#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eef s PRO 2 N 0.00 2.41 -0.02 0.00 0.04 -1.26 -4.95 135.00 131.22 1eef s PRO 2 Ca 0.00 1.88 0.22 0.00 0.04 0.00 0.00 61.00 63.14 1eef s PRO 2 Cb 0.00 -1.85 -0.31 0.00 0.04 0.00 0.00 34.50 32.38 1eef s PRO 2 CO 0.00 -1.66 0.56 1.04 0.04 0.00 0.00 177.00 176.97 1eef n GLN 3 N -2.26 0.57 -4.20 4.56 1.13 -1.26 -4.94 117.38 110.98 1eef n GLN 3 Ca 0.14 -0.16 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 1eef n GLN 3 Cb 0.49 -1.53 -0.10 0.00 0.11 0.00 0.00 30.24 29.22 1eef n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1eef s THR 4 N -3.44 0.36 0.35 5.09 -4.23 -1.26 -5.04 115.64 107.47 1eef s THR 4 Ca -0.06 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1eef s THR 4 Cb 0.14 -2.12 0.17 0.00 1.34 0.00 0.00 72.50 72.03 1eef s THR 4 CO 0.90 -0.43 1.90 -0.29 -0.54 0.00 0.00 174.62 176.16 1eef h ILE 5 N 2.76 1.18 -0.44 2.99 2.10 -1.96 -1.58 117.51 122.56 1eef h ILE 5 Ca -0.36 -0.72 -0.12 0.00 1.08 0.00 0.00 64.86 64.74 1eef h ILE 5 Cb 1.21 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1eef h ILE 5 CO 0.61 0.25 -0.19 0.74 -1.08 0.00 0.00 178.15 178.47 1eef h THR 6 N 0.45 1.27 -0.09 2.19 2.02 -1.99 0.38 112.91 117.15 1eef h THR 6 Ca 0.10 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1eef h THR 6 Cb 0.30 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1eef h THR 6 CO 0.01 0.45 0.06 -0.33 0.37 0.00 0.00 175.52 176.08 1eef h GLU 7 N 0.73 0.12 -0.09 6.66 5.08 -1.86 -1.75 114.58 123.47 1eef h GLU 7 Ca 0.10 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1eef h GLU 7 Cb 0.76 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1eef h GLU 7 CO 0.06 0.09 0.00 1.25 -1.00 0.00 0.00 179.01 179.41 1eef h LEU 8 N 0.11 -0.03 -0.87 1.33 6.46 -1.15 -2.82 115.31 118.34 1eef h LEU 8 Ca 0.03 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 57.97 1eef h LEU 8 Cb -0.00 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 39.86 1eef h LEU 8 CO -0.01 -0.00 0.44 0.00 -0.62 0.00 0.00 178.44 178.26 1eef h SER 10 N 0.60 0.00 1.15 0.00 0.02 -1.06 -2.11 113.55 112.15 1eef h SER 10 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1eef h SER 10 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1eef h SER 10 CO -0.39 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.68 1eef n GLU 11 N -2.36 0.17 -4.24 3.45 1.02 -0.32 -4.85 120.64 113.52 1eef n GLU 11 Ca -0.00 0.22 -0.26 0.00 -0.02 0.00 0.00 57.16 57.10 1eef n GLU 11 Cb 0.12 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 1eef n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1eef s TYR 12 N -3.12 2.78 0.44 -0.32 1.51 -0.80 -5.13 117.35 112.72 1eef s TYR 12 Ca 0.10 -0.17 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1eef s TYR 12 Cb 0.13 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 1eef s TYR 12 CO 0.51 0.54 0.78 1.03 -1.11 0.00 0.00 175.55 177.30 1eef s ARG 13 N -3.12 3.65 -1.63 -0.62 0.52 -1.26 -4.28 118.95 112.20 1eef s ARG 13 Ca 0.28 0.33 -0.03 0.00 -0.52 0.00 0.00 55.73 55.79 1eef s ARG 13 Cb -0.08 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.01 1eef s ARG 13 CO 0.18 -0.13 0.33 0.09 0.02 0.00 0.00 175.30 175.80 1eef n ASN 14 N -1.80 -5.91 -4.40 0.23 5.03 -1.26 -4.95 115.26 102.21 1eef n ASN 14 Ca 0.01 -0.16 -0.20 0.00 0.87 0.00 0.00 54.58 55.10 1eef n ASN 14 Cb 0.55 -4.84 -0.10 0.00 -1.02 0.00 0.00 39.78 34.36 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1eef s THR 15 N -3.10 1.69 0.05 3.41 -4.23 -1.26 -0.09 115.64 112.12 1eef s THR 15 Ca 0.17 -2.16 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1eef s THR 15 Cb -0.08 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.52 1eef s THR 15 CO 0.21 -0.40 0.67 0.00 -0.54 0.00 0.00 174.62 174.56 1eef s GLN 16 N -3.70 1.14 -0.16 3.99 -2.07 -0.67 -4.85 119.66 113.34 1eef s GLN 16 Ca 0.27 -0.15 -0.12 0.00 -1.82 0.00 0.00 55.36 53.55 1eef s GLN 16 Cb 0.02 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.42 1eef s GLN 16 CO 0.10 -0.44 0.23 0.42 -1.32 0.00 0.00 175.29 174.28 1eef s ILE 17 N -2.60 5.35 -0.16 3.63 -1.09 -1.26 -1.32 121.20 123.74 1eef s ILE 17 Ca -0.04 0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1eef s ILE 17 Cb -0.01 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1eef s ILE 17 CO -0.03 0.45 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.75 1eef s TYR 18 N 0.11 2.94 -0.36 3.97 2.02 0.32 -4.97 117.35 121.38 1eef s TYR 18 Ca 0.14 -0.57 -0.21 0.00 -0.37 0.00 0.00 57.07 56.06 1eef s TYR 18 Cb -0.12 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1eef s TYR 18 CO 0.03 -0.23 0.65 0.99 -1.57 0.00 0.00 175.55 175.42 1eef s THR 19 N 0.66 4.88 -0.19 -0.71 2.01 -1.26 -0.97 115.64 120.06 1eef s THR 19 Ca -0.04 0.60 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 1eef s THR 19 Cb -0.15 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 1eef s THR 19 CO 0.02 -0.33 -0.20 -0.38 -0.69 0.00 0.00 174.62 173.04 1eef n ILE 20 N 5.61 1.48 -3.83 1.82 2.08 0.11 -5.00 119.36 121.63 1eef n ILE 20 Ca -0.01 0.06 -0.24 0.00 0.56 0.00 0.00 62.75 63.13 1eef n ILE 20 Cb 0.49 -2.25 0.01 0.00 -0.75 0.00 0.00 39.64 37.13 1eef n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1eef n ASN 21 N -4.48 -0.87 -3.50 4.38 5.15 0.12 -4.96 115.26 111.10 1eef n ASN 21 Ca -0.20 -0.91 -0.10 0.00 -0.60 0.00 0.00 54.58 52.76 1eef n ASN 21 Cb 0.51 -3.57 -0.03 0.00 -0.53 0.00 0.00 39.78 36.16 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1eef s ASP 22 N -4.33 -0.43 0.66 1.20 2.15 -0.74 -4.91 116.67 110.26 1eef s ASP 22 Ca 0.03 0.13 -0.11 0.00 0.43 0.00 0.00 52.55 53.02 1eef s ASP 22 Cb -0.01 0.43 -0.02 0.00 -0.30 0.00 0.00 42.92 43.01 1eef s ASP 22 CO 0.85 -0.64 1.05 -1.59 -0.17 0.00 0.00 175.17 174.67 1eef s LYS 23 N -2.76 3.29 0.22 4.34 -2.85 -1.26 -0.93 119.74 119.78 1eef s LYS 23 Ca 0.02 0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 55.37 1eef s LYS 23 Cb -0.01 -2.05 -0.09 0.00 -2.06 0.00 0.00 37.83 33.62 1eef s LYS 23 CO -0.06 -0.78 1.32 0.42 0.10 0.00 0.00 175.35 176.35 1eef s ILE 24 N -3.22 3.10 -0.12 3.79 1.01 -1.26 -4.72 121.20 119.79 1eef s ILE 24 Ca 0.56 0.93 -0.22 0.00 0.00 0.00 0.00 60.65 61.92 1eef s ILE 24 Cb -0.11 -3.59 -0.27 0.00 0.01 0.00 0.00 42.46 38.50 1eef s ILE 24 CO 0.53 0.15 0.66 0.25 0.00 0.00 0.00 174.94 176.53 1eef h LEU 25 N 5.13 0.23 -8.17 2.97 5.85 -0.50 -3.48 115.31 117.34 1eef h LEU 25 Ca -0.45 -0.87 -0.21 0.00 0.84 0.00 0.00 57.88 57.19 1eef h LEU 25 Cb 1.22 -0.07 -0.19 0.00 0.37 0.00 0.00 40.66 41.98 1eef h LEU 25 CO 0.76 1.35 -0.71 -0.94 -0.34 0.00 0.00 178.44 178.56 1eef s SER 26 N -6.74 0.66 -0.05 1.25 1.04 -1.04 -4.97 113.70 103.85 1eef s SER 26 Ca -0.19 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1eef s SER 26 Cb 0.01 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1eef s SER 26 CO 0.73 -0.34 -0.11 -0.47 0.98 0.00 0.00 173.24 174.03 1eef s TYR 27 N -2.20 1.31 -0.04 5.02 5.04 -1.26 -2.02 117.35 123.19 1eef s TYR 27 Ca -0.05 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.17 1eef s TYR 27 Cb -0.04 -0.96 0.01 0.00 0.35 0.00 0.00 41.96 41.31 1eef s TYR 27 CO -0.03 -0.22 -0.11 0.99 -1.34 0.00 0.00 175.55 174.85 1eef s THR 28 N 0.53 0.95 -0.03 4.34 2.01 0.16 -5.00 115.64 118.59 1eef s THR 28 Ca -0.11 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1eef s THR 28 Cb -0.14 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1eef s THR 28 CO 0.03 0.30 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.51 1eef s GLU 29 N 0.38 0.68 -0.04 4.92 2.12 -1.26 -0.79 118.70 124.70 1eef s GLU 29 Ca -0.07 -0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1eef s GLU 29 Cb -0.12 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 33.57 1eef s GLU 29 CO 0.02 -0.03 -0.18 0.45 -0.54 0.00 0.00 175.26 174.97 1eef s SER 30 N 0.66 2.24 -0.04 -1.70 0.15 -0.33 -4.99 113.70 109.69 1eef s SER 30 Ca -0.08 -0.36 0.11 0.00 0.70 0.00 0.00 55.95 56.31 1eef s SER 30 Cb -0.12 -0.52 0.31 0.00 -1.71 0.00 0.00 66.02 63.99 1eef s SER 30 CO -0.00 0.18 1.25 1.15 1.20 0.00 0.00 173.24 177.02 1eef n MET 31 N 2.98 2.84 -2.16 5.44 0.00 -1.26 -2.46 117.12 122.50 1eef n MET 31 Ca -0.17 -2.17 -0.40 0.00 0.00 0.00 0.00 57.70 54.96 1eef n MET 31 Cb 0.53 -1.36 -0.02 0.00 0.00 0.00 0.00 33.22 32.36 1eef n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1eef s ALA 32 N -1.46 3.45 0.04 3.17 0.00 -1.26 -4.83 121.76 120.87 1eef s ALA 32 Ca 0.24 1.20 -0.36 0.00 0.00 0.00 0.00 51.96 53.04 1eef s ALA 32 Cb 0.16 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 1eef s ALA 32 CO 0.12 -0.59 1.50 0.41 0.00 0.00 0.00 175.76 177.20 1eef n GLY 33 N 0.82 0.78 2.75 0.00 0.00 -1.26 -0.90 105.19 107.38 1eef n GLY 33 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1eef n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eef n LYS 34 N 3.48 -0.45 -1.59 1.61 4.76 -1.26 -4.80 118.16 119.91 1eef n LYS 34 Ca 0.19 0.11 0.02 0.00 -2.87 0.00 0.00 58.31 55.77 1eef n LYS 34 Cb 0.22 -3.54 0.06 0.00 -1.84 0.00 0.00 35.03 29.92 1eef n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1eef n ARG 35 N -1.71 0.75 -2.22 1.97 3.00 -0.08 -4.99 116.66 113.38 1eef n ARG 35 Ca 0.00 -2.60 -0.32 0.00 -0.01 0.00 0.00 57.85 54.93 1eef n ARG 35 Cb 0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 32.46 31.86 1eef n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1eef s GLU 36 N -1.40 2.91 0.37 5.56 8.01 -1.11 -4.35 118.70 128.68 1eef s GLU 36 Ca 0.34 -0.60 -0.04 0.00 0.01 0.00 0.00 54.97 54.69 1eef s GLU 36 Cb 0.38 -5.17 0.02 0.00 -4.31 0.00 0.00 34.13 25.04 1eef s GLU 36 CO -0.12 -3.00 0.55 0.00 0.01 0.00 0.00 175.26 172.70 1eef s MET 37 N 6.31 2.04 -0.00 1.61 0.23 -1.03 -4.13 119.30 124.32 1eef s MET 37 Ca 0.62 -1.76 0.02 0.00 -1.03 0.00 0.00 55.69 53.54 1eef s MET 37 Cb -0.04 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.73 1eef s MET 37 CO -0.03 -0.87 -0.08 0.08 -2.03 0.00 0.00 175.02 172.09 1eef s VAL 38 N -2.76 0.59 -0.04 5.16 1.01 -1.22 -1.19 120.40 121.96 1eef s VAL 38 Ca 0.28 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1eef s VAL 38 Cb -0.02 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1eef s VAL 38 CO 0.20 0.12 -0.14 -0.63 0.00 0.00 0.00 175.10 174.65 1eef s ILE 39 N -0.28 1.20 0.12 2.22 1.01 0.03 -1.59 121.20 123.91 1eef s ILE 39 Ca 0.02 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1eef s ILE 39 Cb -0.03 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1eef s ILE 39 CO -0.00 0.35 -0.17 0.27 0.00 0.00 0.00 174.94 175.39 1eef s ILE 40 N 0.12 1.57 0.11 2.92 -4.36 -0.44 -0.66 121.20 120.45 1eef s ILE 40 Ca -0.04 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1eef s ILE 40 Cb -0.11 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1eef s ILE 40 CO 0.02 -0.25 -0.06 0.42 0.24 0.00 0.00 174.94 175.31 1eef s THR 41 N -1.68 0.73 0.24 8.37 -4.23 -0.86 -1.30 115.64 116.91 1eef s THR 41 Ca 0.09 -1.95 0.10 0.00 -1.18 0.00 0.00 61.69 58.75 1eef s THR 41 Cb -0.07 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.98 1eef s THR 41 CO 0.04 -0.83 -0.18 -0.36 -0.54 0.00 0.00 174.62 172.76 1eef s PHE 42 N -3.61 2.04 0.56 3.99 0.08 -0.70 0.29 117.98 120.63 1eef s PHE 42 Ca 0.13 -0.43 0.32 0.00 0.12 0.00 0.00 56.93 57.07 1eef s PHE 42 Cb 0.05 -0.92 1.46 0.00 -0.57 0.00 0.00 43.02 43.04 1eef s PHE 42 CO -0.04 0.55 1.83 -0.22 -0.10 0.00 0.00 175.22 177.24 1eef h LYS 43 N 2.48 0.00 0.00 0.44 3.64 -1.90 0.27 116.57 121.50 1eef h LYS 43 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1eef h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1eef h LYS 43 CO 0.60 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 1eef h SER 44 N 0.00 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 116.96 1eef h SER 44 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1eef h SER 44 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1eef h SER 44 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1eef n GLY 45 N -0.38 3.34 3.67 -0.77 0.00 0.95 -5.05 105.19 106.95 1eef n GLY 45 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1eef n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1eef n GLU 46 N -1.77 2.16 -4.98 1.61 1.02 -1.26 -4.70 120.64 112.72 1eef n GLU 46 Ca 0.00 0.78 -0.31 0.00 -0.02 0.00 0.00 57.16 57.61 1eef n GLU 46 Cb 0.00 -2.57 -0.14 0.00 -0.02 0.00 0.00 31.44 28.71 1eef n GLU 46 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 47 N 1.76 2.54 0.04 2.62 2.01 -1.26 -1.73 115.64 121.62 1eef s THR 47 Ca 0.83 -1.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1eef s THR 47 Cb -0.68 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1eef s THR 47 CO 0.42 0.50 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.46 1eef s PHE 48 N -0.75 0.40 0.15 4.92 0.08 -0.42 -3.83 117.98 118.53 1eef s PHE 48 Ca 0.12 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.40 1eef s PHE 48 Cb -0.10 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 1eef s PHE 48 CO 0.01 -0.30 -0.12 1.14 -0.10 0.00 0.00 175.22 175.85 1eef s GLN 49 N -2.85 1.10 -0.26 0.44 -2.07 -0.00 -1.33 119.66 114.68 1eef s GLN 49 Ca -0.03 -1.41 -0.06 0.00 -1.82 0.00 0.00 55.36 52.03 1eef s GLN 49 Cb 0.00 -0.79 -0.01 0.00 -1.09 0.00 0.00 33.01 31.12 1eef s GLN 49 CO -0.06 0.12 0.05 0.08 -1.32 0.00 0.00 175.29 174.16 1eef s VAL 50 N -2.92 3.98 0.77 3.63 1.01 -0.62 -0.86 120.40 125.39 1eef s VAL 50 Ca 0.15 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1eef s VAL 50 Cb -0.00 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.51 1eef s VAL 50 CO 0.02 0.26 1.18 -1.61 0.00 0.00 0.00 175.10 174.95 1eef s GLU 51 N 1.54 1.91 0.25 2.72 2.02 -1.26 -3.44 118.70 122.44 1eef s GLU 51 Ca 0.05 1.65 -0.30 0.00 0.02 0.00 0.00 54.97 56.39 1eef s GLU 51 Cb -0.16 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 1eef s GLU 51 CO 0.02 -1.99 1.47 0.08 0.02 0.00 0.00 175.26 174.86 1eef s VAL 52 N -2.22 2.57 0.25 2.63 1.01 -1.26 -4.89 120.40 118.48 1eef s VAL 52 Ca 0.71 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 1eef s VAL 52 Cb -0.26 -3.30 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1eef s VAL 52 CO 0.49 0.07 1.42 -2.65 0.00 0.00 0.00 175.10 174.43 1eef n PRO 53 N 2.42 2.12 -1.68 2.72 -0.02 -1.26 -4.95 135.00 134.36 1eef n PRO 53 Ca 0.07 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.30 1eef n PRO 53 Cb 0.40 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1eef n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eef n GLY 54 N 2.06 2.81 0.30 -1.23 0.00 -1.26 -5.02 105.19 102.85 1eef n GLY 54 Ca 0.11 -1.32 0.20 0.00 0.00 0.00 0.00 46.02 45.01 1eef n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1eef h SER 55 N 0.18 0.00 0.00 1.61 0.02 -2.03 -1.30 113.55 112.03 1eef h SER 55 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1eef h SER 55 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1eef h SER 55 CO 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 1eef n GLN 56 N -2.97 0.88 -4.66 3.45 0.00 -1.26 -4.74 117.38 108.08 1eef n GLN 56 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.65 1eef n GLN 56 Cb 0.12 -1.45 -0.12 0.00 0.00 0.00 0.00 30.24 28.79 1eef n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1eef s HIS 57 N -2.00 2.80 0.38 2.61 3.76 -0.49 -5.12 115.29 117.23 1eef s HIS 57 Ca 0.38 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 55.22 1eef s HIS 57 Cb 0.18 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 1eef s HIS 57 CO 0.29 0.29 0.58 0.96 -0.85 0.00 0.00 174.74 176.01 1eef s ILE 58 N -0.86 4.70 0.25 0.60 -4.36 -1.26 -4.90 121.20 115.37 1eef s ILE 58 Ca 0.14 -0.52 -0.09 0.00 -0.26 0.00 0.00 60.65 59.92 1eef s ILE 58 Cb -0.11 -3.71 0.34 0.00 1.25 0.00 0.00 42.46 40.23 1eef s ILE 58 CO 0.03 -0.46 1.60 0.44 0.24 0.00 0.00 174.94 176.79 1eef h ASP 59 N 0.66 -0.65 -0.04 4.36 3.32 -1.99 0.25 116.42 122.33 1eef h ASP 59 Ca -0.48 0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1eef h ASP 59 Cb 1.23 0.47 -0.00 0.00 0.22 0.00 0.00 39.33 41.25 1eef h ASP 59 CO 0.59 -0.26 0.13 0.77 -1.72 0.00 0.00 179.24 178.76 1eef h SER 60 N 0.02 0.00 1.23 6.45 4.64 -2.05 -1.55 113.55 122.29 1eef h SER 60 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1eef h SER 60 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1eef h SER 60 CO -0.81 0.00 -0.30 1.56 -0.87 0.00 0.00 176.83 176.41 1eef h GLN 61 N 0.00 0.00 -0.54 4.77 4.20 -0.88 -3.37 115.11 119.29 1eef h GLN 61 Ca 0.02 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1eef h GLN 61 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1eef h GLN 61 CO -0.00 0.00 0.28 0.87 -0.67 0.00 0.00 178.83 179.31 1eef h LYS 62 N 0.00 0.52 -0.07 1.46 1.57 -1.32 0.14 116.57 118.88 1eef h LYS 62 Ca 0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1eef h LYS 62 Cb 0.76 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1eef h LYS 62 CO 0.00 0.34 -0.63 0.87 -0.57 0.00 0.00 179.45 179.46 1eef h LYS 63 N 0.54 0.25 -0.48 3.15 1.57 -1.77 -2.92 116.57 116.89 1eef h LYS 63 Ca 0.24 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1eef h LYS 63 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1eef h LYS 63 CO -0.16 0.80 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 1eef h ALA 64 N 1.16 1.10 -0.39 3.86 0.00 -1.46 -1.10 119.26 122.43 1eef h ALA 64 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1eef h ALA 64 Cb 1.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1eef h ALA 64 CO 0.10 0.57 0.17 0.82 0.00 0.00 0.00 179.25 180.92 1eef h ILE 65 N 0.75 1.18 -0.77 0.00 2.04 -0.59 -1.71 117.51 118.40 1eef h ILE 65 Ca 0.15 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1eef h ILE 65 Cb 0.45 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1eef h ILE 65 CO 0.02 0.20 0.28 -0.33 0.00 0.00 0.00 178.15 178.32 1eef h GLU 66 N 0.49 1.17 -0.37 2.37 4.39 -1.27 -2.84 114.58 118.53 1eef h GLU 66 Ca 0.13 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1eef h GLU 66 Cb 0.15 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1eef h GLU 66 CO -0.01 0.96 0.16 -0.09 -1.16 0.00 0.00 179.01 178.87 1eef h ARG 67 N 1.13 0.54 -0.77 2.33 2.43 -1.07 -1.52 114.38 117.45 1eef h ARG 67 Ca 0.25 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1eef h ARG 67 Cb 0.25 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1eef h ARG 67 CO -0.02 0.50 0.46 1.98 -1.51 0.00 0.00 179.97 181.38 1eef h MET 68 N 0.45 0.82 -0.56 0.20 4.05 -1.22 0.23 114.93 118.89 1eef h MET 68 Ca 0.12 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 1eef h MET 68 Cb 0.15 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1eef h MET 68 CO -0.01 0.54 0.08 0.87 0.23 0.00 0.00 176.91 178.62 1eef h LYS 69 N 0.85 0.94 -0.39 0.39 1.57 -1.26 -0.71 116.57 117.96 1eef h LYS 69 Ca 0.34 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1eef h LYS 69 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1eef h LYS 69 CO -0.17 0.91 0.23 -0.44 -0.57 0.00 0.00 179.45 179.40 1eef h ASP 70 N 0.83 0.36 -0.38 0.86 3.32 -0.20 -1.66 116.42 119.54 1eef h ASP 70 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1eef h ASP 70 Cb 0.43 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1eef h ASP 70 CO 0.01 0.26 0.25 0.74 -1.72 0.00 0.00 179.24 178.79 1eef h THR 71 N 0.46 1.09 -0.78 0.35 2.02 -0.29 -2.23 112.91 113.53 1eef h THR 71 Ca 0.16 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1eef h THR 71 Cb 0.01 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1eef h THR 71 CO -0.08 0.09 0.42 -0.07 0.37 0.00 0.00 175.52 176.25 1eef h LEU 72 N 0.52 0.98 -0.24 2.58 3.38 -0.74 0.20 115.31 121.99 1eef h LEU 72 Ca 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1eef h LEU 72 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1eef h LEU 72 CO -0.03 0.80 0.11 -0.09 0.09 0.00 0.00 178.44 179.32 1eef h ARG 73 N 1.08 0.35 -0.12 1.13 2.43 -1.08 0.28 114.38 118.46 1eef h ARG 73 Ca 0.27 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1eef h ARG 73 Cb 0.05 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1eef h ARG 73 CO -0.04 0.37 -0.57 0.97 -1.51 0.00 0.00 179.97 179.18 1eef h ILE 74 N 0.25 1.35 -0.52 1.20 6.09 -1.20 -0.60 117.51 124.09 1eef h ILE 74 Ca 0.08 -1.88 -0.03 0.00 -1.37 0.00 0.00 64.86 61.67 1eef h ILE 74 Cb 0.13 1.89 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 1eef h ILE 74 CO -0.01 0.57 0.22 0.74 -3.07 0.00 0.00 178.15 176.60 1eef h THR 75 N 0.29 1.21 0.22 2.19 2.02 -0.46 -1.60 112.91 116.78 1eef h THR 75 Ca 0.00 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1eef h THR 75 Cb 1.09 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1eef h THR 75 CO 0.10 0.24 -0.10 0.22 0.37 0.00 0.00 175.52 176.35 1eef h TYR 76 N 0.69 -0.27 -0.08 3.16 3.20 -0.66 -1.77 116.97 121.24 1eef h TYR 76 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1eef h TYR 76 Cb 0.17 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1eef h TYR 76 CO 0.00 -0.09 0.06 -0.07 -1.64 0.00 0.00 178.16 176.43 1eef h LEU 77 N -0.40 0.00 -1.51 2.82 3.38 -0.97 -2.40 115.31 116.23 1eef h LEU 77 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1eef h LEU 77 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1eef h LEU 77 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1eef n THR 78 N -4.35 0.00 -3.28 0.22 -2.24 -0.61 -4.94 114.28 99.08 1eef n THR 78 Ca -0.01 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 1eef n THR 78 Cb 0.17 1.07 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1eef n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1eef n GLU 79 N 0.84 -5.61 -2.56 -0.78 1.02 -0.90 -4.93 120.64 107.72 1eef n GLU 79 Ca 0.16 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.71 1eef n GLU 79 Cb 0.49 -5.73 -0.03 0.00 -0.02 0.00 0.00 31.44 26.16 1eef n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 80 N -3.20 4.32 0.02 2.62 2.01 -0.71 -4.82 115.64 115.88 1eef s THR 80 Ca 0.42 1.74 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 1eef s THR 80 Cb -0.19 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.15 1eef s THR 80 CO 0.52 0.17 1.45 -0.75 -0.69 0.00 0.00 174.62 175.32 1eef s LYS 81 N 0.71 4.27 -0.08 4.92 2.20 -1.26 -4.34 119.74 126.16 1eef s LYS 81 Ca 0.54 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 58.02 1eef s LYS 81 Cb -0.26 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1eef s LYS 81 CO 0.30 -0.60 0.46 0.42 -0.36 0.00 0.00 175.35 175.57 1eef s ILE 82 N 2.38 5.12 0.00 5.43 1.01 -0.11 -3.40 121.20 131.62 1eef s ILE 82 Ca 0.66 0.94 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1eef s ILE 82 Cb -0.33 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1eef s ILE 82 CO 0.28 0.41 0.00 -0.67 0.00 0.00 0.00 174.94 174.95 1eef n ASP 83 N 3.07 0.00 -4.32 3.58 -0.08 0.28 0.15 116.55 119.24 1eef n ASP 83 Ca -0.09 0.30 -0.17 0.00 -1.51 0.00 0.00 54.79 53.32 1eef n ASP 83 Cb 0.52 -0.43 -0.10 0.00 2.34 0.00 0.00 41.12 43.45 1eef n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1eef s LYS 84 N -0.85 1.26 -0.06 -0.67 1.02 -1.14 0.09 119.74 119.39 1eef s LYS 84 Ca 0.00 -1.58 0.01 0.00 0.02 0.00 0.00 55.97 54.42 1eef s LYS 84 Cb 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 1eef s LYS 84 CO 0.00 0.07 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.92 1eef s LEU 85 N -3.27 1.34 -0.25 3.17 1.43 -0.14 -0.83 118.68 120.12 1eef s LEU 85 Ca 0.22 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1eef s LEU 85 Cb 0.02 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 1eef s LEU 85 CO 0.05 -0.05 0.24 0.00 0.23 0.00 0.00 176.35 176.82 1eef s VAL 87 N 1.38 1.08 -0.18 0.00 -7.23 -0.43 -0.19 120.40 114.83 1eef s VAL 87 Ca 0.10 -1.33 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 1eef s VAL 87 Cb -0.15 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 1eef s VAL 87 CO 0.07 -0.26 0.76 0.26 -0.31 0.00 0.00 175.10 175.62 1eef s TRP 88 N -1.39 3.40 -1.63 2.82 0.51 0.11 -1.67 118.94 121.10 1eef s TRP 88 Ca -0.01 1.14 0.14 0.00 -2.12 0.00 0.00 56.10 55.25 1eef s TRP 88 Cb -0.09 -2.94 0.47 0.00 -0.81 0.00 0.00 33.47 30.10 1eef s TRP 88 CO 0.02 -0.22 1.36 0.27 -0.51 0.00 0.00 176.95 177.88 1eef n ASN 89 N 5.16 3.06 -1.98 2.95 0.23 0.87 -2.19 115.26 123.37 1eef n ASN 89 Ca 0.02 -2.16 -0.05 0.00 -0.53 0.00 0.00 54.58 51.87 1eef n ASN 89 Cb 0.49 -0.41 0.31 0.00 -2.08 0.00 0.00 39.78 38.09 1eef n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1eef n ASN 90 N 0.83 4.87 -4.03 0.53 6.94 -1.26 -4.90 115.26 118.24 1eef n ASN 90 Ca 0.17 -3.15 -0.08 0.00 -0.02 0.00 0.00 54.58 51.51 1eef n ASN 90 Cb 0.54 -0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 37.12 1eef n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1eef s LYS 91 N -2.88 0.51 -0.12 -3.83 -0.14 -1.25 -5.09 119.74 106.95 1eef s LYS 91 Ca 0.53 -0.96 -0.00 0.00 -1.36 0.00 0.00 55.97 54.18 1eef s LYS 91 Cb 0.42 0.18 0.02 0.00 -1.68 0.00 0.00 37.83 36.78 1eef s LYS 91 CO 0.13 -0.10 -0.09 0.99 -0.76 0.00 0.00 175.35 175.53 1eef s THR 92 N -2.96 1.12 1.13 2.17 2.01 -1.26 -3.06 115.64 114.79 1eef s THR 92 Ca -0.02 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 1eef s THR 92 Cb 0.01 -1.11 0.26 0.00 0.01 0.00 0.00 72.50 71.66 1eef s THR 92 CO -0.06 0.38 1.05 -2.84 -0.69 0.00 0.00 174.62 172.46 1eef s PRO 93 N 1.61 -0.61 0.30 4.92 0.02 -1.26 -5.05 135.00 134.94 1eef s PRO 93 Ca 0.04 0.61 -0.30 0.00 0.02 0.00 0.00 61.00 61.37 1eef s PRO 93 Cb -0.13 -1.61 -0.12 0.00 0.02 0.00 0.00 34.50 32.67 1eef s PRO 93 CO -0.08 -3.46 1.54 0.09 -0.33 0.00 0.00 177.00 174.77 1eef n ASN 94 N -4.70 3.67 -4.71 2.53 5.03 -1.17 -4.52 115.26 111.40 1eef n ASN 94 Ca 0.04 1.16 -0.38 0.00 0.87 0.00 0.00 54.58 56.27 1eef n ASN 94 Cb 0.56 -1.57 -0.06 0.00 -1.02 0.00 0.00 39.78 37.69 1eef n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1eef s SER 95 N 0.33 6.65 -0.02 6.41 0.15 -0.93 -0.82 113.70 125.48 1eef s SER 95 Ca 0.62 0.78 -0.30 0.00 0.70 0.00 0.00 55.95 57.75 1eef s SER 95 Cb -0.51 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.47 1eef s SER 95 CO 0.52 -0.04 1.23 -0.63 1.20 0.00 0.00 173.24 175.51 1eef s ILE 96 N 0.87 4.13 -0.18 6.45 1.01 -0.04 0.08 121.20 133.52 1eef s ILE 96 Ca 0.26 1.48 0.06 0.00 0.00 0.00 0.00 60.65 62.45 1eef s ILE 96 Cb -0.15 -3.95 -0.15 0.00 0.01 0.00 0.00 42.46 38.21 1eef s ILE 96 CO 0.10 0.02 -0.08 0.00 0.00 0.00 0.00 174.94 174.98 1eef n ALA 97 N 4.96 1.59 -3.44 9.38 0.00 0.73 -4.89 120.51 128.85 1eef n ALA 97 Ca 0.11 -0.92 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 1eef n ALA 97 Cb 0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1eef n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eef s ALA 98 N -2.39 -1.35 -0.01 0.00 0.00 -0.89 -4.98 121.76 112.14 1eef s ALA 98 Ca -0.19 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 1eef s ALA 98 Cb 0.06 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1eef s ALA 98 CO 0.53 -0.81 0.11 -1.50 0.00 0.00 0.00 175.76 174.08 1eef s ILE 99 N -3.81 0.06 -0.01 0.00 2.07 -1.26 -1.32 121.20 116.93 1eef s ILE 99 Ca 0.04 -0.51 0.05 0.00 -1.41 0.00 0.00 60.65 58.82 1eef s ILE 99 Cb -0.02 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 1eef s ILE 99 CO -0.08 -0.28 -0.15 -0.94 -1.91 0.00 0.00 174.94 171.58 1eef s SER 100 N -0.95 1.77 -0.03 4.50 1.04 -0.01 -4.99 113.70 115.03 1eef s SER 100 Ca -0.10 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1eef s SER 100 Cb -0.06 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1eef s SER 100 CO 0.01 0.18 -0.18 -0.04 0.98 0.00 0.00 173.24 174.19 1eef s MET 101 N -0.40 1.69 -0.26 4.02 -1.94 -1.26 -0.56 119.30 120.60 1eef s MET 101 Ca 0.06 -0.63 -0.26 0.00 -1.71 0.00 0.00 55.69 53.15 1eef s MET 101 Cb -0.06 -1.52 0.10 0.00 2.01 0.00 0.00 34.83 35.36 1eef s MET 101 CO -0.00 0.30 0.90 0.21 -0.01 0.00 0.00 175.02 176.42 1eef s LYS 102 N -0.14 0.66 0.00 2.03 2.20 -1.22 -4.86 119.74 118.42 1eef s LYS 102 Ca 0.00 0.69 0.30 0.00 -0.36 0.00 0.00 55.97 56.60 1eef s LYS 102 Cb -0.10 0.32 1.43 0.00 -1.51 0.00 0.00 37.83 37.97 1eef s LYS 102 CO 0.01 -0.10 1.96 -1.71 -0.36 0.00 0.00 175.35 175.15