97 0.00 -0.09 2.20 4.01 -1.19 -0.03 117.16 118.09 1b5x n TYR 63 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1b5x n TYR 63 Cb 0.54 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.41 1b5x n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1b5x n TRP 64 N -1.71 0.00 -4.07 -0.72 7.02 -0.82 -0.70 117.44 116.44 1b5x n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1b5x n TRP 64 Cb 0.38 -0.96 -0.09 0.00 -2.42 0.00 0.00 31.31 28.23 1b5x n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b5x s ASN 66 N -3.01 5.10 0.00 0.00 2.47 -0.16 -4.59 114.94 114.75 1b5x s ASN 66 Ca 0.20 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.33 1b5x s ASN 66 Cb 0.06 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 1b5x s ASN 66 CO 0.00 0.04 0.89 -0.90 -3.72 0.00 0.00 177.10 173.42 1b5x n ASP 67 N 4.40 1.68 0.00 -4.21 5.68 -1.26 -1.48 116.55 121.35 1b5x n ASP 67 Ca -0.17 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1b5x n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1b5x n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b5x n GLY 68 N -0.40 0.01 0.14 6.12 0.00 -1.26 -4.73 105.19 105.06 1b5x n GLY 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1b5x n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b5x n LYS 69 N -0.88 1.05 -3.62 1.61 2.85 -1.26 -4.99 118.16 112.92 1b5x n LYS 69 Ca 0.00 -1.35 -0.40 0.00 -1.05 0.00 0.00 58.31 55.51 1b5x n LYS 69 Cb 0.19 -0.85 -0.11 0.00 -0.65 0.00 0.00 35.03 33.60 1b5x n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b5x s THR 70 N -0.91 4.42 -0.07 0.58 2.01 -1.26 -4.89 115.64 115.53 1b5x s THR 70 Ca 0.07 -0.98 -0.37 0.00 0.31 0.00 0.00 61.69 60.72 1b5x s THR 70 Cb 0.06 -3.51 -0.15 0.00 0.01 0.00 0.00 72.50 68.92 1b5x s THR 70 CO 0.01 -0.27 1.65 -2.65 -0.69 0.00 0.00 174.62 172.66 1b5x n PRO 71 N 4.96 1.57 -2.22 4.92 -0.02 -1.26 -2.44 135.00 140.51 1b5x n PRO 71 Ca -0.12 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 1b5x n PRO 71 Cb 0.45 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1b5x n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b5x n GLY 72 N 3.69 -0.05 3.90 -1.23 0.00 -1.26 -5.00 105.19 105.24 1b5x n GLY 72 Ca 0.22 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1b5x n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5x s ALA 73 N -2.88 3.17 0.53 4.61 0.00 -1.02 -5.05 121.76 121.12 1b5x s ALA 73 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1b5x s ALA 73 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.33 1b5x s ALA 73 CO 0.00 -0.81 0.07 0.14 0.00 0.00 0.00 175.76 175.16 1b5x s VAL 74 N -3.08 1.11 -0.41 0.00 -7.23 0.95 -5.01 120.40 106.72 1b5x s VAL 74 Ca 0.54 -1.91 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 1b5x s VAL 74 Cb -0.11 -2.02 0.26 0.00 0.56 0.00 0.00 36.38 35.08 1b5x s VAL 74 CO 0.48 0.00 0.66 -3.20 -0.31 0.00 0.00 175.10 172.73 1b5x n ASN 75 N -1.40 -0.60 0.13 4.85 5.15 -1.22 -4.06 115.26 118.12 1b5x n ASN 75 Ca -0.18 -2.92 0.12 0.00 -0.60 0.00 0.00 54.58 51.00 1b5x n ASN 75 Cb 0.67 0.06 0.63 0.00 -0.53 0.00 0.00 39.78 40.61 1b5x n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b5x h ALA 76 N 3.84 2.14 -0.01 5.20 0.00 -1.00 -0.24 119.26 129.19 1b5x h ALA 76 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b5x h ALA 76 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1b5x h ALA 76 CO 0.42 -0.20 -0.22 0.00 0.00 0.00 0.00 179.25 179.25 1b5x n HIS 78 N -0.76 -1.78 -3.98 0.00 -0.00 -0.10 -4.98 115.22 103.61 1b5x n HIS 78 Ca 0.13 0.64 -0.10 0.00 -0.00 0.00 0.00 57.72 58.38 1b5x n HIS 78 Cb 0.33 -3.72 -0.12 0.00 -0.00 0.00 0.00 29.99 26.48 1b5x n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b5x s LEU 79 N -6.74 2.19 0.39 2.41 1.43 -1.26 -5.07 118.68 112.03 1b5x s LEU 79 Ca 0.18 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.64 1b5x s LEU 79 Cb -0.07 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.09 1b5x s LEU 79 CO 0.87 -0.22 1.02 0.00 0.23 0.00 0.00 176.35 178.24 1b5x s ALA 80 N -1.15 3.09 0.36 4.21 0.00 -1.26 -0.99 121.76 126.03 1b5x s ALA 80 Ca -0.12 0.63 0.38 0.00 0.00 0.00 0.00 51.96 52.85 1b5x s ALA 80 Cb -0.08 -3.24 1.94 0.00 0.00 0.00 0.00 23.12 21.75 1b5x s ALA 80 CO -0.01 -0.11 2.16 0.00 0.00 0.00 0.00 175.76 177.81 1b5x h SER 82 N 0.00 0.60 0.10 0.00 0.87 -1.90 -0.18 113.55 113.04 1b5x h SER 82 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1b5x h SER 82 Cb 0.16 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1b5x h SER 82 CO 0.00 0.44 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 1b5x h ALA 83 N 1.67 1.00 -0.27 6.23 0.00 -1.53 0.06 119.26 126.43 1b5x h ALA 83 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1b5x h ALA 83 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1b5x h ALA 83 CO -0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1b5x n LEU 84 N -3.05 2.07 -0.22 0.00 4.77 -0.08 -3.81 117.00 116.69 1b5x n LEU 84 Ca -0.03 -0.92 0.05 0.00 -0.03 0.00 0.00 56.01 55.08 1b5x n LEU 84 Cb 0.09 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1b5x n LEU 84 CO 0.20 0.46 0.56 0.18 -1.33 0.00 0.00 177.39 177.47 1b5x n LEU 85 N 0.60 2.47 -4.84 2.23 4.77 0.01 -3.13 117.00 119.11 1b5x n LEU 85 Ca 0.16 -2.43 -0.32 0.00 -0.03 0.00 0.00 56.01 53.39 1b5x n LEU 85 Cb 0.37 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1b5x n LEU 85 CO 0.12 0.62 0.64 -1.10 -1.33 0.00 0.00 177.39 176.34 1b5x s GLN 86 N -1.75 4.00 0.26 3.23 -0.21 -1.24 -4.61 119.66 119.33 1b5x s GLN 86 Ca 0.18 0.94 0.03 0.00 0.02 0.00 0.00 55.36 56.52 1b5x s GLN 86 Cb 0.14 -2.18 0.33 0.00 1.00 0.00 0.00 33.01 32.30 1b5x s GLN 86 CO 0.04 -0.18 1.64 -0.44 -2.12 0.00 0.00 175.29 174.24 1b5x h ASP 87 N 1.23 0.42 -3.26 5.90 5.19 -1.94 -3.40 116.42 120.56 1b5x h ASP 87 Ca -0.47 -0.18 -0.59 0.00 -0.62 0.00 0.00 57.03 55.16 1b5x h ASP 87 Cb 1.18 -0.12 -0.08 0.00 0.18 0.00 0.00 39.33 40.49 1b5x h ASP 87 CO 0.62 0.79 0.54 0.21 -3.12 0.00 0.00 179.24 178.28 1b5x s ASN 88 N -6.87 6.88 -0.05 6.45 3.84 -1.26 -4.92 114.94 119.01 1b5x s ASN 88 Ca -0.06 1.08 0.10 0.00 0.21 0.00 0.00 52.86 54.19 1b5x s ASN 88 Cb 0.13 -2.46 0.38 0.00 -0.55 0.00 0.00 41.25 38.75 1b5x s ASN 88 CO 0.80 -0.57 1.24 2.30 -2.79 0.00 0.00 177.10 178.09 1b5x n ILE 89 N 5.31 0.86 -0.20 -5.21 -5.35 -1.26 -4.47 119.36 109.04 1b5x n ILE 89 Ca 0.07 -0.60 -0.01 0.00 -0.27 0.00 0.00 62.75 61.93 1b5x n ILE 89 Cb 0.47 0.03 0.09 0.00 -1.74 0.00 0.00 39.64 38.50 1b5x n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b5x h ALA 90 N 3.49 0.77 -0.49 -1.28 0.00 -1.95 0.36 119.26 120.17 1b5x h ALA 90 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1b5x h ALA 90 Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1b5x h ALA 90 CO 0.09 -0.13 -0.15 -0.44 0.00 0.00 0.00 179.25 178.62 1b5x h ASP 91 N 0.48 0.98 -0.59 0.00 3.32 -1.86 -1.01 116.42 117.73 1b5x h ASP 91 Ca 0.28 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1b5x h ASP 91 Cb 0.28 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1b5x h ASP 91 CO -0.24 1.13 0.25 0.00 -1.72 0.00 0.00 179.24 178.65 1b5x h ALA 92 N 0.88 1.26 -0.36 3.45 0.00 -1.66 -1.35 119.26 121.48 1b5x h ALA 92 Ca 0.12 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1b5x h ALA 92 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1b5x h ALA 92 CO 0.06 0.54 -0.35 0.28 0.00 0.00 0.00 179.25 179.78 1b5x h VAL 93 N 0.90 1.28 -0.49 0.00 2.07 -0.65 0.39 116.25 119.73 1b5x h VAL 93 Ca 0.21 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 1b5x h VAL 93 Cb 0.17 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1b5x h VAL 93 CO -0.02 0.50 0.03 0.00 0.02 0.00 0.00 177.57 178.10 1b5x h ALA 94 N 0.89 1.12 -0.14 1.67 0.00 -0.73 -1.50 119.26 120.57 1b5x h ALA 94 Ca 0.07 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 1b5x h ALA 94 Cb 0.92 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1b5x h ALA 94 CO 0.08 0.57 -0.75 0.00 0.00 0.00 0.00 179.25 179.15 1b5x h ALA 96 N 0.67 1.15 -0.42 0.00 0.00 -0.71 0.27 119.26 120.21 1b5x h ALA 96 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1b5x h ALA 96 Cb 1.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1b5x h ALA 96 CO 0.15 0.58 0.23 0.87 0.00 0.00 0.00 179.25 181.08 1b5x h LYS 97 N 0.89 0.58 -0.69 0.00 1.57 -1.17 -2.17 116.57 115.58 1b5x h LYS 97 Ca 0.20 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1b5x h LYS 97 Cb 0.30 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1b5x h LYS 97 CO -0.00 0.46 0.45 -0.09 -0.57 0.00 0.00 179.45 179.69 1b5x h ARG 98 N 0.54 0.88 -0.29 3.15 9.65 -0.72 -2.66 114.38 124.93 1b5x h ARG 98 Ca 0.15 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1b5x h ARG 98 Cb 0.05 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 1b5x h ARG 98 CO -0.02 0.58 0.05 0.28 2.80 0.00 0.00 179.97 183.66 1b5x h VAL 99 N 0.91 0.85 0.00 0.20 2.07 -0.61 -2.09 116.25 117.57 1b5x h VAL 99 Ca 0.26 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1b5x h VAL 99 Cb -0.07 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1b5x h VAL 99 CO -0.07 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.88 1b5x n VAL 100 N -5.09 0.00 0.72 2.57 0.24 -0.85 -2.60 118.33 113.32 1b5x n VAL 100 Ca -0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1b5x n VAL 100 Cb 0.13 -0.48 0.44 0.00 -1.47 0.00 0.00 33.84 32.46 1b5x n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1b5x n ARG 101 N -0.92 0.20 -1.93 7.34 0.63 -0.79 -4.09 116.66 117.10 1b5x n ARG 101 Ca 0.18 0.15 -0.29 0.00 -0.92 0.00 0.00 57.85 56.97 1b5x n ARG 101 Cb 0.08 -1.72 0.08 0.00 0.45 0.00 0.00 32.46 31.35 1b5x n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1b5x s ASP 102 N -4.11 4.72 0.21 6.15 1.11 -1.07 -4.97 116.67 118.72 1b5x s ASP 102 Ca 0.11 0.81 -0.21 0.00 0.18 0.00 0.00 52.55 53.44 1b5x s ASP 102 Cb 0.14 -1.38 0.15 0.00 1.07 0.00 0.00 42.92 42.90 1b5x s ASP 102 CO 0.59 -1.76 1.55 -0.65 1.18 0.00 0.00 175.17 176.08 1b5x h PRO 103 N -0.93 -0.02 0.00 8.23 0.11 -1.88 -2.26 132.00 135.25 1b5x h PRO 103 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1b5x h PRO 103 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1b5x h PRO 103 CO 0.65 -0.01 -0.05 1.96 -0.21 0.00 0.00 178.00 180.33 1b5x h GLN 104 N -0.02 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.94 1b5x h GLN 104 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1b5x h GLN 104 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1b5x h GLN 104 CO -0.95 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 177.68 1b5x n GLY 105 N -1.17 2.25 0.31 3.46 0.00 -0.85 -2.36 105.19 106.84 1b5x n GLY 105 Ca -0.03 -0.51 0.20 0.00 0.00 0.00 0.00 46.02 45.68 1b5x n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b5x h ILE 106 N 0.00 0.08 0.00 -0.61 6.09 -1.92 -1.97 117.51 119.17 1b5x h ILE 106 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1b5x h ILE 106 Cb 0.00 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1b5x h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 1b5x n ARG 107 N -3.17 0.43 0.14 2.19 1.74 -0.99 -2.99 116.66 114.01 1b5x n ARG 107 Ca -0.02 0.04 0.10 0.00 -0.77 0.00 0.00 57.85 57.20 1b5x n ARG 107 Cb 0.15 -1.50 0.61 0.00 -1.02 0.00 0.00 32.46 30.70 1b5x n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b5x h ALA 108 N 2.94 2.06 -2.91 7.54 0.00 -1.53 -3.39 119.26 123.96 1b5x h ALA 108 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1b5x h ALA 108 Cb 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 1b5x h ALA 108 CO 0.00 -0.10 -0.35 -1.58 0.00 0.00 0.00 179.25 177.21 1b5x s TRP 109 N -5.15 3.31 0.34 0.00 0.51 -1.16 -4.97 118.94 111.81 1b5x s TRP 109 Ca -0.06 0.37 0.02 0.00 -2.12 0.00 0.00 56.10 54.32 1b5x s TRP 109 Cb 0.18 -2.43 0.60 0.00 -0.81 0.00 0.00 33.47 31.01 1b5x s TRP 109 CO 0.70 -0.05 1.95 0.28 -0.51 0.00 0.00 176.95 179.31 1b5x h VAL 110 N 5.15 1.18 -0.80 4.03 2.07 -1.91 -2.51 116.25 123.47 1b5x h VAL 110 Ca -0.36 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1b5x h VAL 110 Cb 1.17 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1b5x h VAL 110 CO 0.66 0.20 0.52 0.00 0.02 0.00 0.00 177.57 178.98 1b5x h ALA 111 N 1.54 1.53 -0.63 1.67 0.00 -1.95 -0.44 119.26 120.98 1b5x h ALA 111 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1b5x h ALA 111 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1b5x h ALA 111 CO -0.03 0.39 0.20 2.35 0.00 0.00 0.00 179.25 182.16 1b5x h TRP 112 N 0.97 1.01 -0.79 0.00 7.01 -1.77 0.12 115.95 122.50 1b5x h TRP 112 Ca 0.32 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 1b5x h TRP 112 Cb 0.05 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 26.79 1b5x h TRP 112 CO -0.00 0.83 0.33 0.00 -2.79 0.00 0.00 178.44 176.81 1b5x h ARG 113 N 0.90 1.16 -0.02 2.65 3.08 -1.26 0.35 114.38 121.25 1b5x h ARG 113 Ca 0.20 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1b5x h ARG 113 Cb 0.29 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1b5x h ARG 113 CO -0.01 0.93 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.70 1b5x h ASN 114 N 1.13 0.22 0.00 7.04 2.35 -0.73 -3.33 115.58 122.27 1b5x h ASN 114 Ca 0.26 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1b5x h ASN 114 Cb 0.19 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1b5x h ASN 114 CO -0.03 0.91 -0.79 0.54 -1.65 0.00 0.00 177.43 176.42 1b5x n ARG 115 N -4.54 1.94 -0.01 0.81 5.12 0.37 -4.76 116.66 115.59 1b5x n ARG 115 Ca -0.09 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 55.81 1b5x n ARG 115 Cb 0.47 -1.22 -0.01 0.00 -1.16 0.00 0.00 32.46 30.54 1b5x n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b5x s GLN 117 N -2.03 4.20 0.00 0.00 0.74 0.95 -2.29 119.66 121.22 1b5x s GLN 117 Ca -0.01 2.28 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1b5x s GLN 117 Cb 0.00 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.38 1b5x s GLN 117 CO 0.05 -0.76 0.00 0.09 -0.55 0.00 0.00 175.29 174.12 1b5x n ASN 118 N 6.10 0.00 -4.92 6.67 4.13 -1.26 -4.90 115.26 121.07 1b5x n ASN 118 Ca 0.16 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.21 1b5x n ASN 118 Cb 0.41 -0.54 0.08 0.00 -1.54 0.00 0.00 39.78 38.20 1b5x n ASN 118 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1b5x s ARG 119 N -0.12 2.02 -0.33 3.52 0.52 -0.97 -5.06 118.95 118.53 1b5x s ARG 119 Ca 0.00 -1.57 -0.25 0.00 -0.52 0.00 0.00 55.73 53.39 1b5x s ARG 119 Cb 0.00 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.93 1b5x s ARG 119 CO 0.00 -1.13 0.86 -0.51 0.02 0.00 0.00 175.30 174.54 1b5x s ASP 120 N -4.74 6.70 0.00 0.23 1.01 -1.26 -4.89 116.67 113.72 1b5x s ASP 120 Ca 0.64 0.67 0.06 0.00 0.71 0.00 0.00 52.55 54.64 1b5x s ASP 120 Cb -0.05 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 1b5x s ASP 120 CO 0.41 -0.72 0.41 1.33 0.21 0.00 0.00 175.17 176.82 1b5x n VAL 121 N 5.70 0.00 0.16 -1.27 0.24 -1.26 -4.57 118.33 117.33 1b5x n VAL 121 Ca 0.06 -0.41 0.06 0.00 -2.04 0.00 0.00 64.34 62.00 1b5x n VAL 121 Cb 0.48 1.05 0.52 0.00 -1.47 0.00 0.00 33.84 34.42 1b5x n VAL 121 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1b5x h ARG 122 N 0.46 0.18 -0.23 7.34 2.43 -1.90 -1.46 114.38 121.20 1b5x h ARG 122 Ca 0.00 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1b5x h ARG 122 Cb 0.19 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1b5x h ARG 122 CO 0.00 0.18 0.20 -0.56 -1.51 0.00 0.00 179.97 178.28 1b5x h GLN 123 N 0.19 0.00 0.00 0.20 3.07 -1.98 -2.35 115.11 114.24 1b5x h GLN 123 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.73 1b5x h GLN 123 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1b5x h GLN 123 CO -0.00 0.00 -0.28 1.88 0.09 0.00 0.00 178.83 180.52 1b5x h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.58 -3.24 116.97 112.25 1b5x h TYR 124 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1b5x h TYR 124 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1b5x h TYR 124 CO 0.00 0.28 -0.25 1.33 -1.05 0.00 0.00 178.16 178.47 1b5x n VAL 125 N -3.61 0.00 -1.70 -2.88 0.24 -0.90 -4.81 118.33 104.67 1b5x n VAL 125 Ca -0.01 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.34 61.48 1b5x n VAL 125 Cb 0.41 1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 1b5x n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b5x n GLN 126 N -0.19 2.67 -0.97 7.34 1.13 -1.12 -1.78 117.38 124.46 1b5x n GLN 126 Ca 0.05 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 56.08 1b5x n GLN 126 Cb 0.26 -2.82 0.00 0.00 0.11 0.00 0.00 30.24 27.78 1b5x n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1b5x n GLY 127 N 4.01 0.74 0.17 1.08 0.00 -1.26 -4.91 105.19 105.02 1b5x n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1b5x n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5x n GLY 129 N 1.39 0.16 0.24 0.00 0.00 -1.26 -4.81 105.19 100.91 1b5x n GLY 129 Ca 0.10 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.69 1b5x n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65