#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llr n TYR 10 N 0.00 -0.46 -2.66 4.31 0.53 -1.26 -4.93 117.16 112.70 3llr n TYR 10 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.45 3llr n TYR 10 Cb 0.00 -3.38 0.00 0.00 -1.03 0.00 0.00 39.34 34.93 3llr n TYR 10 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3llr n GLU 11 N -2.62 3.24 0.00 -0.72 1.02 -1.26 -4.42 120.64 115.88 3llr n GLU 11 Ca -0.20 -3.41 0.00 0.00 -0.02 0.00 0.00 57.16 53.53 3llr n GLU 11 Cb 0.64 -3.38 0.00 0.00 -0.02 0.00 0.00 31.44 28.67 3llr n GLU 11 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3llr n ASP 12 N 7.67 0.42 0.00 1.62 3.85 -1.26 -5.02 116.55 123.84 3llr n ASP 12 Ca 0.46 -1.02 0.00 0.00 -0.71 0.00 0.00 54.79 53.52 3llr n ASP 12 Cb 0.45 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 3llr n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3llr n GLY 13 N -0.01 0.45 1.87 6.12 0.00 -1.26 -4.90 105.19 107.47 3llr n GLY 13 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3llr n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llr n ARG 14 N -2.01 2.80 0.00 1.61 1.74 -1.26 -5.06 116.66 114.48 3llr n ARG 14 Ca 0.00 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 3llr n ARG 14 Cb 0.10 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 3llr n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3llr n GLY 15 N -0.72 1.57 3.88 -0.13 0.00 -1.26 -4.93 105.19 103.61 3llr n GLY 15 Ca 0.46 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3llr n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3llr n PHE 16 N 4.02 -1.69 -1.53 1.61 3.01 -1.26 -4.96 117.46 116.66 3llr n PHE 16 Ca 0.00 0.53 -0.30 0.00 1.01 0.00 0.00 57.45 58.70 3llr n PHE 16 Cb 0.00 -3.45 0.10 0.00 -0.01 0.00 0.00 39.48 36.12 3llr n PHE 16 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3llr s GLY 17 N -3.92 1.61 0.16 1.37 0.00 -1.26 -4.94 107.32 100.36 3llr s GLY 17 Ca 0.25 -0.26 -0.34 0.00 0.00 0.00 0.00 44.72 44.37 3llr s GLY 17 CO 0.90 0.20 1.33 1.39 0.00 0.00 0.00 173.10 176.91 3llr n ILE 18 N -3.53 0.55 -0.01 0.90 5.41 -1.26 -2.27 119.36 119.15 3llr n ILE 18 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3llr n ILE 18 Cb 0.57 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 3llr n ILE 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3llr n GLY 19 N 2.39 0.65 3.74 7.39 0.00 0.24 -4.95 105.19 114.65 3llr n GLY 19 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3llr n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3llr s GLU 20 N -0.78 4.47 -0.12 1.61 2.02 -0.96 -4.52 118.70 120.41 3llr s GLU 20 Ca 0.00 1.90 -0.25 0.00 0.02 0.00 0.00 54.97 56.64 3llr s GLU 20 Cb 0.00 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 3llr s GLU 20 CO 0.00 -0.12 0.78 -0.51 0.02 0.00 0.00 175.26 175.43 3llr s LEU 21 N -0.18 4.24 0.21 1.80 1.43 -1.26 -1.35 118.68 123.57 3llr s LEU 21 Ca 0.54 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 3llr s LEU 21 Cb -0.33 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 3llr s LEU 21 CO 0.37 -0.28 -0.02 0.68 0.23 0.00 0.00 176.35 177.33 3llr s VAL 22 N 1.56 1.03 -0.15 -1.59 -7.23 0.11 -1.78 120.40 112.34 3llr s VAL 22 Ca 0.38 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 3llr s VAL 22 Cb -0.17 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 3llr s VAL 22 CO 0.16 -0.43 0.09 0.26 -0.31 0.00 0.00 175.10 174.86 3llr s TRP 23 N -3.42 3.37 -0.03 2.82 0.52 0.80 -0.69 118.94 122.30 3llr s TRP 23 Ca 0.25 0.28 0.04 0.00 0.02 0.00 0.00 56.10 56.69 3llr s TRP 23 Cb 0.05 -1.99 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 3llr s TRP 23 CO 0.06 0.42 -0.14 0.20 0.02 0.00 0.00 176.95 177.51 3llr s GLY 24 N -0.31 0.76 -0.29 0.98 0.00 0.17 -1.12 107.32 107.52 3llr s GLY 24 Ca 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 3llr s GLY 24 CO 0.01 -0.29 -0.01 1.25 0.00 0.00 0.00 173.10 174.07 3llr s LYS 25 N 0.03 2.64 0.01 2.90 2.47 -0.51 -1.69 119.74 125.60 3llr s LYS 25 Ca -0.02 -1.12 -0.01 0.00 -1.56 0.00 0.00 55.97 53.26 3llr s LYS 25 Cb -0.10 -3.15 -0.04 0.00 -1.46 0.00 0.00 37.83 33.08 3llr s LYS 25 CO 0.01 -0.53 0.12 -0.51 0.16 0.00 0.00 175.35 174.60 3llr s LEU 26 N 1.31 4.06 0.01 5.43 1.43 -1.26 -4.88 118.68 124.79 3llr s LEU 26 Ca -0.02 0.20 -0.33 0.00 -1.03 0.00 0.00 54.13 52.95 3llr s LEU 26 Cb -0.18 -2.45 -0.11 0.00 0.03 0.00 0.00 46.19 43.47 3llr s LEU 26 CO -0.02 0.25 1.86 -1.14 0.23 0.00 0.00 176.35 177.53 3llr n ARG 27 N 0.95 2.46 -0.32 1.70 3.00 -1.26 -1.36 116.66 121.82 3llr n ARG 27 Ca -0.11 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 3llr n ARG 27 Cb 0.52 -2.77 0.00 0.00 0.00 0.00 0.00 32.46 30.21 3llr n ARG 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3llr n GLY 28 N 4.28 0.70 3.37 5.14 0.00 -1.26 -5.06 105.19 112.36 3llr n GLY 28 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3llr n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3llr s PHE 29 N -2.67 1.92 0.75 1.61 0.08 -0.47 -5.14 117.98 114.06 3llr s PHE 29 Ca 0.00 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.47 3llr s PHE 29 Cb 0.00 -0.91 0.05 0.00 -0.57 0.00 0.00 43.02 41.58 3llr s PHE 29 CO 0.00 0.42 1.10 -1.12 -0.10 0.00 0.00 175.22 175.53 3llr s SER 30 N -3.00 4.55 0.15 1.36 0.01 -1.26 -4.51 113.70 111.00 3llr s SER 30 Ca 0.21 1.92 -0.34 0.00 1.31 0.00 0.00 55.95 59.04 3llr s SER 30 Cb -0.04 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.51 3llr s SER 30 CO 0.08 -2.00 1.56 0.79 0.41 0.00 0.00 173.24 174.08 3llr n TRP 31 N -3.23 2.19 -4.52 2.43 7.02 -1.26 -4.64 117.44 115.44 3llr n TRP 31 Ca 0.10 0.30 -0.21 0.00 -1.02 0.00 0.00 57.50 56.67 3llr n TRP 31 Cb 0.53 -2.52 -0.15 0.00 -2.42 0.00 0.00 31.31 26.74 3llr n TRP 31 CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 3llr s TRP 32 N 0.94 1.09 0.23 -5.99 -0.11 -0.68 -4.88 118.94 109.53 3llr s TRP 32 Ca 0.80 -0.23 -0.30 0.00 1.22 0.00 0.00 56.10 57.58 3llr s TRP 32 Cb -0.71 -0.72 -0.09 0.00 -1.50 0.00 0.00 33.47 30.44 3llr s TRP 32 CO 0.39 -0.05 1.32 -2.14 -4.62 0.00 0.00 176.95 171.85 3llr s PRO 33 N -0.12 4.38 0.27 5.86 0.02 -1.26 -0.66 135.00 143.48 3llr s PRO 33 Ca 0.02 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 3llr s PRO 33 Cb -0.06 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.31 3llr s PRO 33 CO -0.00 -0.25 0.42 0.41 -0.33 0.00 0.00 177.00 177.25 3llr n GLY 34 N 2.10 2.03 3.01 0.52 0.00 0.14 -1.63 105.19 111.34 3llr n GLY 34 Ca 0.05 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 3llr n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3llr s ARG 35 N -2.42 0.48 0.04 1.61 1.70 -0.20 -0.71 118.95 119.44 3llr s ARG 35 Ca 0.18 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 3llr s ARG 35 Cb -0.02 -0.37 -0.06 0.00 -0.57 0.00 0.00 34.95 33.94 3llr s ARG 35 CO 0.13 0.09 1.33 0.42 -1.08 0.00 0.00 175.30 176.19 3llr s ILE 36 N -0.70 3.75 0.24 4.99 -1.09 -0.45 -1.34 121.20 126.59 3llr s ILE 36 Ca -0.03 1.20 0.09 0.00 -2.23 0.00 0.00 60.65 59.68 3llr s ILE 36 Cb -0.06 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 3llr s ILE 36 CO 0.00 0.04 -0.16 0.68 -1.23 0.00 0.00 174.94 174.27 3llr s VAL 37 N 1.75 2.03 0.61 2.92 -7.23 -0.41 -0.59 120.40 119.48 3llr s VAL 37 Ca 0.62 -2.29 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 3llr s VAL 37 Cb -0.31 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 3llr s VAL 37 CO 0.27 -0.51 1.05 -0.55 -0.31 0.00 0.00 175.10 175.06 3llr s SER 38 N -3.40 5.76 0.49 4.85 0.15 -1.26 -4.28 113.70 116.01 3llr s SER 38 Ca 0.26 1.76 0.26 0.00 0.70 0.00 0.00 55.95 58.92 3llr s SER 38 Cb -0.02 -2.52 1.28 0.00 -1.71 0.00 0.00 66.02 63.05 3llr s SER 38 CO 0.10 -1.18 2.00 4.11 1.20 0.00 0.00 173.24 179.47 3llr h TRP 39 N 0.23 0.00 0.00 3.44 5.08 -1.94 -3.22 115.95 119.54 3llr h TRP 39 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3llr h TRP 39 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3llr h TRP 39 CO 0.60 0.16 0.00 0.11 -1.28 0.00 0.00 178.44 178.03 3llr h TRP 40 N 0.00 0.00 -0.02 0.12 5.08 -1.93 -2.28 115.95 116.92 3llr h TRP 40 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3llr h TRP 40 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 3llr h TRP 40 CO 0.00 0.00 -0.13 0.00 -1.28 0.00 0.00 178.44 177.03 3llr n MET 41 N -2.99 1.64 0.07 0.12 0.00 -1.21 -4.15 117.12 110.59 3llr n MET 41 Ca -0.01 -1.18 0.03 0.00 0.00 0.00 0.00 57.70 56.54 3llr n MET 41 Cb 0.21 -1.48 -0.05 0.00 0.00 0.00 0.00 33.22 31.91 3llr n MET 41 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3llr h THR 42 N 2.89 0.46 -0.01 3.17 1.35 -1.60 -3.48 112.91 115.70 3llr h THR 42 Ca 0.00 -1.84 -0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3llr h THR 42 Cb 0.70 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3llr h THR 42 CO 0.00 0.26 -0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3llr n GLY 43 N 1.33 0.40 0.00 5.82 0.00 -1.25 -5.00 105.19 106.49 3llr n GLY 43 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3llr n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llr n ARG 44 N -2.15 3.93 -3.59 1.61 3.00 -1.26 -5.15 116.66 113.04 3llr n ARG 44 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.64 3llr n ARG 44 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.55 3llr n ARG 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3llr s SER 45 N 0.18 5.47 0.32 0.55 0.01 -1.26 -4.92 113.70 114.05 3llr s SER 45 Ca 0.00 -0.45 -0.28 0.00 1.31 0.00 0.00 55.95 56.53 3llr s SER 45 Cb 0.00 -0.94 -0.13 0.00 0.21 0.00 0.00 66.02 65.16 3llr s SER 45 CO 0.00 -0.47 1.28 0.54 0.41 0.00 0.00 173.24 175.00 3llr n ARG 46 N -1.53 2.03 -2.20 12.44 1.74 -1.26 -4.92 116.66 122.97 3llr n ARG 46 Ca 0.01 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 3llr n ARG 46 Cb 0.60 -2.29 -0.03 0.00 -1.02 0.00 0.00 32.46 29.72 3llr n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3llr s ALA 47 N -0.93 3.50 0.94 7.54 0.00 -1.26 -5.00 121.76 126.56 3llr s ALA 47 Ca 0.58 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 3llr s ALA 47 Cb -0.59 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.21 3llr s ALA 47 CO 0.60 -0.54 1.02 0.00 0.00 0.00 0.00 175.76 176.85 3llr n ALA 48 N 1.63 -1.25 -1.69 0.00 0.00 -1.26 -4.86 120.51 113.08 3llr n ALA 48 Ca 0.03 -0.62 -0.44 0.00 0.00 0.00 0.00 53.44 52.41 3llr n ALA 48 Cb 0.42 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 3llr n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3llr n GLU 49 N -3.93 2.33 -1.09 0.00 4.71 -1.26 -2.05 120.64 119.35 3llr n GLU 49 Ca 0.11 0.84 -0.03 0.00 -0.01 0.00 0.00 57.16 58.06 3llr n GLU 49 Cb 0.52 -2.60 -0.01 0.00 -1.01 0.00 0.00 31.44 28.34 3llr n GLU 49 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3llr n GLY 50 N 3.03 0.63 3.33 0.62 0.00 -1.26 -5.04 105.19 106.50 3llr n GLY 50 Ca 0.14 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 3llr n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3llr s THR 51 N -2.11 1.14 0.03 2.61 -4.23 -0.87 -1.86 115.64 110.35 3llr s THR 51 Ca 0.00 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 3llr s THR 51 Cb 0.00 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 3llr s THR 51 CO 0.00 -0.38 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.48 3llr s ARG 52 N -3.83 0.62 -0.12 3.99 1.81 -0.05 -4.78 118.95 116.58 3llr s ARG 52 Ca 0.27 -0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.37 3llr s ARG 52 Cb 0.05 -0.51 -0.01 0.00 -0.45 0.00 0.00 34.95 34.03 3llr s ARG 52 CO 0.08 0.12 1.09 -1.58 -0.68 0.00 0.00 175.30 174.33 3llr s TRP 53 N -0.91 3.33 -0.06 -0.53 0.52 -1.26 -1.14 118.94 118.89 3llr s TRP 53 Ca -0.04 1.41 0.06 0.00 0.02 0.00 0.00 56.10 57.55 3llr s TRP 53 Cb -0.07 -3.30 -0.01 0.00 -1.15 0.00 0.00 33.47 28.94 3llr s TRP 53 CO 0.01 -0.70 -0.24 0.54 0.02 0.00 0.00 176.95 176.57 3llr s VAL 54 N 2.44 2.16 -0.25 4.03 0.11 -0.21 -1.29 120.40 127.38 3llr s VAL 54 Ca 0.50 -1.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.38 3llr s VAL 54 Cb -0.20 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 3llr s VAL 54 CO 0.16 0.57 0.34 -0.32 -3.33 0.00 0.00 175.10 172.52 3llr s MET 55 N -0.15 4.05 0.19 1.54 1.75 -0.45 -1.64 119.30 124.60 3llr s MET 55 Ca -0.04 0.01 -0.28 0.00 -1.25 0.00 0.00 55.69 54.14 3llr s MET 55 Cb -0.14 -3.62 -0.08 0.00 2.84 0.00 0.00 34.83 33.83 3llr s MET 55 CO 0.04 -0.18 0.87 -1.58 -0.65 0.00 0.00 175.02 173.52 3llr s TRP 56 N 1.76 3.93 0.78 4.11 0.52 -0.29 -1.03 118.94 128.72 3llr s TRP 56 Ca 0.14 1.78 -0.11 0.00 0.02 0.00 0.00 56.10 57.93 3llr s TRP 56 Cb -0.15 -2.90 0.06 0.00 -1.15 0.00 0.00 33.47 29.33 3llr s TRP 56 CO 0.09 0.45 1.09 -0.06 0.02 0.00 0.00 176.95 178.54 3llr s PHE 57 N -1.02 2.86 0.00 -1.98 0.40 -0.65 -1.27 117.98 116.31 3llr s PHE 57 Ca 0.39 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.98 3llr s PHE 57 Cb -0.24 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.23 3llr s PHE 57 CO 0.29 -1.67 0.00 0.41 0.70 0.00 0.00 175.22 174.95 3llr n GLY 58 N -1.95 2.07 0.00 4.36 0.00 -1.26 -4.42 105.19 103.98 3llr n GLY 58 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3llr n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3llr n ASP 59 N 3.73 0.36 -0.92 1.61 5.75 -1.26 -4.89 116.55 120.93 3llr n ASP 59 Ca 0.00 -0.67 -0.11 0.00 -0.01 0.00 0.00 54.79 54.00 3llr n ASP 59 Cb 0.00 0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 3llr n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3llr n GLY 60 N 0.41 0.85 3.78 6.12 0.00 -0.40 -5.01 105.19 110.93 3llr n GLY 60 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3llr n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3llr s LYS 61 N -3.35 2.93 -0.07 1.61 1.02 -1.25 -4.63 119.74 116.00 3llr s LYS 61 Ca 0.00 1.34 -0.02 0.00 0.02 0.00 0.00 55.97 57.32 3llr s LYS 61 Cb 0.00 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 3llr s LYS 61 CO 0.00 -1.14 0.02 -0.06 -0.92 0.00 0.00 175.35 173.25 3llr s PHE 62 N -2.37 3.20 -0.06 3.18 0.40 -1.26 -1.13 117.98 119.94 3llr s PHE 62 Ca 0.66 0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 57.12 3llr s PHE 62 Cb -0.19 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.57 3llr s PHE 62 CO 0.40 0.50 0.22 -1.12 0.70 0.00 0.00 175.22 175.92 3llr s SER 63 N -1.04 -0.17 -0.15 1.36 0.01 -0.65 -5.00 113.70 108.05 3llr s SER 63 Ca 0.15 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.40 3llr s SER 63 Cb -0.11 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 3llr s SER 63 CO 0.04 -0.18 0.96 -0.69 0.41 0.00 0.00 173.24 173.78 3llr s VAL 64 N -0.37 4.79 -0.06 3.43 1.01 -1.26 -1.05 120.40 126.90 3llr s VAL 64 Ca -0.05 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3llr s VAL 64 Cb -0.03 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.11 3llr s VAL 64 CO 0.01 -0.03 -0.10 -0.69 0.00 0.00 0.00 175.10 174.30 3llr s VAL 65 N 2.31 0.96 0.55 2.92 1.01 -0.29 -4.96 120.40 122.89 3llr s VAL 65 Ca 0.44 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 3llr s VAL 65 Cb -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3llr s VAL 65 CO 0.14 0.32 1.19 0.00 0.00 0.00 0.00 175.10 176.75 3llr h VAL 67 N 1.20 0.79 0.00 0.00 -1.51 -1.72 -0.37 116.25 114.64 3llr h VAL 67 Ca -0.50 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3llr h VAL 67 Cb 1.28 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3llr h VAL 67 CO 0.57 0.00 -0.00 -0.33 -1.23 0.00 0.00 177.57 176.57 3llr h GLU 68 N 0.00 0.00 -0.57 5.19 3.07 -1.91 -2.39 114.58 117.97 3llr h GLU 68 Ca 0.05 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.76 3llr h GLU 68 Cb 0.24 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.06 3llr h GLU 68 CO -0.00 0.00 0.15 1.63 -1.40 0.00 0.00 179.01 179.40 3llr n LYS 69 N -3.10 3.36 -4.82 2.33 4.76 -0.15 -4.94 118.16 115.60 3llr n LYS 69 Ca -0.00 -3.06 -0.27 0.00 -2.87 0.00 0.00 58.31 52.11 3llr n LYS 69 Cb 0.24 -2.09 -0.15 0.00 -1.84 0.00 0.00 35.03 31.20 3llr n LYS 69 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3llr s LEU 70 N -2.99 2.11 0.06 -0.35 1.43 -0.90 -1.42 118.68 116.63 3llr s LEU 70 Ca 0.51 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3llr s LEU 70 Cb 0.41 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 3llr s LEU 70 CO 0.11 0.21 -0.11 -0.04 0.23 0.00 0.00 176.35 176.74 3llr s MET 71 N -0.90 0.71 0.75 1.70 -1.94 -0.27 -4.99 119.30 114.35 3llr s MET 71 Ca 0.08 -0.90 -0.14 0.00 -1.71 0.00 0.00 55.69 53.02 3llr s MET 71 Cb -0.09 -0.58 0.05 0.00 2.01 0.00 0.00 34.83 36.22 3llr s MET 71 CO 0.01 0.12 1.17 -1.25 -0.01 0.00 0.00 175.02 175.05 3llr s PRO 72 N -1.79 2.13 0.50 2.03 0.04 -1.26 -0.14 135.00 136.51 3llr s PRO 72 Ca -0.04 1.59 0.21 0.00 0.04 0.00 0.00 61.00 62.80 3llr s PRO 72 Cb -0.09 -1.85 1.28 0.00 0.04 0.00 0.00 34.50 33.88 3llr s PRO 72 CO 0.01 -1.81 2.00 1.25 0.04 0.00 0.00 177.00 178.50 3llr h LEU 73 N -0.53 0.11 -2.17 -3.56 5.85 -1.63 -1.82 115.31 111.55 3llr h LEU 73 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3llr h LEU 73 Cb 1.27 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3llr h LEU 73 CO 0.50 0.06 0.00 0.77 -0.34 0.00 0.00 178.44 179.43 3llr h SER 74 N 0.12 0.00 -0.07 1.25 4.64 -1.90 -1.69 113.55 115.90 3llr h SER 74 Ca 0.25 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 3llr h SER 74 Cb 0.81 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 3llr h SER 74 CO -0.03 0.00 0.06 -1.20 -0.87 0.00 0.00 176.83 174.79 3llr n SER 75 N -2.81 4.96 -0.20 4.97 7.64 -0.69 -4.58 113.62 122.91 3llr n SER 75 Ca -0.02 -2.42 -0.06 0.00 1.01 0.00 0.00 58.87 57.39 3llr n SER 75 Cb 0.11 -0.98 0.04 0.00 -1.01 0.00 0.00 64.21 62.37 3llr n SER 75 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3llr h PHE 76 N 0.84 0.71 0.00 1.43 3.57 -1.53 -2.88 116.94 119.08 3llr h PHE 76 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3llr h PHE 76 Cb 1.02 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3llr h PHE 76 CO 0.27 0.43 -0.26 0.00 -2.23 0.00 0.00 178.31 176.52 3llr h SER 78 N 0.00 0.00 0.00 0.00 0.02 -1.89 -3.39 113.55 108.29 3llr h SER 78 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 3llr h SER 78 Cb 0.62 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 3llr h SER 78 CO 0.03 0.19 -2.08 0.00 -1.14 0.00 0.00 176.83 173.83 3llr n ALA 79 N -2.19 1.60 -2.02 3.77 0.00 -1.03 -4.98 120.51 115.66 3llr n ALA 79 Ca 0.01 -0.88 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 3llr n ALA 79 Cb 0.62 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 3llr n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3llr s PHE 80 N -2.38 3.28 -0.16 0.00 5.36 0.09 -4.73 117.98 119.44 3llr s PHE 80 Ca -0.21 1.24 -0.01 0.00 -0.96 0.00 0.00 56.93 57.00 3llr s PHE 80 Cb 0.06 -3.58 0.04 0.00 -0.34 0.00 0.00 43.02 39.20 3llr s PHE 80 CO 0.50 -1.80 -0.05 -1.01 -1.46 0.00 0.00 175.22 171.40 3llr s HIS 81 N 0.11 1.56 0.34 10.12 3.76 -1.26 -4.92 115.29 125.01 3llr s HIS 81 Ca 0.56 -0.97 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 3llr s HIS 81 Cb -0.36 -1.25 0.60 0.00 1.11 0.00 0.00 32.58 32.68 3llr s HIS 81 CO 0.38 -0.58 1.95 0.37 -0.85 0.00 0.00 174.74 176.00 3llr h GLN 82 N 8.15 0.73 -0.69 1.40 5.75 -1.99 -1.85 115.11 126.61 3llr h GLN 82 Ca -0.24 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.10 3llr h GLN 82 Cb 1.11 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 3llr h GLN 82 CO 0.39 0.57 0.14 0.00 -2.65 0.00 0.00 178.83 177.28 3llr h ALA 83 N 1.54 0.94 -0.46 3.38 0.00 -1.99 0.08 119.26 122.74 3llr h ALA 83 Ca 0.18 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3llr h ALA 83 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3llr h ALA 83 CO -0.02 0.67 0.00 1.15 0.00 0.00 0.00 179.25 181.05 3llr h THR 84 N 1.06 1.26 -0.49 0.00 2.02 -1.91 -2.97 112.91 111.88 3llr h THR 84 Ca 0.21 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.41 3llr h THR 84 Cb 0.41 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3llr h THR 84 CO 0.01 0.36 0.19 0.22 0.37 0.00 0.00 175.52 176.67 3llr h TYR 85 N 0.67 0.33 0.00 3.16 3.20 -1.03 -2.13 116.97 121.17 3llr h TYR 85 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3llr h TYR 85 Cb 0.50 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3llr h TYR 85 CO 0.04 0.12 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.61 3llr h ASN 86 N 0.37 0.00 0.11 -2.11 2.35 -0.85 -3.25 115.58 112.20 3llr h ASN 86 Ca 0.23 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.74 3llr h ASN 86 Cb 0.23 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 3llr h ASN 86 CO -0.23 0.16 -2.13 0.29 -1.65 0.00 0.00 177.43 173.87 3llr n LYS 87 N -4.02 0.67 -4.02 0.81 5.02 -1.09 -4.92 118.16 110.61 3llr n LYS 87 Ca -0.02 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 3llr n LYS 87 Cb 0.24 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 3llr n LYS 87 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3llr s GLN 88 N -2.82 2.26 0.42 1.97 -0.21 -0.82 -5.00 119.66 115.46 3llr s GLN 88 Ca -0.08 -1.35 0.10 0.00 0.02 0.00 0.00 55.36 54.05 3llr s GLN 88 Cb 0.09 -2.99 0.94 0.00 1.00 0.00 0.00 33.01 32.05 3llr s GLN 88 CO 0.85 -0.60 2.03 -1.35 -2.12 0.00 0.00 175.29 174.09 3llr h PRO 89 N 7.83 0.46 -0.03 2.91 0.11 -1.89 -2.53 132.00 138.86 3llr h PRO 89 Ca -0.19 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.73 3llr h PRO 89 Cb 1.05 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3llr h PRO 89 CO 0.48 0.31 -0.72 1.98 -0.21 0.00 0.00 178.00 179.84 3llr h MET 90 N 0.48 0.17 -0.43 1.05 4.05 -1.95 -1.62 114.93 116.67 3llr h MET 90 Ca 0.20 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3llr h MET 90 Cb 0.20 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3llr h MET 90 CO -0.05 0.82 0.17 -0.92 0.23 0.00 0.00 176.91 177.15 3llr h TYR 91 N 0.11 0.66 -0.68 1.39 3.20 -1.83 0.00 116.97 119.83 3llr h TYR 91 Ca -0.02 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.83 3llr h TYR 91 Cb 1.28 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3llr h TYR 91 CO 0.02 0.58 0.43 0.00 -1.64 0.00 0.00 178.16 177.55 3llr h ARG 92 N 0.56 0.81 -0.80 1.82 3.08 -1.31 -0.63 114.38 117.90 3llr h ARG 92 Ca 0.14 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3llr h ARG 92 Cb 0.20 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3llr h ARG 92 CO -0.01 0.53 0.33 -0.22 -1.07 0.00 0.00 179.97 179.53 3llr h LYS 93 N 0.83 1.19 -0.32 0.04 3.64 -1.11 -1.69 116.57 119.16 3llr h LYS 93 Ca 0.28 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3llr h LYS 93 Cb 0.03 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3llr h LYS 93 CO -0.11 0.96 0.02 0.00 -2.27 0.00 0.00 179.45 178.05 3llr h ALA 94 N 1.17 0.43 -0.25 5.00 0.00 -0.42 -1.53 119.26 123.67 3llr h ALA 94 Ca 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3llr h ALA 94 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3llr h ALA 94 CO -0.02 0.16 0.07 0.82 0.00 0.00 0.00 179.25 180.28 3llr h ILE 95 N 0.36 0.91 -0.21 0.00 1.08 -1.06 -1.43 117.51 117.16 3llr h ILE 95 Ca 0.09 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.56 3llr h ILE 95 Cb 0.41 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.82 3llr h ILE 95 CO 0.01 0.03 -0.16 0.22 -0.69 0.00 0.00 178.15 177.56 3llr h TYR 96 N 0.17 -0.42 -0.20 1.37 3.20 -1.19 -1.39 116.97 118.52 3llr h TYR 96 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3llr h TYR 96 Cb 0.09 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3llr h TYR 96 CO -0.14 -0.24 0.05 0.93 -1.64 0.00 0.00 178.16 177.13 3llr h GLU 97 N -0.17 0.32 -0.33 1.82 5.08 -1.14 -0.86 114.58 119.31 3llr h GLU 97 Ca 0.13 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3llr h GLU 97 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3llr h GLU 97 CO -0.31 0.44 -0.13 -0.24 -1.00 0.00 0.00 179.01 177.77 3llr h VAL 98 N 0.14 1.24 0.05 3.13 3.04 -1.17 -2.40 116.25 120.29 3llr h VAL 98 Ca 0.06 -1.09 -0.23 0.00 -1.01 0.00 0.00 66.70 64.44 3llr h VAL 98 Cb 0.26 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 3llr h VAL 98 CO 0.00 0.36 -1.03 -0.07 -1.01 0.00 0.00 177.57 175.82 3llr h LEU 99 N 0.52 0.25 -0.48 3.16 3.38 -1.18 -0.20 115.31 120.76 3llr h LEU 99 Ca 0.09 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3llr h LEU 99 Cb 0.54 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3llr h LEU 99 CO 0.03 1.13 0.29 1.56 0.09 0.00 0.00 178.44 181.54 3llr h GLN 100 N 0.07 0.56 -0.12 1.13 1.08 -1.05 0.13 115.11 116.92 3llr h GLN 100 Ca -0.07 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3llr h GLN 100 Cb 1.73 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 29.03 3llr h GLN 100 CO 0.16 0.37 -0.02 0.28 -0.95 0.00 0.00 178.83 178.67 3llr h VAL 101 N 0.58 1.28 -0.42 -0.54 2.07 -1.41 -2.16 116.25 115.65 3llr h VAL 101 Ca 0.19 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3llr h VAL 101 Cb 0.00 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3llr h VAL 101 CO -0.08 0.27 0.19 0.00 0.02 0.00 0.00 177.57 177.97 3llr h ALA 102 N 0.71 0.52 -0.06 1.67 0.00 -0.92 -2.14 119.26 119.04 3llr h ALA 102 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3llr h ALA 102 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3llr h ALA 102 CO 0.01 -0.18 -0.37 0.66 0.00 0.00 0.00 179.25 179.37 3llr h SER 103 N 0.38 0.13 -0.31 0.00 4.64 -0.74 -1.75 113.55 115.90 3llr h SER 103 Ca 0.19 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3llr h SER 103 Cb 0.13 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3llr h SER 103 CO -0.16 0.49 0.16 -1.28 -0.87 0.00 0.00 176.83 175.17 3llr h SER 104 N 0.11 0.40 -0.67 4.97 0.87 -1.00 -0.46 113.55 117.77 3llr h SER 104 Ca 0.01 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 3llr h SER 104 Cb 0.71 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3llr h SER 104 CO 0.05 0.40 0.13 0.03 -0.53 0.00 0.00 176.83 176.91 3llr h ARG 105 N 0.37 1.10 0.00 2.24 3.08 -1.12 -3.03 114.38 117.02 3llr h ARG 105 Ca 0.11 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3llr h ARG 105 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3llr h ARG 105 CO -0.02 0.99 0.00 0.00 -1.07 0.00 0.00 179.97 179.87 3llr h ALA 106 N 1.10 1.00 -1.40 0.04 0.00 -0.73 -3.46 119.26 115.81 3llr h ALA 106 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3llr h ALA 106 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3llr h ALA 106 CO 0.01 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.40 3llr n GLY 107 N 1.10 0.07 3.62 0.00 0.00 -0.39 -4.87 105.19 104.71 3llr n GLY 107 Ca 0.05 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3llr n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3llr s LYS 108 N -4.35 4.10 -0.16 1.61 2.47 -0.32 -5.04 119.74 118.04 3llr s LYS 108 Ca 0.00 0.51 -0.19 0.00 -1.56 0.00 0.00 55.97 54.73 3llr s LYS 108 Cb 0.00 -3.65 -0.03 0.00 -1.46 0.00 0.00 37.83 32.69 3llr s LYS 108 CO 0.00 -0.41 0.54 -0.51 0.16 0.00 0.00 175.35 175.13 3llr s LEU 109 N 2.48 4.20 -0.25 5.43 1.02 -1.26 -4.60 118.68 125.70 3llr s LEU 109 Ca 0.25 0.78 0.03 0.00 0.02 0.00 0.00 54.13 55.21 3llr s LEU 109 Cb -0.15 -2.76 0.05 0.00 0.02 0.00 0.00 46.19 43.35 3llr s LEU 109 CO 0.09 -0.13 -0.12 -0.36 0.02 0.00 0.00 176.35 175.84 3llr s PHE 110 N 1.31 3.17 0.38 0.29 0.40 -1.26 -5.11 117.98 117.15 3llr s PHE 110 Ca 0.26 -2.20 -0.28 0.00 -0.60 0.00 0.00 56.93 54.11 3llr s PHE 110 Cb -0.16 -1.92 -0.11 0.00 0.51 0.00 0.00 43.02 41.35 3llr s PHE 110 CO 0.10 -0.87 1.46 -1.25 0.70 0.00 0.00 175.22 175.37 3llr s PRO 111 N 1.14 4.10 -0.15 0.24 0.04 -1.26 -4.96 135.00 134.15 3llr s PRO 111 Ca -0.07 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 3llr s PRO 111 Cb -0.19 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3llr s PRO 111 CO -0.06 -0.52 1.14 0.08 0.04 0.00 0.00 177.00 177.67 3llr s VAL 112 N -1.13 4.49 -0.01 -0.36 1.01 -1.26 -4.95 120.40 118.18 3llr s VAL 112 Ca 0.53 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 64.05 3llr s VAL 112 Cb -0.45 -4.15 -0.19 0.00 0.00 0.00 0.00 36.38 31.58 3llr s VAL 112 CO 0.61 -0.09 1.28 0.00 0.00 0.00 0.00 175.10 176.90 3llr s HIS 114 N -4.24 2.12 -0.06 0.00 3.76 -1.26 -4.97 115.29 110.64 3llr s HIS 114 Ca -0.16 -1.81 0.15 0.00 -0.15 0.00 0.00 55.06 53.10 3llr s HIS 114 Cb 0.02 -1.76 0.29 0.00 1.11 0.00 0.00 32.58 32.24 3llr s HIS 114 CO 0.69 -0.82 1.13 -0.40 -0.85 0.00 0.00 174.74 174.49 3llr n ASP 115 N 4.74 1.03 0.09 1.40 5.75 -1.26 -4.41 116.55 123.88 3llr n ASP 115 Ca -0.05 -2.50 -0.23 0.00 -0.01 0.00 0.00 54.79 52.00 3llr n ASP 115 Cb 0.43 -0.33 -0.15 0.00 -1.03 0.00 0.00 41.12 40.04 3llr n ASP 115 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3llr h SER 116 N 0.59 0.64 -4.05 -1.12 4.64 -1.93 -3.48 113.55 108.84 3llr h SER 116 Ca -0.09 -0.92 -0.41 0.00 -0.47 0.00 0.00 61.79 59.89 3llr h SER 116 Cb 1.47 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 63.21 3llr h SER 116 CO 0.04 1.62 -0.60 -1.81 -0.87 0.00 0.00 176.83 175.21 3llr s ASP 117 N -7.29 1.70 0.06 4.97 -0.00 -1.26 -5.02 116.67 109.84 3llr s ASP 117 Ca -0.13 -1.42 -0.19 0.00 -0.00 0.00 0.00 52.55 50.81 3llr s ASP 117 Cb 0.03 0.14 -0.11 0.00 -0.00 0.00 0.00 42.92 42.98 3llr s ASP 117 CO 0.87 -0.73 1.40 -0.08 -0.00 0.00 0.00 175.17 176.64 3llr h GLU 118 N 2.24 0.46 0.00 8.23 4.81 -1.98 -3.07 114.58 125.27 3llr h GLU 118 Ca -0.38 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 3llr h GLU 118 Cb 1.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3llr h GLU 118 CO 0.62 0.77 0.00 0.66 -0.73 0.00 0.00 179.01 180.33 3llr h SER 119 N 0.15 0.00 1.16 1.04 4.64 -2.01 -2.59 113.55 115.94 3llr h SER 119 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3llr h SER 119 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3llr h SER 119 CO 0.04 0.00 0.00 -0.78 -0.87 0.00 0.00 176.83 175.22 3llr h ASP 120 N 0.00 0.00 -0.66 4.97 3.58 -1.90 -3.10 116.42 119.31 3llr h ASP 120 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 3llr h ASP 120 Cb 0.48 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.46 3llr h ASP 120 CO 0.00 0.00 0.14 0.35 -2.88 0.00 0.00 179.24 176.85 3llr n THR 121 N -2.76 2.86 -0.24 2.25 -2.24 -0.98 -4.65 114.28 108.52 3llr n THR 121 Ca 0.02 -1.55 -0.06 0.00 -2.27 0.00 0.00 64.05 60.19 3llr n THR 121 Cb 0.34 -0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.29 3llr n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3llr h ALA 122 N 3.26 0.85 -0.90 6.98 0.00 -1.69 -3.10 119.26 124.66 3llr h ALA 122 Ca 0.14 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.38 3llr h ALA 122 Cb 2.17 -0.27 -0.41 0.00 0.00 0.00 0.00 17.79 19.28 3llr h ALA 122 CO 0.62 0.34 -0.57 0.36 0.00 0.00 0.00 179.25 180.00 3llr n LYS 123 N -4.55 3.46 -0.18 0.00 2.85 -1.26 -4.77 118.16 113.71 3llr n LYS 123 Ca 0.05 -4.11 0.02 0.00 -1.05 0.00 0.00 58.31 53.22 3llr n LYS 123 Cb 0.07 -2.28 0.29 0.00 -0.65 0.00 0.00 35.03 32.46 3llr n LYS 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3llr h ALA 124 N 2.24 1.53 0.55 0.58 0.00 -1.86 -2.84 119.26 119.47 3llr h ALA 124 Ca 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3llr h ALA 124 Cb 1.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3llr h ALA 124 CO 0.88 0.43 -0.39 0.28 0.00 0.00 0.00 179.25 180.45 3llr h VAL 125 N 0.91 0.22 -0.14 0.00 2.07 -1.86 0.67 116.25 118.11 3llr h VAL 125 Ca 0.26 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 3llr h VAL 125 Cb -0.07 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3llr h VAL 125 CO -0.06 0.00 -0.13 -0.33 0.02 0.00 0.00 177.57 177.07 3llr h GLU 126 N -0.91 0.22 0.00 1.57 5.08 -1.93 -2.39 114.58 116.23 3llr h GLU 126 Ca -0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3llr h GLU 126 Cb 0.76 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3llr h GLU 126 CO 0.04 0.37 -0.17 0.28 -1.00 0.00 0.00 179.01 178.52 3llr h VAL 127 N 0.21 1.60 -0.07 3.13 2.07 -1.38 -3.36 116.25 118.45 3llr h VAL 127 Ca 0.04 -2.26 -0.06 0.00 0.82 0.00 0.00 66.70 65.24 3llr h VAL 127 Cb 0.37 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3llr h VAL 127 CO 0.02 0.54 -0.25 1.56 0.02 0.00 0.00 177.57 179.46 3llr h GLN 128 N -1.00 0.12 -0.14 1.57 1.08 -0.90 -3.10 115.11 112.74 3llr h GLN 128 Ca -0.05 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3llr h GLN 128 Cb 1.00 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 3llr h GLN 128 CO -0.03 0.37 -0.03 -0.91 -0.95 0.00 0.00 178.83 177.27 3llr h ASN 129 N 0.11 0.19 0.44 1.46 -0.26 -1.57 -3.28 115.58 112.66 3llr h ASN 129 Ca 0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3llr h ASN 129 Cb 0.51 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 3llr h ASN 129 CO 0.04 0.26 -0.29 0.11 -1.06 0.00 0.00 177.43 176.48 3llr h LYS 130 N 0.20 -0.69 0.00 0.81 1.57 -1.68 0.30 116.57 117.08 3llr h LYS 130 Ca 0.05 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3llr h LYS 130 Cb 0.20 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3llr h LYS 130 CO 0.01 -0.46 -0.30 -1.00 -0.57 0.00 0.00 179.45 177.13 3llr h PRO 131 N -0.71 0.00 -0.44 3.15 0.13 -1.79 -2.14 132.00 130.20 3llr h PRO 131 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 3llr h PRO 131 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3llr h PRO 131 CO 0.03 0.30 -0.25 0.52 -0.23 0.00 0.00 178.00 178.38 3llr h MET 132 N 0.00 0.95 -0.38 0.86 2.86 -1.48 -0.37 114.93 117.37 3llr h MET 132 Ca -0.00 -0.43 -0.09 0.00 -2.06 0.00 0.00 59.70 57.12 3llr h MET 132 Cb 0.54 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3llr h MET 132 CO 0.04 1.09 -0.11 0.82 1.06 0.00 0.00 176.91 179.81 3llr h ILE 133 N 0.78 1.28 -0.92 -1.22 2.04 -0.33 -0.54 117.51 118.60 3llr h ILE 133 Ca 0.09 -1.20 0.09 0.00 1.00 0.00 0.00 64.86 64.84 3llr h ILE 133 Cb 0.83 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 3llr h ILE 133 CO 0.07 0.40 0.56 -0.33 0.00 0.00 0.00 178.15 178.85 3llr h GLU 134 N 0.55 0.92 -0.27 2.37 5.08 -1.31 0.32 114.58 122.24 3llr h GLU 134 Ca 0.09 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3llr h GLU 134 Cb 0.64 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3llr h GLU 134 CO 0.04 0.61 0.11 2.35 -1.00 0.00 0.00 179.01 181.12 3llr h TRP 135 N 0.95 0.41 -0.19 4.33 7.01 -0.75 -1.68 115.95 126.02 3llr h TRP 135 Ca 0.43 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.40 3llr h TRP 135 Cb 0.34 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 3llr h TRP 135 CO -0.03 0.41 0.11 0.00 -2.79 0.00 0.00 178.44 176.15 3llr h ALA 136 N 0.95 0.24 -0.22 2.65 0.00 -0.45 -0.56 119.26 121.87 3llr h ALA 136 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3llr h ALA 136 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3llr h ALA 136 CO -0.01 -0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 178.90 3llr h LEU 137 N 0.22 0.31 -0.09 0.00 3.38 -0.33 -2.51 115.31 116.29 3llr h LEU 137 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3llr h LEU 137 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3llr h LEU 137 CO -0.01 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.52 3llr n GLY 138 N -1.01 -0.90 0.55 0.83 0.00 -0.64 -4.87 105.19 99.15 3llr n GLY 138 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3llr n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llr n GLY 139 N 0.84 1.00 3.76 -0.02 0.00 -0.94 -4.36 105.19 105.46 3llr n GLY 139 Ca 0.15 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3llr n GLY 139 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3llr n PHE 140 N -2.17 -2.58 -2.16 1.61 3.01 -0.23 -4.09 117.46 110.84 3llr n PHE 140 Ca 0.00 0.96 -0.37 0.00 1.01 0.00 0.00 57.45 59.05 3llr n PHE 140 Cb 0.03 -4.51 0.00 0.00 -0.01 0.00 0.00 39.48 34.99 3llr n PHE 140 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3llr s GLN 141 N -6.45 3.62 0.12 -1.08 -1.52 -1.26 0.17 119.66 113.26 3llr s GLN 141 Ca 0.61 1.86 0.24 0.00 -1.95 0.00 0.00 55.36 56.12 3llr s GLN 141 Cb -0.29 -2.36 0.42 0.00 -0.22 0.00 0.00 33.01 30.55 3llr s GLN 141 CO 0.78 -0.69 1.38 -0.35 -0.25 0.00 0.00 175.29 176.16 3llr n PRO 142 N -0.62 0.27 0.02 2.91 -0.04 -1.26 -4.82 135.00 131.44 3llr n PRO 142 Ca 0.08 0.09 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 3llr n PRO 142 Cb 0.48 -1.68 0.16 0.00 -0.04 0.00 0.00 33.50 32.41 3llr n PRO 142 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3llr h SER 143 N 0.00 0.50 -3.12 3.54 4.64 -1.85 -3.50 113.55 113.75 3llr h SER 143 Ca 0.00 -0.20 0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3llr h SER 143 Cb 0.73 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3llr h SER 143 CO 0.00 0.81 -0.08 0.61 -0.87 0.00 0.00 176.83 177.29 3llr n GLY 144 N -0.19 -1.81 0.52 -0.77 0.00 0.13 -4.06 105.19 99.01 3llr n GLY 144 Ca -0.01 -1.30 0.34 0.00 0.00 0.00 0.00 46.02 45.05 3llr n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3llr h PRO 145 N 0.00 0.02 -0.92 1.61 0.11 -1.83 -1.92 132.00 129.07 3llr h PRO 145 Ca 0.00 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.21 3llr h PRO 145 Cb 0.21 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.25 3llr h PRO 145 CO 0.00 0.01 0.59 0.87 -0.21 0.00 0.00 178.00 179.27 3llr h LYS 146 N 0.02 0.89 0.00 1.05 1.57 -1.96 -1.68 116.57 116.46 3llr h LYS 146 Ca 0.56 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3llr h LYS 146 Cb 2.18 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.29 3llr h LYS 146 CO -0.03 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 3llr n GLY 147 N -1.39 -1.07 0.02 3.86 0.00 -0.72 -2.97 105.19 102.91 3llr n GLY 147 Ca 0.16 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3llr n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3llr n LEU 148 N -1.94 0.59 -4.77 0.99 4.77 -0.63 -2.06 117.00 113.95 3llr n LEU 148 Ca 0.02 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 3llr n LEU 148 Cb 0.17 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3llr n LEU 148 CO 0.15 0.10 0.78 -1.61 -1.33 0.00 0.00 177.39 175.47 3llr s GLU 149 N -3.06 3.28 0.28 3.23 0.41 -1.16 -4.68 118.70 117.00 3llr s GLU 149 Ca 0.09 1.58 -0.30 0.00 -0.41 0.00 0.00 54.97 55.93 3llr s GLU 149 Cb 0.16 -2.00 -0.11 0.00 -1.78 0.00 0.00 34.13 30.41 3llr s GLU 149 CO 0.74 -0.90 1.54 -2.14 -0.49 0.00 0.00 175.26 174.00 3llr s PRO 150 N -3.40 4.17 0.00 0.39 0.02 -1.26 -4.98 135.00 129.95 3llr s PRO 150 Ca 0.72 2.48 0.29 0.00 0.02 0.00 0.00 61.00 64.51 3llr s PRO 150 Cb -0.23 -3.05 1.73 0.00 0.02 0.00 0.00 34.50 32.97 3llr s PRO 150 CO 0.29 -0.55 2.07 -0.35 -0.33 0.00 0.00 177.00 178.13