#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 4.79 -0.16 3.15 1.01 -1.25 0.15 120.40 128.09 1ivm s VAL 2 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1ivm s VAL 2 Cb 0.00 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1ivm s VAL 2 CO 0.00 0.53 0.42 -0.72 0.00 0.00 0.00 175.10 175.34 1ivm s TYR 3 N -0.27 -0.47 0.28 5.22 -0.85 0.68 -4.90 117.35 117.04 1ivm s TYR 3 Ca 0.08 1.14 0.09 0.00 -0.52 0.00 0.00 57.07 57.86 1ivm s TYR 3 Cb -0.12 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 1ivm s TYR 3 CO 0.02 -0.23 0.05 -1.83 -1.52 0.00 0.00 175.55 172.04 1ivm s GLU 4 N 0.28 2.41 0.13 -3.49 -1.05 -1.26 0.18 118.70 115.90 1ivm s GLU 4 Ca -0.00 -1.38 -0.22 0.00 -0.15 0.00 0.00 54.97 53.21 1ivm s GLU 4 Cb -0.03 -2.23 -0.02 0.00 -0.44 0.00 0.00 34.13 31.41 1ivm s GLU 4 CO -0.00 0.33 1.18 2.89 0.95 0.00 0.00 175.26 180.61 1ivm n ARG 5 N -0.98 -0.31 0.00 -4.83 1.85 -1.26 0.02 116.66 111.15 1ivm n ARG 5 Ca -0.06 1.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.94 1ivm n ARG 5 Cb 0.59 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ivm n GLU 7 N -1.05 -0.07 -0.25 0.00 -0.58 -0.59 0.13 120.64 118.24 1ivm n GLU 7 Ca 0.00 0.62 -0.04 0.00 -0.42 0.00 0.00 57.16 57.32 1ivm n GLU 7 Cb 0.00 -0.92 0.02 0.00 -0.57 0.00 0.00 31.44 29.98 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1ivm h PHE 8 N 0.00 -0.91 -0.34 -0.32 3.57 -0.27 0.32 116.94 118.98 1ivm h PHE 8 Ca 0.03 0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1ivm h PHE 8 Cb 0.07 0.50 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 1ivm h PHE 8 CO -0.52 -0.38 -0.18 0.00 -2.23 0.00 0.00 178.31 175.00 1ivm h ALA 9 N 1.16 0.07 0.40 2.41 0.00 0.60 0.74 119.26 124.64 1ivm h ALA 9 Ca 0.27 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ivm h ALA 9 Cb 0.56 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1ivm h ALA 9 CO -0.76 -0.56 -0.48 -0.09 0.00 0.00 0.00 179.25 177.36 1ivm h ARG 10 N -0.13 -0.87 -0.08 0.00 2.43 0.25 0.13 114.38 116.11 1ivm h ARG 10 Ca 0.17 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1ivm h ARG 10 Cb 0.40 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1ivm h ARG 10 CO -0.42 -0.58 -0.32 1.15 -1.51 0.00 0.00 179.97 178.28 1ivm h THR 11 N -0.91 0.29 -0.52 0.20 2.02 0.06 0.98 112.91 115.03 1ivm h THR 11 Ca -0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.23 1ivm h THR 11 Cb 0.82 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 67.41 1ivm h THR 11 CO -0.11 0.00 -0.32 0.25 0.37 0.00 0.00 175.52 175.71 1ivm h LEU 12 N -0.43 -1.11 -1.75 2.58 5.85 0.72 1.90 115.31 123.08 1ivm h LEU 12 Ca 0.08 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1ivm h LEU 12 Cb 0.55 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1ivm h LEU 12 CO -0.32 -0.31 -0.17 0.50 -0.34 0.00 0.00 178.44 177.81 1ivm h LYS 13 N -0.19 0.00 0.00 1.25 3.11 0.10 0.42 116.57 121.26 1ivm h LYS 13 Ca 0.21 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.00 1ivm h LYS 13 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1ivm h LYS 13 CO -0.62 0.17 -0.22 -0.09 -2.81 0.00 0.00 179.45 175.87 1ivm h ARG 14 N 0.00 0.00 0.14 1.90 2.43 0.91 -3.26 114.38 116.51 1ivm h ARG 14 Ca -0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1ivm h ARG 14 Cb 0.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ivm h ARG 14 CO 0.02 0.22 -1.90 -0.97 -1.51 0.00 0.00 179.97 175.83 1ivm h ASN 15 N 0.00 0.46 0.00 -3.80 -1.24 0.41 -3.49 115.58 107.91 1ivm h ASN 15 Ca -0.00 -0.94 0.00 0.00 0.71 0.00 0.00 56.30 56.07 1ivm h ASN 15 Cb 1.10 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.00 1ivm h ASN 15 CO 0.03 1.83 0.00 0.61 -1.29 0.00 0.00 177.43 178.61 1ivm n GLY 16 N 1.94 1.12 0.00 1.57 0.00 0.13 -5.04 105.19 104.91 1ivm n GLY 16 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ivm n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ivm n MET 17 N -0.03 1.79 -1.51 1.61 1.56 -0.46 -4.84 117.12 115.23 1ivm n MET 17 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.02 1ivm n MET 17 Cb 0.00 -1.00 -0.07 0.00 2.15 0.00 0.00 33.22 34.30 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ivm n ALA 18 N -2.26 0.72 -1.09 -5.12 0.00 -1.20 0.80 120.51 112.35 1ivm n ALA 18 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1ivm n ALA 18 Cb 0.50 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 6.26 1.09 2.99 0.00 0.00 -1.25 -4.65 105.19 109.63 1ivm n GLY 19 Ca 0.47 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -1.84 -2.01 -0.30 1.61 9.36 0.24 -4.74 117.16 119.48 1ivm n TYR 20 Ca 0.00 0.17 -0.07 0.00 3.32 0.00 0.00 57.90 61.32 1ivm n TYR 20 Cb 0.24 -1.40 -0.06 0.00 -0.63 0.00 0.00 39.34 37.50 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -4.09 -0.28 -0.01 2.98 4.02 -1.26 -4.03 117.16 114.50 1ivm n TYR 21 Ca 0.04 0.90 -0.02 0.00 -0.01 0.00 0.00 57.90 58.80 1ivm n TYR 21 Cb 0.35 -0.58 -0.01 0.00 -0.02 0.00 0.00 39.34 39.08 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ivm n GLY 22 N -1.20 -0.21 3.64 2.72 0.00 -1.26 -5.00 105.19 103.88 1ivm n GLY 22 Ca 0.02 -0.09 -0.57 0.00 0.00 0.00 0.00 46.02 45.38 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.39 0.10 -3.35 1.61 0.31 -1.26 -4.91 118.33 107.45 1ivm n VAL 23 Ca -0.04 -0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 63.92 1ivm n VAL 23 Cb 0.14 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.25 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ivm s SER 24 N 1.75 6.86 0.28 4.52 0.15 -1.26 -0.69 113.70 125.31 1ivm s SER 24 Ca 0.93 1.10 0.02 0.00 0.70 0.00 0.00 55.95 58.69 1ivm s SER 24 Cb -1.12 -2.30 0.69 0.00 -1.71 0.00 0.00 66.02 61.58 1ivm s SER 24 CO 0.60 0.13 1.65 0.25 1.20 0.00 0.00 173.24 177.07 1ivm h LEU 25 N 3.73 0.01 -0.70 3.45 5.85 -1.83 1.06 115.31 126.88 1ivm h LEU 25 Ca -0.49 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1ivm h LEU 25 Cb 1.20 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 1ivm h LEU 25 CO 0.65 -0.14 0.44 0.00 -0.34 0.00 0.00 178.44 179.05 1ivm h ALA 26 N 1.77 0.91 -0.55 1.25 0.00 -1.93 0.37 119.26 121.08 1ivm h ALA 26 Ca 0.54 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 1ivm h ALA 26 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ivm h ALA 26 CO -0.64 0.21 0.07 -0.44 0.00 0.00 0.00 179.25 178.45 1ivm h ASP 27 N 0.85 0.85 0.79 0.00 3.32 0.55 0.41 116.42 123.19 1ivm h ASP 27 Ca 0.28 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1ivm h ASP 27 Cb 0.02 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.35 1ivm h ASP 27 CO -0.11 0.87 -0.38 -0.50 -1.72 0.00 0.00 179.24 177.40 1ivm h TRP 28 N 0.84 -0.99 0.24 4.55 -0.00 0.11 0.69 115.95 121.39 1ivm h TRP 28 Ca 0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1ivm h TRP 28 Cb 0.40 0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.84 1ivm h TRP 28 CO 0.02 -0.61 -0.51 0.28 -0.00 0.00 0.00 178.44 177.62 1ivm h VAL 29 N -1.26 0.00 -0.76 1.49 2.07 -0.22 0.98 116.25 118.55 1ivm h VAL 29 Ca -0.11 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.58 1ivm h VAL 29 Cb 0.82 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.47 1ivm h VAL 29 CO 0.18 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.97 1ivm h LEU 31 N 0.28 -0.50 -1.93 0.00 5.85 0.19 0.30 115.31 119.51 1ivm h LEU 31 Ca 0.43 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.37 1ivm h LEU 31 Cb 0.75 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1ivm h LEU 31 CO -0.52 -0.31 0.58 0.00 -0.34 0.00 0.00 178.44 177.85 1ivm h ALA 32 N -1.62 2.47 0.16 1.25 0.00 0.18 0.96 119.26 122.65 1ivm h ALA 32 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ivm h ALA 32 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ivm h ALA 32 CO 0.05 -0.91 -0.08 0.37 0.00 0.00 0.00 179.25 178.68 1ivm h GLN 33 N 0.00 -0.21 0.00 0.00 4.15 0.27 0.54 115.11 119.86 1ivm h GLN 33 Ca 0.31 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 1ivm h GLN 33 Cb 1.46 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.19 1ivm h GLN 33 CO -0.00 0.18 -0.01 1.25 -1.93 0.00 0.00 178.83 178.31 1ivm h HIS 34 N -0.65 0.00 0.26 3.99 2.76 0.21 -3.27 115.15 118.45 1ivm h HIS 34 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1ivm h HIS 34 CO 0.06 0.01 -0.13 0.93 -1.30 0.00 0.00 177.93 177.50 1ivm h GLU 35 N 0.00 -0.34 0.00 5.26 4.39 0.94 -3.49 114.58 121.34 1ivm h GLU 35 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ivm h GLU 35 Cb 0.67 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1ivm h GLU 35 CO 0.00 -0.23 0.00 0.45 -1.16 0.00 0.00 179.01 178.07 1ivm n SER 36 N -4.48 0.00 -0.62 1.42 2.88 0.05 -4.86 113.62 108.01 1ivm n SER 36 Ca -0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.58 1ivm n SER 36 Cb 0.14 0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ivm n ASN 37 N -2.23 -3.72 0.00 -3.46 5.15 -0.42 -4.83 115.26 105.75 1ivm n ASN 37 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1ivm n ASN 37 Cb 0.00 -1.99 0.00 0.00 -0.53 0.00 0.00 39.78 37.26 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ivm n TYR 38 N -3.20 0.00 -3.09 1.20 4.01 0.48 -4.51 117.16 112.06 1ivm n TYR 38 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 1ivm n TYR 38 Cb 0.29 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 1ivm n TYR 38 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ivm s ASN 39 N -4.00 6.99 -1.54 7.72 2.20 -1.25 0.25 114.94 125.31 1ivm s ASN 39 Ca 0.00 1.19 -0.09 0.00 -0.94 0.00 0.00 52.86 53.02 1ivm s ASN 39 Cb 0.00 -2.40 -0.02 0.00 -2.00 0.00 0.00 41.25 36.82 1ivm s ASN 39 CO 0.00 -0.05 2.76 0.35 -2.94 0.00 0.00 177.10 177.22 1ivm n THR 40 N 3.45 4.51 1.18 0.54 -2.24 0.12 -4.39 114.28 117.46 1ivm n THR 40 Ca -0.03 -3.08 0.12 0.00 -2.27 0.00 0.00 64.05 58.80 1ivm n THR 40 Cb 0.51 -2.48 0.29 0.00 -2.10 0.00 0.00 70.33 66.56 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ivm n ARG 41 N 3.26 0.87 -1.53 -0.78 0.63 -1.26 -4.54 116.66 113.30 1ivm n ARG 41 Ca 0.73 -0.57 -0.25 0.00 -0.92 0.00 0.00 57.85 56.84 1ivm n ARG 41 Cb 0.25 -1.49 -0.12 0.00 0.45 0.00 0.00 32.46 31.54 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 42 N -0.57 0.65 -3.25 5.13 0.00 -1.26 -4.83 120.51 116.38 1ivm n ALA 42 Ca 0.11 -0.93 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 1ivm n ALA 42 Cb 0.37 -2.83 -0.15 0.00 0.00 0.00 0.00 19.45 16.85 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 8.91 -0.01 -0.30 0.00 -4.23 -1.26 0.07 115.64 118.83 1ivm s THR 43 Ca 1.13 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 61.75 1ivm s THR 43 Cb -0.56 -0.05 0.16 0.00 1.34 0.00 0.00 72.50 73.38 1ivm s THR 43 CO 0.34 0.04 0.39 0.21 -0.54 0.00 0.00 174.62 175.06 1ivm s ASN 44 N 0.45 0.64 0.25 3.99 2.47 0.37 -4.91 114.94 118.20 1ivm s ASN 44 Ca -0.04 -0.56 -0.12 0.00 0.42 0.00 0.00 52.86 52.56 1ivm s ASN 44 Cb -0.06 0.97 -0.08 0.00 -1.45 0.00 0.00 41.25 40.64 1ivm s ASN 44 CO -0.01 -0.35 0.62 -0.72 -3.72 0.00 0.00 177.10 172.92 1ivm s TYR 45 N 2.41 3.43 -0.29 0.43 -0.85 -1.26 0.21 117.35 121.43 1ivm s TYR 45 Ca 0.10 1.02 0.04 0.00 -0.52 0.00 0.00 57.07 57.71 1ivm s TYR 45 Cb -0.13 -2.37 0.20 0.00 0.38 0.00 0.00 41.96 40.04 1ivm s TYR 45 CO -0.28 0.23 0.63 -0.80 -1.52 0.00 0.00 175.55 173.81 1ivm s ASN 46 N -2.25 -1.50 0.16 -0.18 0.01 -0.11 -4.92 114.94 106.15 1ivm s ASN 46 Ca 0.49 0.24 0.07 0.00 -0.71 0.00 0.00 52.86 52.95 1ivm s ASN 46 Cb -0.11 1.98 -0.05 0.00 0.41 0.00 0.00 41.25 43.48 1ivm s ASN 46 CO 0.20 -0.28 1.37 -0.09 -1.51 0.00 0.00 177.10 176.79 1ivm h ARG 47 N 7.94 0.02 -1.34 -0.60 2.43 -1.95 0.21 114.38 121.09 1ivm h ARG 47 Ca -0.04 -0.03 0.42 0.00 -0.81 0.00 0.00 59.98 59.52 1ivm h ARG 47 Cb 1.19 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.66 1ivm h ARG 47 CO 0.14 0.90 0.92 0.41 -1.51 0.00 0.00 179.97 180.83 1ivm n GLY 48 N 1.03 -0.73 1.76 2.80 0.00 -1.26 0.20 105.19 108.98 1ivm n GLY 48 Ca -0.01 0.59 0.01 0.00 0.00 0.00 0.00 46.02 46.61 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -3.94 1.56 -3.93 1.61 -0.08 -1.24 -4.99 116.55 105.54 1ivm n ASP 49 Ca 0.34 -2.42 -0.26 0.00 -1.51 0.00 0.00 54.79 50.94 1ivm n ASP 49 Cb 1.43 -0.38 -0.07 0.00 2.34 0.00 0.00 41.12 44.44 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ivm n GLN 50 N -0.12 -0.88 -4.00 -0.67 -0.06 0.53 -4.90 117.38 107.28 1ivm n GLN 50 Ca 0.11 0.05 -0.11 0.00 -2.00 0.00 0.00 57.00 55.05 1ivm n GLN 50 Cb 0.98 -2.63 -0.12 0.00 -4.06 0.00 0.00 30.24 24.41 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -4.05 0.41 -0.01 1.69 1.04 0.73 -4.59 113.70 108.92 1ivm s SER 51 Ca 0.05 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1ivm s SER 51 Cb -0.03 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1ivm s SER 51 CO 0.77 -0.20 0.02 -0.89 0.98 0.00 0.00 173.24 173.92 1ivm s THR 52 N -1.13 -0.02 -0.41 2.02 2.01 -1.26 -0.94 115.64 115.91 1ivm s THR 52 Ca -0.11 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1ivm s THR 52 Cb -0.08 -0.07 0.10 0.00 0.01 0.00 0.00 72.50 72.46 1ivm s THR 52 CO -0.00 0.07 0.23 -1.81 -0.69 0.00 0.00 174.62 172.41 1ivm s ASP 53 N 0.73 5.38 0.20 3.53 1.11 0.57 0.21 116.67 128.40 1ivm s ASP 53 Ca -0.06 -1.86 -0.15 0.00 0.18 0.00 0.00 52.55 50.66 1ivm s ASP 53 Cb -0.09 -1.88 0.01 0.00 1.07 0.00 0.00 42.92 42.03 1ivm s ASP 53 CO -0.02 -0.55 0.48 -0.72 1.18 0.00 0.00 175.17 175.53 1ivm s TYR 54 N 1.24 0.07 0.00 4.23 1.13 0.12 0.14 117.35 124.28 1ivm s TYR 54 Ca 0.06 -0.43 0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1ivm s TYR 54 Cb -0.23 0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.91 1ivm s TYR 54 CO -0.02 -0.91 0.00 0.41 -2.51 0.00 0.00 175.55 172.52 1ivm n GLY 55 N -0.33 3.65 0.39 5.49 0.00 0.11 -0.25 105.19 114.25 1ivm n GLY 55 Ca -0.08 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.32 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.44 0.69 -0.44 -0.61 6.09 -1.84 0.40 117.51 122.24 1ivm h ILE 56 Ca 0.00 -0.16 -0.17 0.00 -1.37 0.00 0.00 64.86 63.16 1ivm h ILE 56 Cb 0.00 0.17 -0.10 0.00 0.47 0.00 0.00 36.82 37.36 1ivm h ILE 56 CO 0.00 0.09 0.06 0.49 -3.07 0.00 0.00 178.15 175.72 1ivm n PHE 57 N -4.55 1.40 -3.15 2.19 3.72 -1.26 -3.96 117.46 111.86 1ivm n PHE 57 Ca 0.20 -1.38 -0.01 0.00 -0.05 0.00 0.00 57.45 56.20 1ivm n PHE 57 Cb 0.67 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N -0.86 -0.64 -4.37 -1.08 7.27 0.14 -4.98 117.38 112.86 1ivm n GLN 58 Ca 0.34 0.99 -0.28 0.00 0.07 0.00 0.00 57.00 58.12 1ivm n GLN 58 Cb 1.10 -1.47 -0.12 0.00 2.41 0.00 0.00 30.24 32.17 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ivm s ILE 59 N -1.09 2.54 -0.02 1.69 1.01 0.65 -4.81 121.20 121.17 1ivm s ILE 59 Ca 0.01 -1.79 -0.21 0.00 0.00 0.00 0.00 60.65 58.67 1ivm s ILE 59 Cb -0.00 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 1ivm s ILE 59 CO 0.11 -0.01 0.61 0.20 0.00 0.00 0.00 174.94 175.86 1ivm s ASN 60 N -2.39 6.96 0.00 3.58 -0.87 -1.25 0.14 114.94 121.11 1ivm s ASN 60 Ca 0.19 1.15 0.18 0.00 -1.57 0.00 0.00 52.86 52.80 1ivm s ASN 60 Cb -0.09 -2.37 0.60 0.00 -0.02 0.00 0.00 41.25 39.37 1ivm s ASN 60 CO 0.09 0.05 1.45 -0.24 -2.57 0.00 0.00 177.10 175.89 1ivm n SER 61 N 3.01 1.91 0.06 -1.22 2.88 0.55 -1.95 113.62 118.85 1ivm n SER 61 Ca -0.06 -1.82 0.12 0.00 -1.33 0.00 0.00 58.87 55.78 1ivm n SER 61 Cb 0.51 -0.16 0.16 0.00 -0.75 0.00 0.00 64.21 63.97 1ivm n SER 61 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ivm n ARG 62 N 0.49 0.29 0.00 -1.46 0.63 -1.26 -4.46 116.66 110.90 1ivm n ARG 62 Ca 0.15 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1ivm n ARG 62 Cb 0.35 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1ivm n ARG 62 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1ivm n TYR 63 N -2.10 0.00 -4.12 -0.14 4.19 -1.23 -3.50 117.16 110.25 1ivm n TYR 63 Ca 0.03 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.01 1ivm n TYR 63 Cb 0.44 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.22 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 1ivm s TRP 64 N -1.58 3.08 0.60 2.98 0.52 -0.82 -0.79 118.94 122.93 1ivm s TRP 64 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.02 1ivm s TRP 64 Cb 0.00 -1.41 0.00 0.00 -1.15 0.00 0.00 33.47 30.91 1ivm s TRP 64 CO 0.00 0.53 0.00 0.00 0.02 0.00 0.00 176.95 177.50 1ivm n ASN 66 N -4.07 0.38 0.00 0.00 4.05 -0.43 -3.97 115.26 111.22 1ivm n ASN 66 Ca -0.08 -1.22 0.00 0.00 0.45 0.00 0.00 54.58 53.73 1ivm n ASN 66 Cb 0.64 0.14 0.00 0.00 1.23 0.00 0.00 39.78 41.79 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1ivm n ASP 67 N -2.49 0.57 0.00 1.20 -0.08 -1.26 -1.55 116.55 112.93 1ivm n ASP 67 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ivm n ASP 67 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 2.16 0.41 0.00 0.27 0.00 -1.26 -4.87 105.19 101.91 1ivm n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ivm n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ivm n LYS 69 N -1.89 -0.17 -3.75 1.61 5.02 -1.26 -4.88 118.16 112.84 1ivm n LYS 69 Ca 0.00 -0.43 -0.30 0.00 -2.02 0.00 0.00 58.31 55.56 1ivm n LYS 69 Cb 0.00 -0.93 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ivm s THR 70 N -0.10 1.58 -0.82 -0.18 2.01 -1.26 -5.00 115.64 111.86 1ivm s THR 70 Ca 0.00 -2.65 -0.07 0.00 0.31 0.00 0.00 61.69 59.29 1ivm s THR 70 Cb 0.00 -2.11 -0.11 0.00 0.01 0.00 0.00 72.50 70.29 1ivm s THR 70 CO 0.00 -0.87 2.60 -0.81 -0.69 0.00 0.00 174.62 174.85 1ivm n PRO 71 N 3.51 2.37 0.12 4.92 -0.04 -1.26 -3.56 135.00 141.06 1ivm n PRO 71 Ca 0.08 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1ivm n PRO 71 Cb 0.34 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1ivm n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ivm n ARG 72 N 3.50 0.00 -0.88 0.54 3.00 -1.26 -5.10 116.66 116.46 1ivm n ARG 72 Ca 0.51 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 58.00 1ivm n ARG 72 Cb 0.34 -0.11 0.09 0.00 0.00 0.00 0.00 32.46 32.78 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 73 N -3.47 -4.07 -3.04 7.54 0.00 -1.23 -4.92 120.51 111.33 1ivm n ALA 73 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 53.44 52.42 1ivm n ALA 73 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -3.24 2.93 -1.51 0.00 3.14 -1.23 -5.04 118.33 113.39 1ivm n VAL 74 Ca 0.02 -5.51 -0.41 0.00 -2.96 0.00 0.00 64.34 55.48 1ivm n VAL 74 Cb 0.57 -1.53 -0.09 0.00 -1.06 0.00 0.00 33.84 31.72 1ivm n VAL 74 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1ivm n ASN 75 N -0.03 1.31 0.01 6.55 6.94 -1.17 -4.44 115.26 124.43 1ivm n ASN 75 Ca 0.31 -0.05 0.13 0.00 -0.02 0.00 0.00 54.58 54.95 1ivm n ASN 75 Cb 0.40 -1.22 0.35 0.00 -2.36 0.00 0.00 39.78 36.95 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm n ALA 76 N 12.45 3.10 0.01 -2.53 0.00 0.03 -3.60 120.51 129.98 1ivm n ALA 76 Ca 0.51 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 1ivm n ALA 76 Cb 0.25 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 1ivm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivm n GLY 78 N 1.90 -0.18 3.34 0.00 0.00 -1.24 -4.93 105.19 104.10 1ivm n GLY 78 Ca -0.28 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.21 0.06 -0.13 -0.61 -0.00 -1.26 -5.01 121.20 111.04 1ivm s ILE 79 Ca 0.19 -1.37 -0.29 0.00 -0.00 0.00 0.00 60.65 59.18 1ivm s ILE 79 Cb -0.03 -1.84 -0.02 0.00 -0.00 0.00 0.00 42.46 40.57 1ivm s ILE 79 CO 0.41 -0.29 1.30 0.20 -0.00 0.00 0.00 174.94 176.55 1ivm s ASN 80 N -2.97 6.93 0.36 4.36 0.01 -1.26 -1.31 114.94 121.06 1ivm s ASN 80 Ca 0.17 1.78 0.13 0.00 -0.71 0.00 0.00 52.86 54.23 1ivm s ASN 80 Cb 0.03 -2.54 0.96 0.00 0.41 0.00 0.00 41.25 40.11 1ivm s ASN 80 CO 0.00 -0.75 1.77 0.00 -1.51 0.00 0.00 177.10 176.62 1ivm h SER 82 N 0.53 0.00 0.32 0.00 0.02 -1.90 0.77 113.55 113.29 1ivm h SER 82 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1ivm h SER 82 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ivm h SER 82 CO -0.34 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.35 1ivm n ALA 83 N -2.12 1.31 -0.50 3.77 0.00 0.54 0.04 120.51 123.56 1ivm n ALA 83 Ca 0.01 0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.70 1ivm n ALA 83 Cb 0.40 -1.35 0.33 0.00 0.00 0.00 0.00 19.45 18.83 1ivm n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ivm n LEU 84 N -2.25 4.30 -0.13 0.00 4.77 0.27 -3.98 117.00 119.97 1ivm n LEU 84 Ca 0.00 -2.24 0.01 0.00 -0.03 0.00 0.00 56.01 53.75 1ivm n LEU 84 Cb 0.12 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1ivm n LEU 84 CO 0.14 0.88 0.31 -0.11 -1.33 0.00 0.00 177.39 177.28 1ivm n LEU 85 N 1.29 0.46 0.00 2.23 0.00 0.11 -4.34 117.00 116.74 1ivm n LEU 85 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 56.01 55.47 1ivm n LEU 85 Cb 0.75 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 44.14 1ivm n LEU 85 CO 0.20 0.19 0.02 0.00 0.00 0.00 0.00 177.39 177.80 1ivm n GLN 86 N -0.18 0.81 0.00 1.96 6.02 -0.84 -4.94 117.38 120.22 1ivm n GLN 86 Ca 0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1ivm n GLN 86 Cb 0.52 -0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1ivm n GLN 86 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ivm n ASP 87 N -2.98 0.00 -4.57 1.08 -0.08 -1.26 -4.02 116.55 104.73 1ivm n ASP 87 Ca 0.01 0.31 -0.50 0.00 -1.51 0.00 0.00 54.79 53.10 1ivm n ASP 87 Cb 0.03 -0.40 -0.05 0.00 2.34 0.00 0.00 41.12 43.05 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ivm n ASP 88 N -1.82 1.20 -0.63 1.67 8.00 -1.26 -4.55 116.55 119.17 1ivm n ASP 88 Ca 0.00 1.14 0.13 0.00 0.71 0.00 0.00 54.79 56.77 1ivm n ASP 88 Cb 0.00 -1.18 0.40 0.00 -0.02 0.00 0.00 41.12 40.32 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ivm n ILE 89 N 1.69 0.06 -0.33 0.53 -5.35 -1.26 -4.26 119.36 110.44 1ivm n ILE 89 Ca 0.16 -0.34 0.21 0.00 -0.27 0.00 0.00 62.75 62.51 1ivm n ILE 89 Cb 0.22 0.72 0.43 0.00 -1.74 0.00 0.00 39.64 39.27 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 2.94 0.32 -0.31 7.28 1.03 -1.94 1.39 112.91 123.63 1ivm h THR 90 Ca 0.00 -0.11 -0.14 0.00 -0.01 0.00 0.00 66.41 66.14 1ivm h THR 90 Cb 0.63 -0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.67 1ivm h THR 90 CO 0.00 0.06 -0.39 0.00 -0.01 0.00 0.00 175.52 175.18 1ivm h ALA 91 N 1.83 0.73 -0.73 0.00 0.00 -1.84 0.12 119.26 119.37 1ivm h ALA 91 Ca 0.70 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1ivm h ALA 91 Cb 1.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1ivm h ALA 91 CO -0.60 0.66 0.25 0.00 0.00 0.00 0.00 179.25 179.56 1ivm h ALA 92 N 0.95 1.07 0.08 0.00 0.00 0.14 0.36 119.26 121.86 1ivm h ALA 92 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ivm h ALA 92 Cb 0.93 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ivm h ALA 92 CO 0.09 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.76 1ivm h ILE 93 N 1.07 1.18 -0.30 0.00 2.04 -0.07 0.61 117.51 122.05 1ivm h ILE 93 Ca 0.24 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1ivm h ILE 93 Cb 0.26 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1ivm h ILE 93 CO -0.01 0.27 -0.03 -0.61 0.00 0.00 0.00 178.15 177.77 1ivm h GLN 94 N -0.65 0.05 -0.49 2.37 4.15 -0.60 0.21 115.11 120.15 1ivm h GLN 94 Ca -0.01 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1ivm h GLN 94 Cb 0.53 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1ivm h GLN 94 CO 0.02 0.03 -0.12 0.00 -1.93 0.00 0.00 178.83 176.84 1ivm h ALA 96 N 0.89 0.28 -0.19 0.00 0.00 0.14 1.48 119.26 121.87 1ivm h ALA 96 Ca 0.12 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ivm h ALA 96 Cb 0.67 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ivm h ALA 96 CO 0.05 -0.45 -0.13 1.57 0.00 0.00 0.00 179.25 180.29 1ivm h LYS 97 N -0.00 0.42 0.00 0.00 2.10 -0.44 0.12 116.57 118.78 1ivm h LYS 97 Ca 0.21 -0.20 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ivm h LYS 97 Cb 0.32 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1ivm h LYS 97 CO -0.45 0.75 -0.00 -0.09 -2.00 0.00 0.00 179.45 177.66 1ivm h ARG 98 N 0.10 0.00 0.00 0.07 2.43 0.50 0.59 114.38 118.07 1ivm h ARG 98 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ivm h ARG 98 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1ivm h ARG 98 CO 0.04 0.00 -0.42 0.28 -1.51 0.00 0.00 179.97 178.36 1ivm h VAL 99 N 0.00 0.40 -0.10 0.20 2.07 0.24 -3.34 116.25 115.72 1ivm h VAL 99 Ca -0.00 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1ivm h VAL 99 Cb 0.02 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ivm h VAL 99 CO 0.00 0.13 0.12 0.58 0.02 0.00 0.00 177.57 178.42 1ivm h VAL 100 N -1.00 0.47 -0.01 2.57 2.07 -0.46 0.14 116.25 120.03 1ivm h VAL 100 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ivm h VAL 100 Cb 0.56 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ivm h VAL 100 CO -0.04 0.00 0.16 -0.09 0.02 0.00 0.00 177.57 177.62 1ivm h ARG 101 N 0.00 0.00 -7.48 1.57 9.65 0.07 -3.34 114.38 114.85 1ivm h ARG 101 Ca 0.05 0.00 -0.42 0.00 -1.10 0.00 0.00 59.98 58.50 1ivm h ARG 101 Cb 0.28 0.00 0.18 0.00 -1.39 0.00 0.00 29.97 29.04 1ivm h ARG 101 CO -0.00 0.00 0.20 -0.51 2.80 0.00 0.00 179.97 182.46 1ivm s ASP 102 N -4.87 1.50 0.00 -3.80 1.11 0.48 -4.89 116.67 106.20 1ivm s ASP 102 Ca -0.04 0.60 0.23 0.00 0.18 0.00 0.00 52.55 53.52 1ivm s ASP 102 Cb 0.11 -0.84 1.37 0.00 1.07 0.00 0.00 42.92 44.64 1ivm s ASP 102 CO 0.36 -3.76 1.75 -0.81 1.18 0.00 0.00 175.17 173.89 1ivm n PRO 103 N -4.51 0.75 0.28 8.23 -0.04 -1.26 -3.60 135.00 134.84 1ivm n PRO 103 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1ivm n PRO 103 Cb 0.59 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.72 0.00 0.54 1.08 -1.86 -3.50 115.11 110.65 1ivm h GLN 104 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1ivm h GLN 104 Cb 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1ivm h GLN 104 CO 0.00 -0.48 0.00 0.41 -0.95 0.00 0.00 178.83 177.81 1ivm n GLY 105 N -0.35 -2.65 0.54 3.46 0.00 -1.24 -4.12 105.19 100.83 1ivm n GLY 105 Ca -0.09 -1.35 0.44 0.00 0.00 0.00 0.00 46.02 45.02 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N 0.00 0.00 -1.24 -0.61 1.08 -1.94 0.93 117.51 115.73 1ivm h ILE 106 Ca 0.00 -0.00 0.45 0.00 -0.39 0.00 0.00 64.86 64.92 1ivm h ILE 106 Cb 0.00 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.60 1ivm h ILE 106 CO 0.00 0.00 0.77 -0.09 -0.69 0.00 0.00 178.15 178.14 1ivm h ARG 107 N 0.00 0.03 -1.28 2.37 9.65 -2.00 1.13 114.38 124.28 1ivm h ARG 107 Ca 0.90 -0.00 0.45 0.00 -1.10 0.00 0.00 59.98 60.23 1ivm h ARG 107 Cb 3.09 -0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 31.52 1ivm h ARG 107 CO -0.36 0.02 0.80 0.00 2.80 0.00 0.00 179.97 183.24 1ivm h ALA 108 N 1.74 2.65 -1.10 2.80 0.00 0.76 0.37 119.26 126.47 1ivm h ALA 108 Ca 0.86 0.15 -0.78 0.00 0.00 0.00 0.00 54.91 55.14 1ivm h ALA 108 Cb 2.58 0.24 -0.21 0.00 0.00 0.00 0.00 17.79 20.41 1ivm h ALA 108 CO -0.56 -1.34 1.58 0.91 0.00 0.00 0.00 179.25 179.85 1ivm n TRP 109 N -4.82 2.64 -0.49 0.00 8.01 0.39 -4.76 117.44 118.41 1ivm n TRP 109 Ca 0.38 -2.67 0.43 0.00 -1.31 0.00 0.00 57.50 54.33 1ivm n TRP 109 Cb 1.45 -1.51 0.71 0.00 -2.01 0.00 0.00 31.31 29.95 1ivm n TRP 109 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1ivm h VAL 110 N 2.70 0.07 -0.65 -0.99 2.07 -0.44 0.72 116.25 119.73 1ivm h VAL 110 Ca 0.53 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.18 1ivm h VAL 110 Cb 0.39 0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.12 1ivm h VAL 110 CO 1.36 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 178.77 1ivm h ALA 111 N 0.94 0.39 -0.76 1.67 0.00 -1.85 1.37 119.26 121.03 1ivm h ALA 111 Ca 0.74 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.98 1ivm h ALA 111 Cb 3.26 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 21.52 1ivm h ALA 111 CO -0.01 -0.44 0.50 2.35 0.00 0.00 0.00 179.25 181.65 1ivm h TRP 112 N -0.01 0.75 0.00 0.00 7.01 0.11 0.85 115.95 124.65 1ivm h TRP 112 Ca 0.31 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1ivm h TRP 112 Cb 0.48 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1ivm h TRP 112 CO -0.54 0.37 0.00 -2.13 -2.79 0.00 0.00 178.44 173.35 1ivm n ARG 113 N -4.49 0.18 -0.92 2.65 0.00 0.45 0.95 116.66 115.48 1ivm n ARG 113 Ca 0.12 0.46 0.03 0.00 -0.00 0.00 0.00 57.85 58.46 1ivm n ARG 113 Cb 0.29 -1.88 0.16 0.00 0.00 0.00 0.00 32.46 31.02 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 114 N -1.77 3.52 0.00 5.13 0.00 0.28 -4.29 120.51 123.37 1ivm n ALA 114 Ca 0.01 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1ivm n ALA 114 Cb 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.78 -0.52 -0.08 0.00 -0.00 -0.07 -4.84 115.22 108.92 1ivm n HIS 115 Ca 0.18 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.24 1ivm n HIS 115 Cb 0.80 0.21 -0.07 0.00 -0.12 0.00 0.00 29.99 30.81 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm h GLN 117 N -1.00 0.00 0.21 0.00 4.15 -1.67 -2.54 115.11 114.26 1ivm h GLN 117 Ca -0.16 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1ivm h GLN 117 Cb 0.86 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 1ivm h GLN 117 CO -0.09 0.00 -0.14 -0.97 -1.93 0.00 0.00 178.83 175.70 1ivm h ASN 118 N 0.00 -0.35 -0.13 -0.69 -0.73 -1.79 -3.48 115.58 108.42 1ivm h ASN 118 Ca 0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1ivm h ASN 118 Cb 0.35 0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1ivm h ASN 118 CO 0.00 -0.21 0.00 -1.14 -0.37 0.00 0.00 177.43 175.71 1ivm n ARG 119 N -3.08 0.60 -3.04 6.67 0.63 -0.96 -5.08 116.66 112.40 1ivm n ARG 119 Ca -0.04 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.46 1ivm n ARG 119 Cb 0.14 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.99 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ivm s ASP 120 N 1.00 6.27 -0.15 6.15 -1.08 -1.26 -4.80 116.67 122.80 1ivm s ASP 120 Ca 0.00 -0.71 0.15 0.00 -0.52 0.00 0.00 52.55 51.47 1ivm s ASP 120 Cb 0.00 -2.34 0.68 0.00 -1.46 0.00 0.00 42.92 39.80 1ivm s ASP 120 CO 0.00 -1.01 1.56 -0.11 0.52 0.00 0.00 175.17 176.13 1ivm n LEU 121 N 6.64 4.69 0.12 -1.34 -0.00 -1.26 -4.14 117.00 121.71 1ivm n LEU 121 Ca -0.03 -2.37 -0.01 0.00 -0.00 0.00 0.00 56.01 53.59 1ivm n LEU 121 Cb 0.46 -0.60 0.09 0.00 -0.00 0.00 0.00 43.42 43.38 1ivm n LEU 121 CO 0.57 0.67 0.42 -1.28 -0.00 0.00 0.00 177.39 177.77 1ivm h SER 122 N 3.60 0.00 0.19 1.96 0.87 -1.91 -2.88 113.55 115.39 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ivm h SER 122 Cb 1.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1ivm h SER 122 CO 0.31 0.68 0.00 1.67 -0.53 0.00 0.00 176.83 178.96 1ivm n GLN 123 N -3.54 0.08 0.10 2.24 7.27 -1.26 -1.06 117.38 121.21 1ivm n GLN 123 Ca -0.00 0.50 -0.04 0.00 0.07 0.00 0.00 57.00 57.53 1ivm n GLN 123 Cb 0.71 -1.73 0.02 0.00 2.41 0.00 0.00 30.24 31.65 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1ivm h TYR 124 N 0.00 0.00 0.03 3.69 3.20 -1.82 -3.29 116.97 118.78 1ivm h TYR 124 Ca 0.00 -0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.51 1ivm h TYR 124 Cb 0.09 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1ivm h TYR 124 CO 0.00 0.81 -2.15 0.44 -1.64 0.00 0.00 178.16 175.62 1ivm n ILE 125 N -3.57 1.57 -2.38 1.81 -5.35 -0.22 -4.56 119.36 106.66 1ivm n ILE 125 Ca -0.01 -0.72 -0.43 0.00 -0.27 0.00 0.00 62.75 61.33 1ivm n ILE 125 Cb 0.78 -1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 37.48 1ivm n ILE 125 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ivm s ARG 126 N -2.54 4.27 -0.12 6.28 6.06 -0.29 -2.31 118.95 130.30 1ivm s ARG 126 Ca -0.18 1.74 0.00 0.00 -2.50 0.00 0.00 55.73 54.78 1ivm s ARG 126 Cb 0.07 -3.70 0.00 0.00 0.06 0.00 0.00 34.95 31.38 1ivm s ARG 126 CO 0.75 -0.63 0.00 -1.71 -2.50 0.00 0.00 175.30 171.21 1ivm n ASN 127 N 6.11 -2.39 0.01 -2.12 2.85 -1.26 -4.78 115.26 113.68 1ivm n ASN 127 Ca 0.13 0.02 -0.05 0.00 -0.11 0.00 0.00 54.58 54.56 1ivm n ASN 127 Cb 0.45 -0.75 -0.11 0.00 1.24 0.00 0.00 39.78 40.60 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ivm n GLY 129 N 1.46 1.39 0.46 0.00 0.00 -1.26 -4.83 105.19 102.41 1ivm n GLY 129 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70