#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chp n PRO 2 N 0.00 1.59 -0.03 -2.82 -0.04 -1.26 -4.93 135.00 127.51 1chp n PRO 2 Ca 0.00 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 1chp n PRO 2 Cb 0.00 -2.06 0.07 0.00 -0.04 0.00 0.00 33.50 31.47 1chp n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1chp n GLN 3 N 0.48 1.02 -3.68 0.54 6.02 -1.26 -4.96 117.38 115.54 1chp n GLN 3 Ca 0.08 -1.36 -0.07 0.00 -0.01 0.00 0.00 57.00 55.64 1chp n GLN 3 Cb 0.36 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.36 1chp n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1chp s ASN 4 N -1.00 -0.32 0.26 1.08 2.20 -1.26 -5.07 114.94 110.82 1chp s ASN 4 Ca 0.16 -0.34 -0.05 0.00 -0.94 0.00 0.00 52.86 51.69 1chp s ASN 4 Cb 0.11 0.59 0.30 0.00 -2.00 0.00 0.00 41.25 40.24 1chp s ASN 4 CO 0.15 -1.05 1.93 -0.29 -2.94 0.00 0.00 177.10 174.91 1chp h ILE 5 N 2.00 1.24 -0.39 0.54 2.10 -1.96 -2.16 117.51 118.89 1chp h ILE 5 Ca -0.24 -0.45 -0.06 0.00 1.08 0.00 0.00 64.86 65.19 1chp h ILE 5 Cb 1.26 -0.19 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 1chp h ILE 5 CO 0.28 0.24 0.01 0.71 -1.08 0.00 0.00 178.15 178.31 1chp h THR 6 N 1.32 1.26 -0.76 2.19 1.35 -1.99 0.04 112.91 116.32 1chp h THR 6 Ca 0.36 -0.98 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 1chp h THR 6 Cb -0.13 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.38 1chp h THR 6 CO -0.08 0.33 0.28 0.44 -0.25 0.00 0.00 175.52 176.24 1chp h ASP 7 N 0.50 1.05 -0.31 5.36 3.32 -1.96 -2.30 116.42 122.08 1chp h ASP 7 Ca 0.11 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 1chp h ASP 7 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1chp h ASP 7 CO 0.02 0.95 -0.37 0.25 -1.72 0.00 0.00 179.24 178.36 1chp h LEU 8 N 1.11 0.91 -1.56 1.55 6.46 -1.20 -3.05 115.31 119.52 1chp h LEU 8 Ca 0.25 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1chp h LEU 8 Cb 0.23 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1chp h LEU 8 CO -0.02 1.18 0.07 0.00 -0.62 0.00 0.00 178.44 179.05 1chp h ALA 10 N 1.73 1.00 -0.00 0.00 0.00 -1.31 -2.92 119.26 117.75 1chp h ALA 10 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1chp h ALA 10 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1chp h ALA 10 CO -0.01 0.00 -0.02 0.39 0.00 0.00 0.00 179.25 179.62 1chp n GLU 11 N -2.65 0.90 -4.31 0.00 1.02 -0.95 -4.83 120.64 109.82 1chp n GLU 11 Ca 0.01 -0.13 -0.23 0.00 -0.02 0.00 0.00 57.16 56.79 1chp n GLU 11 Cb 0.26 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1chp n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1chp s TYR 12 N -2.19 2.65 -0.05 -0.32 2.02 -1.11 -5.11 117.35 113.24 1chp s TYR 12 Ca 0.40 -0.23 -0.21 0.00 -0.37 0.00 0.00 57.07 56.66 1chp s TYR 12 Cb 0.21 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1chp s TYR 12 CO 0.40 0.63 0.62 -1.58 -1.57 0.00 0.00 175.55 174.04 1chp s HIS 13 N -2.31 3.60 -1.48 2.71 2.46 -1.26 -4.29 115.29 114.73 1chp s HIS 13 Ca 0.31 1.16 -0.10 0.00 0.47 0.00 0.00 55.06 56.90 1chp s HIS 13 Cb -0.06 -2.68 0.06 0.00 -0.13 0.00 0.00 32.58 29.77 1chp s HIS 13 CO 0.19 0.20 0.84 0.09 -2.47 0.00 0.00 174.74 173.60 1chp n ASN 14 N 3.37 -3.35 -5.01 9.88 5.03 -1.26 -4.93 115.26 118.98 1chp n ASN 14 Ca -0.04 -0.83 -0.17 0.00 0.87 0.00 0.00 54.58 54.40 1chp n ASN 14 Cb 0.51 -3.75 0.02 0.00 -1.02 0.00 0.00 39.78 35.54 1chp n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1chp s THR 15 N -3.45 2.86 -0.02 3.41 -4.23 -1.26 -3.16 115.64 109.78 1chp s THR 15 Ca 0.45 -0.99 -0.20 0.00 -1.18 0.00 0.00 61.69 59.76 1chp s THR 15 Cb -0.23 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1chp s THR 15 CO 0.84 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 175.36 1chp s GLN 16 N -4.41 0.81 -0.14 3.99 -2.07 -0.53 -4.87 119.66 112.43 1chp s GLN 16 Ca 0.56 -0.05 -0.08 0.00 -1.82 0.00 0.00 55.36 53.97 1chp s GLN 16 Cb -0.09 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1chp s GLN 16 CO 0.34 -0.24 0.14 0.42 -1.32 0.00 0.00 175.29 174.63 1chp s ILE 17 N -1.33 5.47 -0.12 3.63 -1.09 -1.26 -0.83 121.20 125.67 1chp s ILE 17 Ca -0.12 0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.53 1chp s ILE 17 Cb -0.03 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1chp s ILE 17 CO 0.06 0.56 -0.21 -1.00 -1.23 0.00 0.00 174.94 173.12 1chp s HIS 18 N -0.59 2.64 -0.31 3.97 3.76 0.07 -4.97 115.29 119.87 1chp s HIS 18 Ca 0.13 -1.06 -0.10 0.00 -0.15 0.00 0.00 55.06 53.87 1chp s HIS 18 Cb -0.12 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1chp s HIS 18 CO 0.02 -0.44 0.17 0.99 -0.85 0.00 0.00 174.74 174.63 1chp s THR 19 N 0.51 4.85 -0.17 1.30 2.01 -1.26 -1.11 115.64 121.76 1chp s THR 19 Ca -0.14 -0.26 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1chp s THR 19 Cb -0.17 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 1chp s THR 19 CO 0.05 0.10 -0.26 0.18 -0.69 0.00 0.00 174.62 174.00 1chp n LEU 20 N 5.02 1.53 -3.76 4.42 7.99 0.60 -5.00 117.00 127.80 1chp n LEU 20 Ca -0.14 0.26 -0.25 0.00 -0.01 0.00 0.00 56.01 55.87 1chp n LEU 20 Cb 0.50 -0.61 0.04 0.00 -0.11 0.00 0.00 43.42 43.24 1chp n LEU 20 CO 0.34 0.15 0.05 0.59 -1.51 0.00 0.00 177.39 177.01 1chp n ASN 21 N -4.01 -3.30 -3.69 -1.43 3.02 0.88 -4.97 115.26 101.75 1chp n ASN 21 Ca -0.30 -0.76 -0.10 0.00 -0.03 0.00 0.00 54.58 53.39 1chp n ASN 21 Cb 0.65 -4.17 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 1chp n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1chp s ASP 22 N -3.82 -0.20 0.74 6.41 2.15 -0.85 -4.89 116.67 116.22 1chp s ASP 22 Ca 0.34 -0.40 -0.11 0.00 0.43 0.00 0.00 52.55 52.80 1chp s ASP 22 Cb -0.17 0.48 0.04 0.00 -0.30 0.00 0.00 42.92 42.97 1chp s ASP 22 CO 0.80 -0.88 1.10 -1.59 -0.17 0.00 0.00 175.17 174.43 1chp s LYS 23 N -3.83 2.54 0.07 4.34 -2.85 -1.26 -0.95 119.74 117.79 1chp s LYS 23 Ca 0.05 0.53 -0.31 0.00 -1.00 0.00 0.00 55.97 55.25 1chp s LYS 23 Cb 0.02 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.75 1chp s LYS 23 CO -0.10 -1.28 1.19 0.42 0.10 0.00 0.00 175.35 175.68 1chp s ILE 24 N -3.28 4.05 0.01 3.79 1.01 -1.26 -4.71 121.20 120.81 1chp s ILE 24 Ca 0.59 1.49 -0.19 0.00 0.00 0.00 0.00 60.65 62.54 1chp s ILE 24 Cb -0.12 -3.95 -0.23 0.00 0.01 0.00 0.00 42.46 38.16 1chp s ILE 24 CO 0.53 0.13 1.11 0.15 0.00 0.00 0.00 174.94 176.86 1chp h PHE 25 N 6.68 0.67 -3.47 3.97 3.57 -0.80 -3.47 116.94 124.08 1chp h PHE 25 Ca -0.42 -0.36 -0.12 0.00 3.53 0.00 0.00 57.97 60.60 1chp h PHE 25 Cb 1.21 -0.08 -0.18 0.00 2.79 0.00 0.00 35.95 39.69 1chp h PHE 25 CO 0.67 1.18 -0.40 -1.54 -2.23 0.00 0.00 178.31 175.99 1chp s SER 26 N -6.82 -0.00 -0.11 0.41 1.04 -1.11 -4.99 113.70 102.13 1chp s SER 26 Ca -0.13 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1chp s SER 26 Cb 0.04 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1chp s SER 26 CO 0.83 -0.50 -0.10 -0.47 0.98 0.00 0.00 173.24 173.99 1chp s TYR 27 N -2.13 1.58 -0.09 5.02 5.04 -1.26 -2.37 117.35 123.14 1chp s TYR 27 Ca -0.08 -0.76 0.03 0.00 -2.44 0.00 0.00 57.07 53.82 1chp s TYR 27 Cb -0.03 -1.25 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 1chp s TYR 27 CO -0.01 -0.48 -0.21 0.99 -1.34 0.00 0.00 175.55 174.50 1chp s THR 28 N 1.42 2.36 -0.04 4.34 2.01 0.64 -4.98 115.64 121.39 1chp s THR 28 Ca 0.00 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1chp s THR 28 Cb -0.13 -1.92 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1chp s THR 28 CO -0.06 0.56 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.57 1chp s GLU 29 N 0.16 1.68 -0.04 4.92 2.12 -1.26 -0.32 118.70 125.95 1chp s GLU 29 Ca -0.12 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1chp s GLU 29 Cb -0.16 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.76 1chp s GLU 29 CO 0.06 0.23 -0.14 0.45 -0.54 0.00 0.00 175.26 175.32 1chp s SER 30 N 0.04 1.87 0.00 -1.70 0.15 0.11 -4.99 113.70 109.18 1chp s SER 30 Ca -0.03 -0.31 0.12 0.00 0.70 0.00 0.00 55.95 56.43 1chp s SER 30 Cb -0.11 -0.57 0.14 0.00 -1.71 0.00 0.00 66.02 63.78 1chp s SER 30 CO 0.02 0.11 0.96 0.00 1.20 0.00 0.00 173.24 175.54 1chp n LEU 31 N 3.28 2.21 -4.77 3.45 -0.00 -1.26 -2.03 117.00 117.87 1chp n LEU 31 Ca -0.19 -1.21 -0.40 0.00 -0.00 0.00 0.00 56.01 54.21 1chp n LEU 31 Cb 0.53 -0.05 -0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1chp n LEU 31 CO 0.25 0.45 1.07 0.00 -0.00 0.00 0.00 177.39 179.17 1chp s ALA 32 N -1.00 3.46 -0.09 1.47 0.00 -1.26 -4.75 121.76 119.58 1chp s ALA 32 Ca 0.16 1.45 -0.40 0.00 0.00 0.00 0.00 51.96 53.18 1chp s ALA 32 Cb 0.11 -3.57 -0.18 0.00 0.00 0.00 0.00 23.12 19.48 1chp s ALA 32 CO 0.15 -0.98 1.39 -0.25 0.00 0.00 0.00 175.76 176.08 1chp n ASP 33 N 0.35 1.30 0.00 0.00 9.92 -1.26 -0.91 116.55 125.96 1chp n ASP 33 Ca 0.02 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1chp n ASP 33 Cb 0.41 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1chp n ASP 33 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1chp n LYS 34 N 3.03 0.00 -2.62 -1.24 4.76 -1.26 -4.78 118.16 116.05 1chp n LYS 34 Ca 0.22 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.58 1chp n LYS 34 Cb 0.12 -3.54 0.04 0.00 -1.84 0.00 0.00 35.03 29.80 1chp n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1chp n ARG 35 N -2.00 2.10 -2.57 1.97 1.74 -0.08 -5.00 116.66 112.82 1chp n ARG 35 Ca 0.00 -3.66 -0.41 0.00 -0.77 0.00 0.00 57.85 53.01 1chp n ARG 35 Cb 0.00 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.70 1chp n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1chp s GLU 36 N -3.62 3.23 0.20 5.56 8.01 -1.14 -4.39 118.70 126.56 1chp s GLU 36 Ca 0.33 -0.21 -0.07 0.00 0.01 0.00 0.00 54.97 55.04 1chp s GLU 36 Cb 0.37 -4.16 0.03 0.00 -4.31 0.00 0.00 34.13 26.06 1chp s GLU 36 CO -0.02 -2.07 0.39 0.00 0.01 0.00 0.00 175.26 173.56 1chp n MET 37 N 9.17 0.55 -4.14 1.61 0.00 -0.86 -4.51 117.12 118.95 1chp n MET 37 Ca 0.03 -1.20 -0.15 0.00 0.00 0.00 0.00 57.70 56.38 1chp n MET 37 Cb 0.49 1.44 -0.13 0.00 0.00 0.00 0.00 33.22 35.02 1chp n MET 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1chp s ALA 38 N -1.66 0.57 -0.04 3.17 0.00 -1.26 -0.71 121.76 121.83 1chp s ALA 38 Ca 0.09 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1chp s ALA 38 Cb -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1chp s ALA 38 CO 0.07 0.06 -0.09 0.42 0.00 0.00 0.00 175.76 176.22 1chp s ILE 39 N -0.75 0.84 0.08 0.00 1.01 0.56 -2.63 121.20 120.31 1chp s ILE 39 Ca -0.03 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1chp s ILE 39 Cb -0.06 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 1chp s ILE 39 CO 0.00 0.27 -0.18 0.27 0.00 0.00 0.00 174.94 175.30 1chp s ILE 40 N 0.36 1.46 0.08 2.92 -4.36 -0.36 -0.26 121.20 121.05 1chp s ILE 40 Ca -0.06 -1.39 0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1chp s ILE 40 Cb -0.11 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 1chp s ILE 40 CO 0.01 -0.09 -0.08 0.42 0.24 0.00 0.00 174.94 175.44 1chp s THR 41 N -1.14 0.76 0.29 8.37 -4.23 -1.00 -0.89 115.64 117.79 1chp s THR 41 Ca 0.03 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1chp s THR 41 Cb -0.10 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1chp s THR 41 CO 0.03 -0.64 0.02 -0.36 -0.54 0.00 0.00 174.62 173.13 1chp s PHE 42 N -2.65 2.67 0.44 3.99 0.40 -0.40 -0.07 117.98 122.37 1chp s PHE 42 Ca 0.04 -0.28 0.21 0.00 -0.60 0.00 0.00 56.93 56.30 1chp s PHE 42 Cb -0.01 -1.30 1.18 0.00 0.51 0.00 0.00 43.02 43.39 1chp s PHE 42 CO -0.02 0.56 1.85 1.57 0.70 0.00 0.00 175.22 179.88 1chp h LYS 43 N 1.83 0.30 0.00 0.44 2.10 -1.90 -0.65 116.57 118.69 1chp h LYS 43 Ca -0.44 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1chp h LYS 43 Cb 1.25 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1chp h LYS 43 CO 0.62 0.20 0.00 0.27 -2.00 0.00 0.00 179.45 178.54 1chp n ASN 44 N -4.47 0.00 0.00 7.07 6.94 -1.26 -4.86 115.26 118.69 1chp n ASN 44 Ca 0.20 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1chp n ASN 44 Cb 0.78 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1chp n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1chp n GLY 45 N -0.00 0.27 3.73 4.83 0.00 -0.25 -5.05 105.19 108.72 1chp n GLY 45 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1chp n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chp s ALA 46 N -2.09 3.66 -0.05 4.61 0.00 -1.26 -4.80 121.76 121.84 1chp s ALA 46 Ca 0.00 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1chp s ALA 46 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1chp s ALA 46 CO 0.00 -0.71 -0.20 0.99 0.00 0.00 0.00 175.76 175.84 1chp s THR 47 N 0.58 1.65 0.08 0.00 2.01 -1.26 -1.27 115.64 117.43 1chp s THR 47 Ca 0.63 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1chp s THR 47 Cb -0.41 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1chp s THR 47 CO 0.36 0.47 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.34 1chp s PHE 48 N -0.06 0.77 0.12 4.92 0.08 -0.07 -3.87 117.98 119.87 1chp s PHE 48 Ca -0.03 -0.87 -0.00 0.00 0.12 0.00 0.00 56.93 56.14 1chp s PHE 48 Cb -0.12 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 1chp s PHE 48 CO 0.02 -0.18 0.02 1.14 -0.10 0.00 0.00 175.22 176.12 1chp s GLN 49 N -3.46 0.91 -0.17 0.44 -2.07 -0.84 -1.22 119.66 113.25 1chp s GLN 49 Ca 0.07 -1.42 -0.05 0.00 -1.82 0.00 0.00 55.36 52.14 1chp s GLN 49 Cb 0.03 0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1chp s GLN 49 CO -0.05 -0.19 -0.01 0.08 -1.32 0.00 0.00 175.29 173.81 1chp s VAL 50 N -3.90 4.13 0.54 3.63 1.01 -1.08 -1.25 120.40 123.48 1chp s VAL 50 Ca 0.20 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 1chp s VAL 50 Cb 0.07 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1chp s VAL 50 CO -0.00 0.47 1.03 -0.62 0.00 0.00 0.00 175.10 175.98 1chp n GLU 51 N 3.64 1.15 -2.38 2.72 1.02 -1.26 -4.38 120.64 121.15 1chp n GLU 51 Ca -0.17 0.43 -0.41 0.00 -0.02 0.00 0.00 57.16 56.98 1chp n GLU 51 Cb 0.52 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 1chp n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1chp s VAL 52 N -1.42 3.67 -0.35 2.62 1.01 -1.26 -4.92 120.40 119.75 1chp s VAL 52 Ca 0.71 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.77 1chp s VAL 52 Cb -0.45 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1chp s VAL 52 CO 0.50 0.19 2.22 -2.16 0.00 0.00 0.00 175.10 175.84 1chp s PRO 53 N 0.12 2.77 0.32 2.72 0.04 -1.26 -4.98 135.00 134.73 1chp s PRO 53 Ca 0.55 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 1chp s PRO 53 Cb -0.32 -4.43 -0.08 0.00 0.04 0.00 0.00 34.50 29.71 1chp s PRO 53 CO 0.35 -2.52 0.71 0.20 0.04 0.00 0.00 177.00 175.78 1chp s GLY 54 N 9.37 2.24 0.09 0.56 0.00 -1.26 -5.03 107.32 113.29 1chp s GLY 54 Ca 0.95 -0.07 -0.32 0.00 0.00 0.00 0.00 44.72 45.29 1chp s GLY 54 CO 0.31 0.12 1.62 1.48 0.00 0.00 0.00 173.10 176.63 1chp h SER 55 N 2.10 -0.89 -0.84 1.64 4.64 -2.00 -3.23 113.55 114.96 1chp h SER 55 Ca -0.48 0.06 0.23 0.00 -0.47 0.00 0.00 61.79 61.14 1chp h SER 55 Cb 1.18 0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.51 1chp h SER 55 CO 0.66 -0.51 0.60 0.06 -0.87 0.00 0.00 176.83 176.76 1chp h GLN 56 N -0.78 0.09 -6.67 4.77 -0.00 -2.03 -3.42 115.11 107.06 1chp h GLN 56 Ca -0.05 -0.01 -0.50 0.00 -0.00 0.00 0.00 58.65 58.10 1chp h GLN 56 Cb 0.67 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 28.11 1chp h GLN 56 CO 0.01 0.06 0.33 -3.38 -0.00 0.00 0.00 178.83 175.84 1chp s HIS 57 N -5.08 3.93 0.95 0.06 -3.43 -1.22 -5.01 115.29 105.49 1chp s HIS 57 Ca -0.06 1.85 -0.12 0.00 -0.80 0.00 0.00 55.06 55.93 1chp s HIS 57 Cb 0.21 -2.97 0.06 0.00 -1.43 0.00 0.00 32.58 28.46 1chp s HIS 57 CO 0.77 0.41 0.55 0.44 -2.00 0.00 0.00 174.74 174.90 1chp n ILE 58 N 1.82 0.00 0.26 -5.38 -5.35 -1.26 -4.74 119.36 104.71 1chp n ILE 58 Ca -0.02 -0.16 0.14 0.00 -0.27 0.00 0.00 62.75 62.45 1chp n ILE 58 Cb 0.48 -0.70 0.68 0.00 -1.74 0.00 0.00 39.64 38.36 1chp n ILE 58 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1chp h ASP 59 N -1.66 0.00 0.71 7.28 3.32 -1.95 -1.07 116.42 123.05 1chp h ASP 59 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 1chp h ASP 59 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1chp h ASP 59 CO 0.36 0.11 -0.46 0.77 -1.72 0.00 0.00 179.24 178.30 1chp h SER 60 N 0.00 0.00 0.24 6.45 4.64 -1.99 0.68 113.55 123.57 1chp h SER 60 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1chp h SER 60 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1chp h SER 60 CO 0.01 0.46 -0.65 1.56 -0.87 0.00 0.00 176.83 177.35 1chp h GLN 61 N 0.00 0.38 -0.26 4.77 1.08 -1.55 -2.23 115.11 117.30 1chp h GLN 61 Ca -0.00 -0.28 -0.15 0.00 -1.45 0.00 0.00 58.65 56.77 1chp h GLN 61 Cb 0.93 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1chp h GLN 61 CO 0.06 0.90 -0.44 0.87 -0.95 0.00 0.00 178.83 179.27 1chp h LYS 62 N 0.28 0.66 -0.41 1.46 1.57 -0.73 -2.17 116.57 117.23 1chp h LYS 62 Ca -0.01 -0.36 -0.14 0.00 -1.87 0.00 0.00 60.65 58.27 1chp h LYS 62 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1chp h LYS 62 CO 0.11 0.97 -0.28 1.57 -0.57 0.00 0.00 179.45 181.25 1chp h LYS 63 N 0.53 0.88 -0.42 3.15 5.09 -0.79 -2.59 116.57 122.42 1chp h LYS 63 Ca 0.04 -0.40 -0.10 0.00 0.09 0.00 0.00 60.65 60.28 1chp h LYS 63 Cb 0.98 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.27 1chp h LYS 63 CO 0.09 1.05 -0.13 0.00 -2.09 0.00 0.00 179.45 178.36 1chp h ALA 64 N 0.93 0.99 -0.52 0.07 0.00 -1.34 -0.69 119.26 118.69 1chp h ALA 64 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1chp h ALA 64 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1chp h ALA 64 CO 0.07 0.60 0.12 0.82 0.00 0.00 0.00 179.25 180.86 1chp h ILE 65 N 0.68 1.24 -0.47 0.00 2.04 -1.29 -1.22 117.51 118.49 1chp h ILE 65 Ca 0.11 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1chp h ILE 65 Cb 0.61 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1chp h ILE 65 CO 0.04 0.32 0.11 -0.33 0.00 0.00 0.00 178.15 178.28 1chp h GLU 66 N 0.73 0.75 -0.41 2.37 4.39 -1.12 -2.23 114.58 119.06 1chp h GLU 66 Ca 0.16 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1chp h GLU 66 Cb 0.35 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1chp h GLU 66 CO 0.00 0.75 0.27 -0.09 -1.16 0.00 0.00 179.01 178.78 1chp h ARG 67 N 0.63 0.54 -0.83 2.33 2.43 -0.95 -2.16 114.38 116.37 1chp h ARG 67 Ca 0.15 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1chp h ARG 67 Cb 0.34 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1chp h ARG 67 CO 0.00 0.36 0.50 1.98 -1.51 0.00 0.00 179.97 181.30 1chp h MET 68 N 0.56 0.86 -0.27 0.20 4.05 -1.00 0.29 114.93 119.61 1chp h MET 68 Ca 0.15 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 1chp h MET 68 Cb -0.06 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 1chp h MET 68 CO -0.03 0.57 -0.17 0.87 0.23 0.00 0.00 176.91 178.38 1chp h LYS 69 N 0.88 0.48 -0.35 0.39 1.57 -0.98 -0.74 116.57 117.83 1chp h LYS 69 Ca 0.38 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1chp h LYS 69 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1chp h LYS 69 CO -0.20 0.64 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.77 1chp h ASP 70 N 0.44 0.69 -0.35 0.86 3.32 -0.58 -2.24 116.42 118.57 1chp h ASP 70 Ca 0.08 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1chp h ASP 70 Cb 0.55 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1chp h ASP 70 CO 0.04 0.91 0.17 0.74 -1.72 0.00 0.00 179.24 179.38 1chp h THR 71 N 0.47 1.16 -0.74 0.35 2.02 -0.10 -2.27 112.91 113.80 1chp h THR 71 Ca 0.09 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1chp h THR 71 Cb 0.62 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1chp h THR 71 CO 0.04 0.17 0.27 -0.07 0.37 0.00 0.00 175.52 176.30 1chp h LEU 72 N 0.43 1.03 -0.23 2.58 3.38 -1.10 -0.60 115.31 120.81 1chp h LEU 72 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1chp h LEU 72 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1chp h LEU 72 CO -0.02 0.93 0.07 -0.09 0.09 0.00 0.00 178.44 179.42 1chp h ARG 73 N 1.08 0.36 -0.15 1.13 2.43 -1.26 -0.65 114.38 117.32 1chp h ARG 73 Ca 0.25 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1chp h ARG 73 Cb 0.24 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1chp h ARG 73 CO -0.02 0.45 -0.44 0.97 -1.51 0.00 0.00 179.97 179.43 1chp h ILE 74 N 0.20 1.32 -0.64 1.20 6.09 -1.25 -1.05 117.51 123.38 1chp h ILE 74 Ca 0.07 -1.61 -0.06 0.00 -1.37 0.00 0.00 64.86 61.89 1chp h ILE 74 Cb 0.24 1.68 -0.03 0.00 0.47 0.00 0.00 36.82 39.19 1chp h ILE 74 CO -0.00 0.49 0.15 0.00 -3.07 0.00 0.00 178.15 175.72 1chp h ALA 75 N 1.24 0.84 0.03 0.18 0.00 -0.99 -0.69 119.26 119.86 1chp h ALA 75 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1chp h ALA 75 Cb 0.89 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1chp h ALA 75 CO 0.07 0.55 -0.01 -0.92 0.00 0.00 0.00 179.25 178.94 1chp h TYR 76 N 0.94 -0.03 -0.33 0.00 3.20 -0.77 -1.50 116.97 118.47 1chp h TYR 76 Ca 0.20 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1chp h TYR 76 Cb 0.36 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1chp h TYR 76 CO 0.03 0.12 0.03 -0.07 -1.64 0.00 0.00 178.16 176.62 1chp h LEU 77 N -0.18 0.46 -0.92 2.82 3.38 -0.97 -2.60 115.31 117.31 1chp h LEU 77 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1chp h LEU 77 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1chp h LEU 77 CO 0.01 0.51 -0.04 0.35 0.09 0.00 0.00 178.44 179.36 1chp n THR 78 N -4.31 0.00 -2.65 0.22 -2.24 -0.29 -4.94 114.28 100.07 1chp n THR 78 Ca 0.02 -0.24 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1chp n THR 78 Cb 0.22 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.97 1chp n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1chp n GLU 79 N 0.07 -2.90 -2.07 -0.78 1.02 -0.62 -4.95 120.64 110.42 1chp n GLU 79 Ca 0.18 0.93 -0.40 0.00 -0.02 0.00 0.00 57.16 57.84 1chp n GLU 79 Cb 0.36 -5.67 -0.02 0.00 -0.02 0.00 0.00 31.44 26.10 1chp n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1chp s ALA 80 N -3.06 3.47 -0.17 0.62 0.00 -0.85 -4.77 121.76 116.99 1chp s ALA 80 Ca 0.12 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 1chp s ALA 80 Cb -0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1chp s ALA 80 CO 0.15 -0.72 1.04 0.21 0.00 0.00 0.00 175.76 176.43 1chp s LYS 81 N -1.91 4.33 -0.15 0.00 2.20 -1.26 -4.33 119.74 118.61 1chp s LYS 81 Ca 0.51 1.39 -0.16 0.00 -0.36 0.00 0.00 55.97 57.35 1chp s LYS 81 Cb -0.40 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1chp s LYS 81 CO 0.53 -0.50 0.38 0.54 -0.36 0.00 0.00 175.35 175.94 1chp s VAL 82 N 2.72 5.24 -0.06 4.02 0.11 -0.13 -3.55 120.40 128.76 1chp s VAL 82 Ca 0.46 0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 60.24 1chp s VAL 82 Cb -0.17 -3.72 -0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1chp s VAL 82 CO 0.11 0.34 -0.02 -0.08 -3.33 0.00 0.00 175.10 172.12 1chp h GLU 83 N 6.82 0.00 -4.58 1.54 4.81 -1.22 0.27 114.58 122.22 1chp h GLU 83 Ca -0.40 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.62 1chp h GLU 83 Cb 1.17 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 1chp h GLU 83 CO 0.75 0.00 -0.70 0.15 -0.73 0.00 0.00 179.01 178.49 1chp s LYS 84 N -1.36 0.79 -0.02 1.92 1.02 -1.20 -0.29 119.74 120.59 1chp s LYS 84 Ca -0.02 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.71 1chp s LYS 84 Cb 0.00 -0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.18 1chp s LYS 84 CO 0.02 -0.03 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.81 1chp s LEU 85 N -2.97 1.83 -0.20 3.17 1.43 -0.27 -1.36 118.68 120.31 1chp s LEU 85 Ca 0.10 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1chp s LEU 85 Cb 0.05 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 1chp s LEU 85 CO -0.05 0.08 0.06 0.00 0.23 0.00 0.00 176.35 176.67 1chp s VAL 87 N 0.68 1.00 -0.36 0.00 -7.23 -0.01 0.55 120.40 115.03 1chp s VAL 87 Ca 0.03 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 1chp s VAL 87 Cb -0.13 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1chp s VAL 87 CO 0.02 -0.76 0.61 0.26 -0.31 0.00 0.00 175.10 174.92 1chp s TRP 88 N -3.30 3.16 -2.08 2.82 0.51 0.37 -1.46 118.94 118.95 1chp s TRP 88 Ca 0.14 0.30 0.29 0.00 -2.12 0.00 0.00 56.10 54.71 1chp s TRP 88 Cb 0.03 -3.09 1.65 0.00 -0.81 0.00 0.00 33.47 31.24 1chp s TRP 88 CO -0.01 -0.61 2.07 0.27 -0.51 0.00 0.00 176.95 178.16 1chp n ASN 89 N 5.98 0.28 -0.21 2.95 0.23 -1.19 -2.87 115.26 120.42 1chp n ASN 89 Ca -0.02 -1.15 0.07 0.00 -0.53 0.00 0.00 54.58 52.95 1chp n ASN 89 Cb 0.49 -0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.51 1chp n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1chp n ASN 90 N -0.76 0.63 -4.27 0.53 6.94 -1.26 -4.83 115.26 112.25 1chp n ASN 90 Ca 0.22 -1.70 -0.18 0.00 -0.02 0.00 0.00 54.58 52.90 1chp n ASN 90 Cb 0.15 -0.06 -0.11 0.00 -2.36 0.00 0.00 39.78 37.41 1chp n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1chp s LYS 91 N -1.89 1.10 -0.11 -3.83 -0.14 -1.24 -5.09 119.74 108.55 1chp s LYS 91 Ca 0.22 -1.35 -0.04 0.00 -1.36 0.00 0.00 55.97 53.44 1chp s LYS 91 Cb 0.11 -0.93 0.06 0.00 -1.68 0.00 0.00 37.83 35.38 1chp s LYS 91 CO 0.17 0.17 0.22 0.99 -0.76 0.00 0.00 175.35 176.13 1chp s THR 92 N -2.47 -0.31 0.89 2.17 2.01 -1.26 -3.12 115.64 113.56 1chp s THR 92 Ca 0.13 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.31 1chp s THR 92 Cb -0.03 -0.37 0.10 0.00 0.01 0.00 0.00 72.50 72.20 1chp s THR 92 CO 0.04 0.12 0.93 -0.81 -0.69 0.00 0.00 174.62 174.21 1chp n PRO 93 N 5.19 -0.24 -1.73 4.92 -0.04 -1.26 -5.06 135.00 136.78 1chp n PRO 93 Ca -0.08 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1chp n PRO 93 Cb 0.50 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.71 1chp n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1chp n HIS 94 N -3.78 2.81 -2.97 0.54 8.25 -1.18 -4.62 115.22 114.28 1chp n HIS 94 Ca 0.11 0.12 -0.40 0.00 -0.26 0.00 0.00 57.72 57.29 1chp n HIS 94 Cb 0.52 -2.65 -0.04 0.00 1.12 0.00 0.00 29.99 28.94 1chp n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1chp s ALA 95 N 0.69 3.33 0.20 -1.41 0.00 -1.14 -1.98 121.76 121.45 1chp s ALA 95 Ca 0.70 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1chp s ALA 95 Cb -0.50 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1chp s ALA 95 CO 0.39 -0.21 1.27 0.42 0.00 0.00 0.00 175.76 177.63 1chp s ILE 96 N 1.05 3.31 -0.10 0.00 1.01 -0.38 -0.48 121.20 125.60 1chp s ILE 96 Ca 0.40 1.09 0.02 0.00 0.00 0.00 0.00 60.65 62.16 1chp s ILE 96 Cb -0.18 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1chp s ILE 96 CO 0.19 0.17 -0.08 0.00 0.00 0.00 0.00 174.94 175.22 1chp n ALA 97 N 2.57 1.78 -3.01 9.38 0.00 0.19 -4.81 120.51 126.61 1chp n ALA 97 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1chp n ALA 97 Cb 0.43 0.24 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 1chp n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1chp s ALA 98 N -2.21 -0.91 -0.02 0.00 0.00 -1.00 -4.97 121.76 112.66 1chp s ALA 98 Ca -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1chp s ALA 98 Cb 0.03 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1chp s ALA 98 CO 0.25 -0.60 0.07 -1.50 0.00 0.00 0.00 175.76 173.99 1chp s ILE 99 N -3.54 0.03 -0.01 0.00 2.07 -1.26 -1.01 121.20 117.49 1chp s ILE 99 Ca 0.01 -0.28 0.06 0.00 -1.41 0.00 0.00 60.65 59.04 1chp s ILE 99 Cb 0.01 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 1chp s ILE 99 CO -0.10 -0.15 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.64 1chp s SER 100 N -0.47 2.30 -0.07 4.50 1.04 -0.47 -5.00 113.70 115.54 1chp s SER 100 Ca -0.05 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1chp s SER 100 Cb -0.03 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1chp s SER 100 CO 0.00 0.24 -0.16 -0.04 0.98 0.00 0.00 173.24 174.26 1chp s MET 101 N -0.47 2.01 -0.11 4.02 -1.94 -1.26 -0.78 119.30 120.76 1chp s MET 101 Ca 0.08 -0.56 -0.29 0.00 -1.71 0.00 0.00 55.69 53.21 1chp s MET 101 Cb -0.08 -1.63 0.07 0.00 2.01 0.00 0.00 34.83 35.20 1chp s MET 101 CO -0.01 0.11 0.68 0.00 -0.01 0.00 0.00 175.02 175.79 1chp s ALA 102 N 0.45 -1.74 -2.00 3.03 0.00 -1.23 -4.90 121.76 115.36 1chp s ALA 102 Ca -0.13 1.50 0.16 0.00 0.00 0.00 0.00 51.96 53.49 1chp s ALA 102 Cb -0.15 -0.34 0.13 0.00 0.00 0.00 0.00 23.12 22.75 1chp s ALA 102 CO 0.05 -0.36 1.01 0.09 0.00 0.00 0.00 175.76 176.55