#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 -0.30 1.06 1.61 0.15 -1.26 -5.17 113.70 109.80 2eef s SER 2 Ca 0.00 0.84 -0.17 0.00 0.70 0.00 0.00 55.95 57.32 2eef s SER 2 Cb 0.00 0.89 0.23 0.00 -1.71 0.00 0.00 66.02 65.43 2eef s SER 2 CO 0.00 -0.21 1.22 -0.44 1.20 0.00 0.00 173.24 175.01 2eef s SER 3 N 1.87 2.17 0.00 5.45 0.01 -1.26 -4.67 113.70 117.27 2eef s SER 3 Ca -0.06 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2eef s SER 3 Cb -0.10 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2eef s SER 3 CO -0.12 -3.33 0.00 0.61 0.41 0.00 0.00 173.24 170.81 2eef n GLY 4 N -2.45 3.29 0.12 3.44 0.00 -1.26 -4.88 105.19 103.45 2eef n GLY 4 Ca 0.14 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2eef n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2eef h SER 5 N 0.00 0.34 -3.25 1.61 4.64 -2.08 -3.45 113.55 111.36 2eef h SER 5 Ca 0.00 -0.84 -0.57 0.00 -0.47 0.00 0.00 61.79 59.92 2eef h SER 5 Cb 0.00 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 2eef h SER 5 CO 0.00 1.58 0.99 -0.94 -0.87 0.00 0.00 176.83 177.59 2eef s SER 6 N -6.98 6.58 0.00 4.97 1.04 -1.26 -4.83 113.70 113.22 2eef s SER 6 Ca -0.20 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2eef s SER 6 Cb 0.04 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2eef s SER 6 CO 0.75 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2eef n GLY 7 N 4.58 1.60 3.63 7.32 0.00 -1.26 -5.00 105.19 116.06 2eef n GLY 7 Ca 0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N -1.53 -2.10 -0.54 4.61 0.00 -1.26 -5.04 121.76 115.90 2eef s ALA 8 Ca 0.00 2.31 -0.24 0.00 0.00 0.00 0.00 51.96 54.03 2eef s ALA 8 Cb 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2eef s ALA 8 CO 0.00 -0.41 0.90 -1.21 0.00 0.00 0.00 175.76 175.04 2eef s GLU 9 N 1.59 3.32 0.11 0.00 2.02 -1.26 -4.98 118.70 119.50 2eef s GLU 9 Ca -0.09 -0.31 -0.25 0.00 0.02 0.00 0.00 54.97 54.34 2eef s GLU 9 Cb -0.05 -4.05 0.08 0.00 0.10 0.00 0.00 34.13 30.21 2eef s GLU 9 CO -0.18 -1.43 0.69 -1.12 0.02 0.00 0.00 175.26 173.25 2eef s SER 10 N 2.77 -0.50 0.50 -0.19 0.01 -1.26 -5.18 113.70 109.85 2eef s SER 10 Ca 0.29 -0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.63 2eef s SER 10 Cb -0.13 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.68 2eef s SER 10 CO 0.19 -0.86 0.68 -1.61 0.41 0.00 0.00 173.24 172.05 2eef s GLU 11 N -3.55 2.57 0.31 12.44 0.41 -1.26 -5.14 118.70 124.47 2eef s GLU 11 Ca 0.02 -1.44 0.06 0.00 -0.41 0.00 0.00 54.97 53.21 2eef s GLU 11 Cb -0.01 -2.70 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 2eef s GLU 11 CO -0.11 -0.57 -0.02 -1.12 -0.49 0.00 0.00 175.26 172.95 2eef s SER 12 N -4.51 2.75 0.49 -0.19 0.01 -1.26 -4.91 113.70 106.09 2eef s SER 12 Ca 0.58 -1.27 0.07 0.00 1.31 0.00 0.00 55.95 56.65 2eef s SER 12 Cb -0.08 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2eef s SER 12 CO 0.36 -0.43 0.49 -0.36 0.41 0.00 0.00 173.24 173.71 2eef s PHE 13 N -3.07 2.08 0.28 2.43 0.40 -1.26 -2.74 117.98 116.10 2eef s PHE 13 Ca 0.32 -0.65 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2eef s PHE 13 Cb 0.06 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 2eef s PHE 13 CO 0.14 -0.48 0.22 0.14 0.70 0.00 0.00 175.22 175.93 2eef s VAL 14 N -2.60 0.00 -0.13 -0.44 -7.23 0.58 -4.55 120.40 106.02 2eef s VAL 14 Ca 0.47 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.59 2eef s VAL 14 Cb -0.04 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2eef s VAL 14 CO 0.28 0.00 0.07 -0.76 -0.31 0.00 0.00 175.10 174.38 2eef s LEU 15 N -3.28 3.91 -0.22 1.32 1.43 -1.26 -2.44 118.68 118.13 2eef s LEU 15 Ca 0.40 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2eef s LEU 15 Cb 0.04 -1.95 0.30 0.00 0.03 0.00 0.00 46.19 44.61 2eef s LEU 15 CO 0.21 0.31 1.51 -0.67 0.23 0.00 0.00 176.35 177.94 2eef n ASP 16 N 2.62 3.80 -3.58 2.29 2.03 -1.04 -4.85 116.55 117.82 2eef n ASP 16 Ca -0.18 -2.79 -0.13 0.00 0.52 0.00 0.00 54.79 52.21 2eef n ASP 16 Cb 0.53 -0.72 -0.05 0.00 -0.72 0.00 0.00 41.12 40.17 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -1.57 -0.37 0.38 -0.67 -0.71 -1.26 -4.88 117.98 108.90 2eef s PHE 17 Ca 0.27 0.30 -0.16 0.00 -1.04 0.00 0.00 56.93 56.30 2eef s PHE 17 Cb 0.22 0.34 -0.09 0.00 -1.21 0.00 0.00 43.02 42.28 2eef s PHE 17 CO 0.04 -0.67 0.81 -1.12 -1.34 0.00 0.00 175.22 172.94 2eef s SER 18 N -2.26 6.75 0.23 1.98 0.01 -1.26 -5.02 113.70 114.13 2eef s SER 18 Ca -0.03 1.37 -0.30 0.00 1.31 0.00 0.00 55.95 58.30 2eef s SER 18 Cb -0.00 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 2eef s SER 18 CO -0.05 -0.31 1.46 -1.10 0.41 0.00 0.00 173.24 173.65 2eef s GLN 19 N -3.27 4.26 0.14 12.44 -1.52 -1.26 -4.93 119.66 125.52 2eef s GLN 19 Ca 0.56 2.30 -0.11 0.00 -1.95 0.00 0.00 55.36 56.16 2eef s GLN 19 Cb -0.10 -3.12 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 2eef s GLN 19 CO 0.20 -0.46 1.47 -1.00 -0.25 0.00 0.00 175.29 175.26 2eef h PRO 20 N 5.46 0.94 -0.40 2.91 0.13 -1.81 -3.02 132.00 136.20 2eef h PRO 20 Ca -0.45 -0.49 0.12 0.00 -0.87 0.00 0.00 66.00 64.30 2eef h PRO 20 Cb 1.21 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2eef h PRO 20 CO 0.81 1.15 0.32 1.03 -0.23 0.00 0.00 178.00 181.07 2eef h SER 21 N 0.76 0.00 -0.69 1.44 0.87 -1.68 -2.66 113.55 111.59 2eef h SER 21 Ca 0.06 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.88 2eef h SER 21 Cb 0.97 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.81 2eef h SER 21 CO 0.09 0.00 0.26 0.00 -0.53 0.00 0.00 176.83 176.65 2eef n ALA 22 N -2.55 0.59 -3.71 6.23 0.00 -1.14 -3.09 120.51 116.84 2eef n ALA 22 Ca 0.07 0.71 -0.35 0.00 0.00 0.00 0.00 53.44 53.87 2eef n ALA 22 Cb 0.51 -0.65 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.78 5.06 0.17 0.00 1.01 -1.00 -4.98 116.67 112.15 2eef s ASP 23 Ca -0.07 -1.66 -0.15 0.00 0.71 0.00 0.00 52.55 51.38 2eef s ASP 23 Cb 0.22 -1.77 0.08 0.00 1.01 0.00 0.00 42.92 42.47 2eef s ASP 23 CO 0.54 -0.40 1.79 0.22 0.21 0.00 0.00 175.17 177.53 2eef h TYR 24 N 8.00 0.46 0.05 4.23 3.20 -1.82 -0.40 116.97 130.69 2eef h TYR 24 Ca -0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 2eef h TYR 24 Cb 1.05 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2eef h TYR 24 CO 0.58 0.25 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.25 2eef h LEU 25 N 0.49 -0.05 -1.22 2.82 -0.00 -1.93 0.21 115.31 115.62 2eef h LEU 25 Ca 0.19 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.23 2eef h LEU 25 Cb 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 2eef h LEU 25 CO -0.11 -0.02 0.86 -0.78 -0.00 0.00 0.00 178.44 178.39 2eef h ASP 26 N -0.08 0.00 0.00 -0.43 3.58 -1.95 -0.64 116.42 116.89 2eef h ASP 26 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2eef h ASP 26 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2eef h ASP 26 CO 0.01 0.00 -0.17 0.15 -2.88 0.00 0.00 179.24 176.35 2eef h PHE 27 N 0.00 0.00 -1.28 0.28 3.04 -0.96 -3.33 116.94 114.69 2eef h PHE 27 Ca 0.26 0.00 0.37 0.00 3.98 0.00 0.00 57.97 62.58 2eef h PHE 27 Cb 1.99 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.44 2eef h PHE 27 CO 0.00 0.00 0.95 0.07 -2.02 0.00 0.00 178.31 177.31 2eef h ARG 28 N -0.72 0.00 -0.69 1.11 0.11 0.66 0.61 114.38 115.45 2eef h ARG 28 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2eef h ARG 28 Cb 0.17 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.22 2eef h ARG 28 CO 0.00 0.00 0.20 -0.91 0.10 0.00 0.00 179.97 179.36 2eef h ASN 29 N 0.00 1.01 0.11 0.08 2.35 -1.31 -1.98 115.58 115.84 2eef h ASN 29 Ca 0.61 -0.21 -0.22 0.00 -0.55 0.00 0.00 56.30 55.92 2eef h ASN 29 Cb 2.51 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 40.62 2eef h ASN 29 CO -0.01 0.96 -0.87 0.03 -1.65 0.00 0.00 177.43 175.89 2eef h ARG 30 N 1.01 0.59 0.00 0.81 2.47 0.09 -1.98 114.38 117.37 2eef h ARG 30 Ca 0.22 -0.55 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2eef h ARG 30 Cb 0.32 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2eef h ARG 30 CO -0.00 1.17 0.00 -0.11 0.56 0.00 0.00 179.97 181.58 2eef n LEU 31 N -3.84 0.43 -0.05 3.04 7.94 -0.75 0.01 117.00 123.77 2eef n LEU 31 Ca -0.07 0.62 -0.00 0.00 -1.11 0.00 0.00 56.01 55.44 2eef n LEU 31 Cb 0.79 -0.57 -0.15 0.00 0.53 0.00 0.00 43.42 44.02 2eef n LEU 31 CO 0.52 -0.50 -0.93 1.67 -1.11 0.00 0.00 177.39 177.04 2eef n GLN 32 N -1.99 0.81 -0.02 1.96 7.27 -0.76 -2.41 117.38 122.24 2eef n GLN 32 Ca 0.02 -0.09 -0.13 0.00 0.07 0.00 0.00 57.00 56.87 2eef n GLN 32 Cb 0.19 -1.47 -0.14 0.00 2.41 0.00 0.00 30.24 31.22 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.45 1.32 -0.01 1.69 0.00 -0.76 -4.38 120.51 115.92 2eef n ALA 33 Ca -0.18 -0.77 0.06 0.00 0.00 0.00 0.00 53.44 52.55 2eef n ALA 33 Cb 0.82 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -3.15 1.56 -0.88 0.00 -0.08 0.10 -5.00 116.55 109.10 2eef n ASP 34 Ca -0.23 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.96 2eef n ASP 34 Cb 1.06 1.61 -0.02 0.00 2.34 0.00 0.00 41.12 46.11 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eef n HIS 35 N -2.07 -0.27 -3.65 -0.67 8.25 -1.01 -4.92 115.22 110.88 2eef n HIS 35 Ca -0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 2eef n HIS 35 Cb 0.44 -2.06 -0.07 0.00 1.12 0.00 0.00 29.99 29.43 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.39 0.00 -0.20 1.59 0.11 -1.24 -3.70 120.40 114.57 2eef s VAL 36 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2eef s VAL 36 Cb 0.00 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2eef s VAL 36 CO 0.00 0.00 0.93 0.00 -3.33 0.00 0.00 175.10 172.70 2eef s LEU 38 N -0.50 4.43 0.00 0.00 2.96 -1.26 -1.81 118.68 122.50 2eef s LEU 38 Ca -0.01 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 2eef s LEU 38 Cb -0.02 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2eef s LEU 38 CO 0.00 -0.19 0.00 1.21 -1.32 0.00 0.00 176.35 176.05 2eef n GLU 39 N 3.37 0.00 -4.07 1.98 2.13 -0.83 -4.36 120.64 118.87 2eef n GLU 39 Ca 0.05 0.22 -0.15 0.00 0.66 0.00 0.00 57.16 57.93 2eef n GLU 39 Cb 0.50 -0.69 -0.14 0.00 0.27 0.00 0.00 31.44 31.38 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.09 0.45 -0.33 4.31 4.22 -1.22 -2.50 114.94 117.77 2eef s ASN 40 Ca 0.00 -0.07 -0.00 0.00 -2.14 0.00 0.00 52.86 50.65 2eef s ASN 40 Cb 0.00 -0.07 0.11 0.00 1.28 0.00 0.00 41.25 42.57 2eef s ASN 40 CO 0.00 0.04 0.12 0.00 -2.04 0.00 0.00 177.10 175.22 2eef s VAL 42 N 1.37 4.28 0.01 0.00 -7.23 0.12 -4.94 120.40 114.01 2eef s VAL 42 Ca 0.11 -0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 2eef s VAL 42 Cb -0.19 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 2eef s VAL 42 CO -0.20 -0.54 -0.25 -0.22 -0.31 0.00 0.00 175.10 173.58 2eef s LEU 43 N -4.70 2.15 0.00 1.32 0.20 -1.26 -1.75 118.68 114.64 2eef s LEU 43 Ca 0.49 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2eef s LEU 43 Cb -0.10 -1.34 -0.01 0.00 -0.43 0.00 0.00 46.19 44.31 2eef s LEU 43 CO 0.42 0.29 0.11 0.29 -0.29 0.00 0.00 176.35 177.17 2eef n LYS 44 N 2.12 0.56 -1.64 1.98 5.02 0.22 -4.97 118.16 121.46 2eef n LYS 44 Ca -0.16 -2.04 -0.46 0.00 -2.02 0.00 0.00 58.31 53.63 2eef n LYS 44 Cb 0.51 1.29 -0.04 0.00 -0.02 0.00 0.00 35.03 36.78 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2eef n ASP 45 N -1.90 3.50 -3.56 4.39 9.92 -1.26 -2.35 116.55 125.29 2eef n ASP 45 Ca -0.01 0.75 -0.28 0.00 -0.53 0.00 0.00 54.79 54.73 2eef n ASP 45 Cb 0.36 -1.44 -0.05 0.00 -0.64 0.00 0.00 41.12 39.35 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2eef n LYS 46 N 7.46 -1.05 -3.55 -1.24 4.01 -1.26 -4.81 118.16 117.71 2eef n LYS 46 Ca 0.25 0.09 -0.13 0.00 -0.51 0.00 0.00 58.31 58.01 2eef n LYS 46 Cb 0.35 -3.60 -0.05 0.00 -0.51 0.00 0.00 35.03 31.22 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2eef s ALA 47 N -2.54 -1.86 0.33 7.82 0.00 -0.99 -0.01 121.76 124.51 2eef s ALA 47 Ca 0.54 1.45 0.08 0.00 0.00 0.00 0.00 51.96 54.04 2eef s ALA 47 Cb -0.32 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 2eef s ALA 47 CO 0.67 -0.35 -0.07 0.96 0.00 0.00 0.00 175.76 176.97 2eef s ILE 48 N -1.24 2.00 -0.24 0.00 -4.36 -0.04 0.70 121.20 118.01 2eef s ILE 48 Ca -0.05 -2.15 -0.13 0.00 -0.26 0.00 0.00 60.65 58.05 2eef s ILE 48 Cb -0.00 -2.63 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2eef s ILE 48 CO 0.04 -0.20 0.58 0.00 0.24 0.00 0.00 174.94 175.60 2eef s ALA 49 N -2.76 -1.55 0.05 2.27 0.00 -0.72 -2.99 121.76 116.06 2eef s ALA 49 Ca 0.32 2.07 -0.25 0.00 0.00 0.00 0.00 51.96 54.10 2eef s ALA 49 Cb 0.04 -1.24 0.06 0.00 0.00 0.00 0.00 23.12 21.98 2eef s ALA 49 CO 0.15 -0.35 0.59 0.20 0.00 0.00 0.00 175.76 176.35 2eef s GLY 50 N 1.59 -0.53 -0.15 0.00 0.00 -0.98 0.11 107.32 107.36 2eef s GLY 50 Ca -0.10 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2eef s GLY 50 CO -0.17 0.45 -0.15 -0.51 0.00 0.00 0.00 173.10 172.72 2eef s THR 51 N -2.48 2.73 -0.14 0.90 -4.23 -0.65 -1.14 115.64 110.63 2eef s THR 51 Ca -0.05 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.64 2eef s THR 51 Cb -0.01 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 2eef s THR 51 CO -0.02 0.52 0.10 -0.69 -0.54 0.00 0.00 174.62 173.99 2eef s VAL 52 N 0.68 5.19 -0.02 2.29 1.01 0.24 -1.96 120.40 127.84 2eef s VAL 52 Ca -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2eef s VAL 52 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2eef s VAL 52 CO 0.02 0.56 0.14 -0.75 0.00 0.00 0.00 175.10 175.07 2eef s LYS 53 N -0.57 3.30 0.06 2.72 2.47 -0.75 -1.53 119.74 125.44 2eef s LYS 53 Ca 0.12 -0.36 -0.03 0.00 -1.56 0.00 0.00 55.97 54.14 2eef s LYS 53 Cb -0.12 -3.02 -0.03 0.00 -1.46 0.00 0.00 37.83 33.20 2eef s LYS 53 CO 0.02 0.68 0.02 0.14 0.16 0.00 0.00 175.35 176.37 2eef s VAL 54 N -1.24 0.20 -0.03 4.02 -7.23 -1.24 -2.56 120.40 112.32 2eef s VAL 54 Ca 0.24 -1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 2eef s VAL 54 Cb -0.12 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2eef s VAL 54 CO 0.15 -0.90 0.65 -1.10 -0.31 0.00 0.00 175.10 173.59 2eef s GLN 55 N -3.91 4.39 -1.06 4.82 -0.21 -1.24 -4.34 119.66 118.10 2eef s GLN 55 Ca 0.07 0.81 -0.08 0.00 0.02 0.00 0.00 55.36 56.18 2eef s GLN 55 Cb 0.07 -3.39 -0.14 0.00 1.00 0.00 0.00 33.01 30.55 2eef s GLN 55 CO -0.10 0.22 3.06 0.09 -2.12 0.00 0.00 175.29 176.45 2eef n ASN 56 N 3.22 7.30 0.16 5.90 3.02 -1.26 -4.57 115.26 129.03 2eef n ASN 56 Ca -0.04 -2.51 -0.13 0.00 -0.03 0.00 0.00 54.58 51.87 2eef n ASN 56 Cb 0.51 -1.46 -0.08 0.00 -0.61 0.00 0.00 39.78 38.15 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2eef h LEU 57 N 6.49 -0.38 -9.79 3.41 3.38 -1.95 -3.45 115.31 113.03 2eef h LEU 57 Ca 0.63 -0.17 -0.61 0.00 0.09 0.00 0.00 57.88 57.82 2eef h LEU 57 Cb 0.64 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2eef h LEU 57 CO 1.28 0.02 -0.55 0.00 0.09 0.00 0.00 178.44 179.28 2eef s ALA 58 N -4.61 3.75 0.15 1.53 0.00 -1.26 -5.02 121.76 116.30 2eef s ALA 58 Ca -0.14 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 2eef s ALA 58 Cb 0.02 -1.59 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 2eef s ALA 58 CO 0.50 0.72 1.40 1.97 0.00 0.00 0.00 175.76 180.36 2eef n PHE 59 N 0.20 -0.40 -4.20 0.00 -1.74 -1.26 -4.54 117.46 105.51 2eef n PHE 59 Ca -0.07 1.14 -0.23 0.00 -0.56 0.00 0.00 57.45 57.72 2eef n PHE 59 Cb 0.52 -0.57 -0.07 0.00 1.52 0.00 0.00 39.48 40.88 2eef n PHE 59 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2eef s GLU 60 N -5.46 2.29 0.34 3.97 2.02 -1.26 -5.10 118.70 115.51 2eef s GLU 60 Ca -0.11 -1.57 -0.02 0.00 0.02 0.00 0.00 54.97 53.29 2eef s GLU 60 Cb 0.10 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.22 2eef s GLU 60 CO 0.56 0.17 0.49 0.36 0.02 0.00 0.00 175.26 176.86 2eef n LYS 61 N -1.05 0.70 -3.68 1.61 2.85 -1.26 -4.79 118.16 112.54 2eef n LYS 61 Ca -0.04 -2.71 -0.18 0.00 -1.05 0.00 0.00 58.31 54.33 2eef n LYS 61 Cb 0.61 2.63 -0.17 0.00 -0.65 0.00 0.00 35.03 37.45 2eef n LYS 61 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2eef s THR 62 N -2.78 -0.16 -0.10 0.58 2.01 -0.63 -5.03 115.64 109.52 2eef s THR 62 Ca 0.28 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.68 2eef s THR 62 Cb -0.01 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.30 2eef s THR 62 CO 0.20 0.15 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.41 2eef s VAL 63 N 2.09 1.68 -0.09 3.82 1.01 -1.26 -1.15 120.40 126.49 2eef s VAL 63 Ca 0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2eef s VAL 63 Cb -0.12 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.79 2eef s VAL 63 CO -0.04 0.48 0.25 -0.54 0.00 0.00 0.00 175.10 175.25 2eef s LYS 64 N 0.68 0.32 -0.19 2.72 1.02 -1.19 -2.99 119.74 120.11 2eef s LYS 64 Ca -0.12 0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.09 2eef s LYS 64 Cb -0.16 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 2eef s LYS 64 CO 0.03 -0.04 0.07 0.42 -0.92 0.00 0.00 175.35 174.90 2eef s ILE 65 N 0.02 4.75 -0.31 2.17 -1.09 -0.88 -2.62 121.20 123.24 2eef s ILE 65 Ca -0.01 -0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 2eef s ILE 65 Cb -0.02 -3.16 0.04 0.00 -1.58 0.00 0.00 42.46 37.75 2eef s ILE 65 CO 0.01 0.44 0.03 -0.60 -1.23 0.00 0.00 174.94 173.58 2eef s ARG 66 N 0.59 2.54 -0.05 2.79 3.52 -0.96 -2.19 118.95 125.19 2eef s ARG 66 Ca 0.03 -1.20 0.05 0.00 -0.13 0.00 0.00 55.73 54.49 2eef s ARG 66 Cb -0.13 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 2eef s ARG 66 CO 0.01 -0.61 -0.22 1.41 -0.81 0.00 0.00 175.30 175.08 2eef s MET 67 N 1.31 2.31 0.13 5.12 1.75 -1.25 -1.09 119.30 127.57 2eef s MET 67 Ca -0.04 -0.80 0.08 0.00 -1.25 0.00 0.00 55.69 53.68 2eef s MET 67 Cb -0.19 -1.96 -0.04 0.00 2.84 0.00 0.00 34.83 35.48 2eef s MET 67 CO -0.00 0.33 -0.09 -0.08 -0.65 0.00 0.00 175.02 174.52 2eef s THR 68 N -0.07 3.35 -0.04 10.11 -1.32 0.65 -3.68 115.64 124.63 2eef s THR 68 Ca -0.04 -1.37 0.06 0.00 -1.21 0.00 0.00 61.69 59.13 2eef s THR 68 Cb -0.13 -2.59 0.09 0.00 -1.51 0.00 0.00 72.50 68.36 2eef s THR 68 CO 0.03 0.05 1.01 0.49 -2.21 0.00 0.00 174.62 173.99 2eef n PHE 69 N 0.49 0.00 -3.27 9.09 3.01 -1.25 -2.23 117.46 123.30 2eef n PHE 69 Ca -0.13 -0.60 -0.25 0.00 1.01 0.00 0.00 57.45 57.49 2eef n PHE 69 Cb 0.53 -0.08 -0.07 0.00 -0.01 0.00 0.00 39.48 39.85 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2eef n ASP 70 N -0.74 1.28 -3.60 4.37 9.92 -1.19 -4.59 116.55 122.01 2eef n ASP 70 Ca 0.05 -2.92 -0.23 0.00 -0.53 0.00 0.00 54.79 51.17 2eef n ASP 70 Cb 0.42 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2eef n THR 71 N 1.26 -0.42 -3.25 -3.53 -1.04 -0.33 0.18 114.28 107.15 2eef n THR 71 Ca 0.24 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.05 61.89 2eef n THR 71 Cb 0.49 -0.53 0.08 0.00 -1.82 0.00 0.00 70.33 68.55 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.13 -1.91 -0.00 -1.42 7.02 -1.26 -4.92 117.44 111.82 2eef n TRP 72 Ca -0.11 0.82 -0.01 0.00 -1.02 0.00 0.00 57.50 57.18 2eef n TRP 72 Cb 0.39 -4.69 -0.00 0.00 -2.42 0.00 0.00 31.31 24.59 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -3.73 0.02 -3.70 -0.99 5.02 0.49 -4.96 118.16 110.30 2eef n LYS 73 Ca -0.25 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.75 2eef n LYS 73 Cb 0.65 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.51 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -4.10 3.84 0.31 4.39 0.15 -1.26 -5.03 113.70 112.00 2eef s SER 74 Ca -0.01 -1.96 0.08 0.00 0.70 0.00 0.00 55.95 54.76 2eef s SER 74 Cb 0.00 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.41 2eef s SER 74 CO 0.02 -0.37 0.23 -0.72 1.20 0.00 0.00 173.24 173.60 2eef s TYR 75 N 1.22 2.91 -0.01 3.44 -0.85 -1.26 -3.90 117.35 118.90 2eef s TYR 75 Ca 0.13 -0.26 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 2eef s TYR 75 Cb -0.20 -1.64 0.01 0.00 0.38 0.00 0.00 41.96 40.52 2eef s TYR 75 CO -0.16 0.32 0.03 0.99 -1.52 0.00 0.00 175.55 175.21 2eef s THR 76 N -2.28 -0.02 -0.23 -3.49 2.01 -1.24 -5.03 115.64 105.35 2eef s THR 76 Ca 0.38 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 2eef s THR 76 Cb -0.06 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.39 2eef s THR 76 CO 0.25 0.03 0.97 -0.62 -0.69 0.00 0.00 174.62 174.57 2eef s ASP 77 N 0.41 7.02 -0.20 3.53 2.15 -1.26 -3.93 116.67 124.38 2eef s ASP 77 Ca -0.03 1.27 -0.04 0.00 0.43 0.00 0.00 52.55 54.18 2eef s ASP 77 Cb -0.05 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 2eef s ASP 77 CO -0.01 -0.62 -0.04 -0.36 -0.17 0.00 0.00 175.17 173.97 2eef s PHE 78 N 3.06 2.96 0.21 -5.34 0.08 -0.93 -5.01 117.98 113.01 2eef s PHE 78 Ca 0.41 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 2eef s PHE 78 Cb -0.15 -2.06 -0.09 0.00 -0.57 0.00 0.00 43.02 40.15 2eef s PHE 78 CO 0.07 -0.41 1.30 -1.25 -0.10 0.00 0.00 175.22 174.83 2eef s PRO 79 N 1.18 4.39 0.76 0.24 0.04 -1.26 -2.08 135.00 138.28 2eef s PRO 79 Ca 0.02 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 2eef s PRO 79 Cb -0.14 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.32 2eef s PRO 79 CO -0.01 -0.24 1.07 0.00 0.04 0.00 0.00 177.00 177.86 2eef s GLN 81 N -5.34 2.19 -0.09 0.00 -0.21 0.85 -4.93 119.66 112.14 2eef s GLN 81 Ca 0.65 -2.40 0.00 0.00 0.02 0.00 0.00 55.36 53.63 2eef s GLN 81 Cb -0.07 -1.51 -0.02 0.00 1.00 0.00 0.00 33.01 32.40 2eef s GLN 81 CO 0.46 -0.37 -0.10 -0.47 -2.12 0.00 0.00 175.29 172.70 2eef s TYR 82 N -2.89 2.87 -0.52 0.91 6.14 -1.26 -1.79 117.35 120.81 2eef s TYR 82 Ca 0.06 -0.24 -0.17 0.00 0.64 0.00 0.00 57.07 57.36 2eef s TYR 82 Cb 0.01 -1.77 0.09 0.00 0.42 0.00 0.00 41.96 40.71 2eef s TYR 82 CO 0.03 0.10 0.54 0.08 0.64 0.00 0.00 175.55 176.94 2eef s VAL 83 N -0.30 5.06 -0.60 3.14 1.01 0.19 -4.86 120.40 124.04 2eef s VAL 83 Ca 0.04 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2eef s VAL 83 Cb -0.13 -4.28 0.45 0.00 0.00 0.00 0.00 36.38 32.42 2eef s VAL 83 CO 0.03 -0.80 1.86 2.29 0.00 0.00 0.00 175.10 178.47 2eef n LYS 84 N 5.68 2.89 -1.90 2.72 2.85 -1.26 -4.60 118.16 124.54 2eef n LYS 84 Ca -0.11 -3.48 -0.30 0.00 -1.05 0.00 0.00 58.31 53.37 2eef n LYS 84 Cb 0.43 -2.29 0.05 0.00 -0.65 0.00 0.00 35.03 32.57 2eef n LYS 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2eef s ASP 85 N -2.18 5.46 0.36 -5.58 -1.08 -1.26 -4.90 116.67 107.49 2eef s ASP 85 Ca 0.62 1.12 0.16 0.00 -0.52 0.00 0.00 52.55 53.93 2eef s ASP 85 Cb 0.49 -1.92 1.09 0.00 -1.46 0.00 0.00 42.92 41.11 2eef s ASP 85 CO -0.01 -1.33 1.70 0.74 0.52 0.00 0.00 175.17 176.79 2eef h THR 86 N -0.64 0.39 -0.38 1.71 2.02 -2.04 0.31 112.91 114.27 2eef h THR 86 Ca -0.45 -0.13 -0.25 0.00 0.77 0.00 0.00 66.41 66.35 2eef h THR 86 Cb 1.25 -0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 67.54 2eef h THR 86 CO 0.64 0.07 0.30 -1.22 0.37 0.00 0.00 175.52 175.68 2eef n TYR 87 N -4.86 1.16 -3.50 3.16 4.02 -1.26 -4.73 117.16 111.14 2eef n TYR 87 Ca 0.30 -1.74 0.00 0.00 -0.01 0.00 0.00 57.90 56.45 2eef n TYR 87 Cb 0.96 -0.88 -0.05 0.00 -0.02 0.00 0.00 39.34 39.35 2eef n TYR 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2eef s ALA 88 N -1.34 -2.51 0.00 -0.72 0.00 0.11 -5.04 121.76 112.26 2eef s ALA 88 Ca 0.26 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.35 2eef s ALA 88 Cb 0.19 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.40 2eef s ALA 88 CO -0.01 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2eef n GLY 89 N 4.63 0.99 0.68 0.00 0.00 -1.26 -4.21 105.19 106.01 2eef n GLY 89 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2eef n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eef n SER 90 N 0.00 1.40 -0.23 1.61 3.41 -1.26 -4.83 113.62 113.71 2eef n SER 90 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2eef n SER 90 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2eef n SER 90 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2eef n ASP 91 N -2.67 -0.58 -4.36 4.04 -0.08 -1.26 -4.40 116.55 107.24 2eef n ASP 91 Ca 0.00 1.15 -0.30 0.00 -1.51 0.00 0.00 54.79 54.13 2eef n ASP 91 Cb 0.42 -0.22 -0.14 0.00 2.34 0.00 0.00 41.12 43.52 2eef n ASP 91 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2eef s ARG 92 N -4.77 1.62 -0.32 -0.67 1.81 -1.26 -4.73 118.95 110.62 2eef s ARG 92 Ca -0.07 -1.21 -0.05 0.00 -1.72 0.00 0.00 55.73 52.68 2eef s ARG 92 Cb 0.06 -1.93 0.04 0.00 -0.45 0.00 0.00 34.95 32.66 2eef s ARG 92 CO 0.34 0.48 0.06 0.34 -0.68 0.00 0.00 175.30 175.84 2eef s ASP 93 N -1.60 5.11 -0.40 0.23 -1.08 -1.26 -4.31 116.67 113.36 2eef s ASP 93 Ca 0.13 -1.11 -0.16 0.00 -0.52 0.00 0.00 52.55 50.89 2eef s ASP 93 Cb -0.10 -1.81 0.02 0.00 -1.46 0.00 0.00 42.92 39.56 2eef s ASP 93 CO 0.04 -0.28 0.35 -0.89 0.52 0.00 0.00 175.17 174.91 2eef s THR 94 N 1.37 5.20 -0.05 1.71 2.01 -1.26 -3.68 115.64 120.94 2eef s THR 94 Ca -0.02 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 2eef s THR 94 Cb -0.19 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2eef s THR 94 CO 0.01 -0.31 0.32 -0.36 -0.69 0.00 0.00 174.62 173.59 2eef s PHE 95 N 1.86 3.67 0.35 4.92 0.40 -0.58 -0.64 117.98 127.96 2eef s PHE 95 Ca 0.08 0.82 0.08 0.00 -0.60 0.00 0.00 56.93 57.31 2eef s PHE 95 Cb -0.18 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 2eef s PHE 95 CO 0.11 0.64 0.18 0.45 0.70 0.00 0.00 175.22 177.31 2eef s SER 96 N -0.94 4.79 -0.16 1.36 0.15 -0.74 0.82 113.70 118.98 2eef s SER 96 Ca 0.21 -0.74 -0.18 0.00 0.70 0.00 0.00 55.95 55.93 2eef s SER 96 Cb -0.15 -0.75 0.05 0.00 -1.71 0.00 0.00 66.02 63.46 2eef s SER 96 CO 0.10 -0.34 0.49 0.72 1.20 0.00 0.00 173.24 175.41 2eef s PHE 97 N -2.42 -0.52 -0.31 3.44 -0.12 -0.29 -0.10 117.98 117.66 2eef s PHE 97 Ca 0.39 1.21 -0.02 0.00 -0.05 0.00 0.00 56.93 58.46 2eef s PHE 97 Cb -0.03 0.20 0.10 0.00 -0.63 0.00 0.00 43.02 42.66 2eef s PHE 97 CO 0.24 -0.31 0.11 0.34 -0.05 0.00 0.00 175.22 175.55 2eef s ASP 98 N -0.02 3.83 -0.07 1.98 2.15 -1.26 -2.33 116.67 120.95 2eef s ASP 98 Ca -0.02 -1.55 -0.04 0.00 0.43 0.00 0.00 52.55 51.37 2eef s ASP 98 Cb -0.03 -0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 41.87 2eef s ASP 98 CO 0.02 -0.42 0.11 -0.63 -0.17 0.00 0.00 175.17 174.08 2eef s ILE 99 N 1.75 5.12 0.08 4.11 1.01 -1.16 -4.96 121.20 127.15 2eef s ILE 99 Ca 0.10 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.50 2eef s ILE 99 Cb -0.17 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.96 2eef s ILE 99 CO -0.28 0.50 0.54 -0.94 0.00 0.00 0.00 174.94 174.75 2eef s SER 100 N -1.33 6.96 0.17 3.58 1.04 -1.26 -0.87 113.70 121.99 2eef s SER 100 Ca 0.19 1.17 -0.01 0.00 0.48 0.00 0.00 55.95 57.78 2eef s SER 100 Cb -0.12 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 2eef s SER 100 CO 0.09 0.24 0.35 -0.76 0.98 0.00 0.00 173.24 174.14 2eef s LEU 101 N -1.30 4.26 0.00 2.42 1.43 0.99 -4.90 118.68 121.58 2eef s LEU 101 Ca 0.30 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2eef s LEU 101 Cb -0.18 -3.13 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2eef s LEU 101 CO 0.18 0.01 0.14 -0.81 0.23 0.00 0.00 176.35 176.10 2eef n PRO 102 N -0.44 -1.29 -0.00 1.29 -0.04 -1.26 -4.73 135.00 128.53 2eef n PRO 102 Ca -0.05 -0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.07 2eef n PRO 102 Cb 0.53 -0.21 -0.10 0.00 -0.04 0.00 0.00 33.50 33.69 2eef n PRO 102 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2eef h GLU 103 N 0.00 -0.06 -4.69 0.54 4.11 -1.99 -3.47 114.58 109.02 2eef h GLU 103 Ca -0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.15 2eef h GLU 103 Cb 0.16 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.27 2eef h GLU 103 CO 0.03 0.49 -0.70 0.15 0.07 0.00 0.00 179.01 179.05 2eef s LYS 104 N -3.81 0.85 -0.21 1.06 -0.14 -1.26 -5.08 119.74 111.15 2eef s LYS 104 Ca -0.16 -1.34 -0.15 0.00 -1.36 0.00 0.00 55.97 52.96 2eef s LYS 104 Cb 0.01 -0.25 0.06 0.00 -1.68 0.00 0.00 37.83 35.97 2eef s LYS 104 CO 0.63 -0.01 0.53 0.42 -0.76 0.00 0.00 175.35 176.17 2eef s ILE 105 N -3.58 -0.01 0.19 2.17 1.01 -1.26 -5.17 121.20 114.56 2eef s ILE 105 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.75 2eef s ILE 105 Cb 0.05 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.78 2eef s ILE 105 CO -0.04 0.01 0.35 0.00 0.00 0.00 0.00 174.94 175.26 2eef n GLN 106 N 3.63 0.50 0.00 2.79 10.64 -1.26 -4.89 117.38 128.80 2eef n GLN 106 Ca -0.18 -1.25 0.00 0.00 -1.83 0.00 0.00 57.00 53.74 2eef n GLN 106 Cb 0.57 1.41 0.00 0.00 -0.86 0.00 0.00 30.24 31.36 2eef n GLN 106 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2eef n SER 107 N -1.48 0.00 -4.07 2.61 7.64 -1.26 -4.40 113.62 112.66 2eef n SER 107 Ca -0.03 0.57 -0.37 0.00 1.01 0.00 0.00 58.87 60.06 2eef n SER 107 Cb 0.30 -0.28 0.06 0.00 -1.01 0.00 0.00 64.21 63.28 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eef n TYR 108 N -2.52 -2.65 -3.84 1.43 4.11 -1.26 -2.61 117.16 109.82 2eef n TYR 108 Ca 0.00 0.33 -0.26 0.00 -0.00 0.00 0.00 57.90 57.97 2eef n TYR 108 Cb 0.00 -1.45 -0.03 0.00 -0.00 0.00 0.00 39.34 37.86 2eef n TYR 108 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2eef n GLU 109 N 1.60 -0.72 -0.99 -3.48 0.28 -1.26 -4.72 120.64 111.34 2eef n GLU 109 Ca -0.01 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.16 56.62 2eef n GLU 109 Cb 0.66 -1.82 0.02 0.00 1.43 0.00 0.00 31.44 31.73 2eef n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2eef n ARG 110 N -3.53 0.00 -3.89 3.44 0.63 -1.07 -3.77 116.66 108.47 2eef n ARG 110 Ca -0.14 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.50 2eef n ARG 110 Cb 0.42 -0.86 -0.16 0.00 0.45 0.00 0.00 32.46 32.30 2eef n ARG 110 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 2eef s MET 111 N -1.20 1.44 0.11 -0.14 -2.45 -1.26 -1.19 119.30 114.61 2eef s MET 111 Ca 0.43 -0.66 0.02 0.00 -1.25 0.00 0.00 55.69 54.24 2eef s MET 111 Cb -0.32 -2.21 -0.04 0.00 1.25 0.00 0.00 34.83 33.50 2eef s MET 111 CO 0.63 -0.50 -0.06 -1.21 1.05 0.00 0.00 175.02 174.92 2eef s GLU 112 N 1.58 0.88 0.05 4.11 2.02 -0.95 -3.58 118.70 122.81 2eef s GLU 112 Ca -0.01 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.58 2eef s GLU 112 Cb -0.17 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 2eef s GLU 112 CO -0.07 -0.03 0.01 -0.59 0.02 0.00 0.00 175.26 174.60 2eef s PHE 113 N -3.61 0.39 0.04 1.61 -0.12 -1.26 -0.25 117.98 114.77 2eef s PHE 113 Ca 0.14 -0.85 -0.04 0.00 -0.05 0.00 0.00 56.93 56.13 2eef s PHE 113 Cb 0.05 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 2eef s PHE 113 CO -0.03 -0.36 0.05 0.00 -0.05 0.00 0.00 175.22 174.82 2eef s ALA 114 N -3.33 0.09 -0.02 1.99 0.00 -0.25 -4.03 121.76 116.21 2eef s ALA 114 Ca 0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 2eef s ALA 114 Cb 0.03 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2eef s ALA 114 CO -0.08 -0.30 0.35 0.08 0.00 0.00 0.00 175.76 175.81 2eef s VAL 115 N -2.69 5.13 -0.37 0.00 1.01 -0.47 -2.27 120.40 120.75 2eef s VAL 115 Ca -0.04 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2eef s VAL 115 Cb -0.01 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.84 2eef s VAL 115 CO -0.05 0.58 0.16 -0.47 0.00 0.00 0.00 175.10 175.31 2eef s TYR 116 N -1.08 2.03 -0.37 5.22 5.04 -1.08 -1.16 117.35 125.97 2eef s TYR 116 Ca 0.22 -2.18 -0.15 0.00 -2.44 0.00 0.00 57.07 52.53 2eef s TYR 116 Cb -0.16 -1.91 -0.00 0.00 0.35 0.00 0.00 41.96 40.24 2eef s TYR 116 CO 0.12 -0.84 0.33 -0.47 -1.34 0.00 0.00 175.55 173.34 2eef s TYR 117 N 0.97 3.21 -0.19 4.97 5.04 -0.11 -3.14 117.35 128.10 2eef s TYR 117 Ca 0.13 -0.23 -0.07 0.00 -2.44 0.00 0.00 57.07 54.47 2eef s TYR 117 Cb -0.21 -2.64 -0.04 0.00 0.35 0.00 0.00 41.96 39.43 2eef s TYR 117 CO -0.12 -0.48 0.04 -2.00 -1.34 0.00 0.00 175.55 171.65 2eef s GLU 118 N 1.90 3.86 -0.17 4.97 -6.30 -0.30 -1.08 118.70 121.57 2eef s GLU 118 Ca 0.09 -0.41 -0.31 0.00 -2.50 0.00 0.00 54.97 51.85 2eef s GLU 118 Cb -0.17 -3.16 0.14 0.00 0.00 0.00 0.00 34.13 30.93 2eef s GLU 118 CO 0.11 0.20 1.10 0.00 0.02 0.00 0.00 175.26 176.69 2eef n ASN 120 N 0.34 -1.87 -3.42 0.00 3.02 -1.26 -0.73 115.26 111.34 2eef n ASN 120 Ca -0.05 -0.91 -0.25 0.00 -0.03 0.00 0.00 54.58 53.34 2eef n ASN 120 Cb 0.59 -3.48 0.01 0.00 -0.61 0.00 0.00 39.78 36.29 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.73 -0.50 3.26 7.41 0.00 -1.26 -4.96 105.19 107.42 2eef n GLY 121 Ca -0.18 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -6.09 1.16 -0.41 1.61 -1.52 0.09 -5.12 119.66 109.38 2eef s GLN 122 Ca 0.44 -1.56 0.01 0.00 -1.95 0.00 0.00 55.36 52.31 2eef s GLN 122 Cb -0.22 -0.37 0.14 0.00 -0.22 0.00 0.00 33.01 32.33 2eef s GLN 122 CO 0.55 -0.11 0.23 0.99 -0.25 0.00 0.00 175.29 176.70 2eef s THR 123 N -3.58 1.00 -0.17 -0.19 2.01 -1.26 -2.27 115.64 111.17 2eef s THR 123 Ca 0.24 -2.29 -0.26 0.00 0.31 0.00 0.00 61.69 59.69 2eef s THR 123 Cb 0.06 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2eef s THR 123 CO 0.05 -0.93 0.89 -0.31 -0.69 0.00 0.00 174.62 173.63 2eef s TYR 124 N 0.58 3.41 -0.28 4.92 2.02 -0.24 -4.94 117.35 122.82 2eef s TYR 124 Ca 0.18 1.33 -0.05 0.00 -0.37 0.00 0.00 57.07 58.16 2eef s TYR 124 Cb -0.24 -3.08 0.02 0.00 -0.40 0.00 0.00 41.96 38.27 2eef s TYR 124 CO 0.00 -0.28 0.03 -1.58 -1.57 0.00 0.00 175.55 172.15 2eef s TRP 125 N 2.32 3.13 -0.50 2.71 0.52 -1.26 -0.94 118.94 124.92 2eef s TRP 125 Ca 0.40 -1.27 -0.09 0.00 0.02 0.00 0.00 56.10 55.16 2eef s TRP 125 Cb -0.16 -2.18 0.13 0.00 -1.15 0.00 0.00 33.47 30.11 2eef s TRP 125 CO 0.12 -0.65 0.38 0.34 0.02 0.00 0.00 176.95 177.16 2eef s ASP 126 N 1.42 5.74 -0.66 2.95 2.15 -0.31 -4.97 116.67 122.99 2eef s ASP 126 Ca 0.01 -2.02 -0.09 0.00 0.43 0.00 0.00 52.55 50.88 2eef s ASP 126 Cb -0.17 -2.02 0.17 0.00 -0.30 0.00 0.00 42.92 40.60 2eef s ASP 126 CO -0.00 -0.67 0.54 -0.94 -0.17 0.00 0.00 175.17 173.93 2eef s SER 127 N 2.53 5.93 -1.64 -0.34 1.04 -1.26 -1.36 113.70 118.59 2eef s SER 127 Ca 0.07 -2.56 -0.20 0.00 0.48 0.00 0.00 55.95 53.74 2eef s SER 127 Cb -0.25 -2.03 0.19 0.00 0.10 0.00 0.00 66.02 64.03 2eef s SER 127 CO -0.01 -0.53 0.58 -3.20 0.98 0.00 0.00 173.24 171.06 2eef n ASN 128 N 4.02 -2.18 -3.62 7.02 5.15 -1.26 -0.60 115.26 123.79 2eef n ASN 128 Ca 0.06 -0.99 -0.28 0.00 -0.60 0.00 0.00 54.58 52.77 2eef n ASN 128 Cb 0.42 -1.87 -0.06 0.00 -0.53 0.00 0.00 39.78 37.75 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2eef n ARG 129 N -3.96 -0.82 0.00 1.20 5.12 -1.26 -3.99 116.66 112.94 2eef n ARG 129 Ca 0.09 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2eef n ARG 129 Cb 0.47 -3.14 0.00 0.00 -1.16 0.00 0.00 32.46 28.63 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eef n GLY 130 N -1.05 -2.00 0.33 -0.13 0.00 0.23 -5.05 105.19 97.51 2eef n GLY 130 Ca 0.04 0.76 -0.01 0.00 0.00 0.00 0.00 46.02 46.81 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.06 -3.65 1.61 4.76 -1.22 -4.94 118.16 114.78 2eef n LYS 131 Ca 0.00 0.02 0.01 0.00 -2.87 0.00 0.00 58.31 55.48 2eef n LYS 131 Cb 0.00 -0.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.71 2eef n LYS 131 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2eef s ASN 132 N -4.59 -0.06 -1.19 4.39 0.01 -1.25 -4.67 114.94 107.58 2eef s ASN 132 Ca -0.03 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 51.85 2eef s ASN 132 Cb 0.00 0.18 0.20 0.00 0.41 0.00 0.00 41.25 42.04 2eef s ASN 132 CO 0.05 -0.33 1.43 -1.22 -1.51 0.00 0.00 177.10 175.52 2eef n TYR 133 N -0.52 4.64 -1.59 2.20 4.01 -1.26 -4.70 117.16 119.95 2eef n TYR 133 Ca -0.08 -3.37 -0.43 0.00 -0.16 0.00 0.00 57.90 53.86 2eef n TYR 133 Cb 0.63 -2.00 -0.03 0.00 -0.31 0.00 0.00 39.34 37.62 2eef n TYR 133 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2eef n ARG 134 N 4.52 1.83 -3.19 -0.72 0.63 -1.26 -4.43 116.66 114.03 2eef n ARG 134 Ca 0.34 0.47 -0.43 0.00 -0.92 0.00 0.00 57.85 57.31 2eef n ARG 134 Cb 0.40 -3.21 -0.07 0.00 0.45 0.00 0.00 32.46 30.03 2eef n ARG 134 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2eef s ILE 135 N 8.61 4.93 0.47 5.15 1.01 -1.24 -2.49 121.20 137.64 2eef s ILE 135 Ca 1.01 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.57 2eef s ILE 135 Cb -0.35 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2eef s ILE 135 CO 0.35 -0.57 0.39 0.27 0.00 0.00 0.00 174.94 175.38 2eef s ILE 136 N 2.54 2.21 0.60 2.92 -4.36 -1.02 -4.83 121.20 119.26 2eef s ILE 136 Ca 0.17 -1.42 -0.05 0.00 -0.26 0.00 0.00 60.65 59.10 2eef s ILE 136 Cb -0.16 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.94 2eef s ILE 136 CO 0.16 0.00 0.90 -0.60 0.24 0.00 0.00 174.94 175.63 2eef s ARG 137 N -4.20 2.71 0.07 0.37 3.52 -1.26 -0.31 118.95 119.85 2eef s ARG 137 Ca 0.43 -0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 55.75 2eef s ARG 137 Cb -0.02 -2.29 -0.28 0.00 -1.56 0.00 0.00 34.95 30.79 2eef s ARG 137 CO 0.26 -0.80 1.11 0.00 -0.81 0.00 0.00 175.30 175.06 2eef h ALA 138 N -0.21 0.03 -0.24 6.12 0.00 -1.75 -3.23 119.26 119.99 2eef h ALA 138 Ca -0.45 -0.84 -0.08 0.00 0.00 0.00 0.00 54.91 53.54 2eef h ALA 138 Cb 1.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2eef h ALA 138 CO 0.59 0.83 -0.15 1.05 0.00 0.00 0.00 179.25 181.58 2eef h GLU 139 N 0.14 0.52 -0.34 0.00 4.11 -1.96 -3.21 114.58 113.85 2eef h GLU 139 Ca -0.17 -0.24 0.07 0.00 0.07 0.00 0.00 59.36 59.09 2eef h GLU 139 Cb 1.98 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.15 2eef h GLU 139 CO 0.23 0.80 -0.11 -0.07 0.07 0.00 0.00 179.01 179.93 2eef h LEU 140 N 0.24 -0.39 -8.09 3.06 3.38 -1.97 -3.40 115.31 108.14 2eef h LEU 140 Ca 0.05 0.11 -0.54 0.00 0.09 0.00 0.00 57.88 57.59 2eef h LEU 140 Cb 0.66 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2eef h LEU 140 CO 0.04 -0.14 1.66 1.17 0.09 0.00 0.00 178.44 181.26 2eef n LYS 141 N -5.30 0.17 -3.85 1.13 3.00 -1.22 -4.81 118.16 107.29 2eef n LYS 141 Ca 0.01 0.01 -0.10 0.00 -0.00 0.00 0.00 58.31 58.24 2eef n LYS 141 Cb 0.21 -1.77 0.02 0.00 0.00 0.00 0.00 35.03 33.49 2eef n LYS 141 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2eef s SER 142 N 8.84 0.16 0.23 3.14 0.01 -1.26 -5.04 113.70 119.79 2eef s SER 142 Ca 1.28 -1.22 0.11 0.00 1.31 0.00 0.00 55.95 57.43 2eef s SER 142 Cb -1.15 0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 2eef s SER 142 CO 0.49 -1.65 -0.19 0.28 0.41 0.00 0.00 173.24 172.58 2eef s THR 143 N -2.35 2.60 -0.07 1.44 -1.32 -1.26 -5.14 115.64 109.54 2eef s THR 143 Ca 0.18 -2.13 0.06 0.00 -1.21 0.00 0.00 61.69 58.58 2eef s THR 143 Cb -0.04 -2.31 -0.01 0.00 -1.51 0.00 0.00 72.50 68.62 2eef s THR 143 CO 0.13 -0.25 -0.25 -1.58 -2.21 0.00 0.00 174.62 170.46 2eef s GLN 144 N -3.12 2.68 0.00 7.08 2.00 -1.26 -5.01 119.66 122.03 2eef s GLN 144 Ca 0.26 -0.89 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 2eef s GLN 144 Cb -0.07 -2.20 0.00 0.00 0.80 0.00 0.00 33.01 31.54 2eef s GLN 144 CO 0.13 0.34 0.00 0.41 -0.50 0.00 0.00 175.29 175.67 2eef n GLY 145 N 3.08 -1.08 3.34 2.59 0.00 -1.26 -5.04 105.19 106.83 2eef n GLY 145 Ca -0.18 0.68 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 2eef n GLY 145 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2eef n MET 146 N 0.00 -6.86 -4.26 1.61 2.81 -1.26 -5.00 117.12 104.16 2eef n MET 146 Ca 0.00 0.76 -0.35 0.00 -1.81 0.00 0.00 57.70 56.30 2eef n MET 146 Cb 0.00 -5.58 -0.09 0.00 -0.71 0.00 0.00 33.22 26.84 2eef n MET 146 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2eef s THR 147 N -3.30 4.58 -0.11 2.03 -1.32 -1.26 -5.11 115.64 111.15 2eef s THR 147 Ca 0.35 -0.14 0.02 0.00 -1.21 0.00 0.00 61.69 60.70 2eef s THR 147 Cb -0.15 -2.95 0.01 0.00 -1.51 0.00 0.00 72.50 67.90 2eef s THR 147 CO 0.67 0.60 -0.15 -1.59 -2.21 0.00 0.00 174.62 171.94 2eef s LYS 148 N -0.87 2.22 0.23 7.08 -2.85 -1.26 -5.12 119.74 119.17 2eef s LYS 148 Ca 0.13 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 2eef s LYS 148 Cb -0.12 -1.89 -0.09 0.00 -2.06 0.00 0.00 37.83 33.68 2eef s LYS 148 CO 0.03 -0.06 1.28 -1.25 0.10 0.00 0.00 175.35 175.45 2eef s PRO 149 N 0.97 4.41 -0.02 1.78 0.04 -1.26 -5.04 135.00 135.88 2eef s PRO 149 Ca -0.07 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2eef s PRO 149 Cb -0.15 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2eef s PRO 149 CO -0.01 -0.19 0.05 -1.58 0.04 0.00 0.00 177.00 175.30 2eef s HIS 150 N -0.24 -0.02 -0.41 0.56 2.46 -1.26 -5.09 115.29 111.29 2eef s HIS 150 Ca 0.54 0.16 -0.28 0.00 0.47 0.00 0.00 55.06 55.95 2eef s HIS 150 Cb -0.36 -0.12 -0.08 0.00 -0.13 0.00 0.00 32.58 31.89 2eef s HIS 150 CO 0.41 -0.07 2.35 0.45 -2.47 0.00 0.00 174.74 175.41 2eef n SER 151 N 3.74 2.50 -2.11 9.88 2.88 -1.26 -4.94 113.62 124.32 2eef n SER 151 Ca -0.21 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 2eef n SER 151 Cb 0.54 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2eef n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eef n GLY 152 N 6.02 -0.04 3.71 0.46 0.00 -1.26 -5.07 105.19 109.00 2eef n GLY 152 Ca 0.37 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 2eef n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eef s PRO 153 N 0.09 1.08 0.40 1.61 0.04 -1.26 -5.08 135.00 131.88 2eef s PRO 153 Ca 0.00 0.76 0.04 0.00 0.04 0.00 0.00 61.00 61.84 2eef s PRO 153 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2eef s PRO 153 CO 0.00 -2.35 0.13 -0.51 0.04 0.00 0.00 177.00 174.32 2eef s ASP 154 N -3.43 2.71 -0.18 6.66 1.11 -1.26 -5.09 116.67 117.19 2eef s ASP 154 Ca 0.64 -1.67 -0.19 0.00 0.18 0.00 0.00 52.55 51.52 2eef s ASP 154 Cb -0.18 0.49 -0.15 0.00 1.07 0.00 0.00 42.92 44.14 2eef s ASP 154 CO 0.57 -0.93 0.18 0.25 1.18 0.00 0.00 175.17 176.43 2eef h LEU 155 N 1.82 0.00 -0.81 1.23 5.85 -2.08 -3.58 115.31 117.74 2eef h LEU 155 Ca -0.35 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 57.94 2eef h LEU 155 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2eef h LEU 155 CO 0.56 1.21 0.00 0.61 -0.34 0.00 0.00 178.44 180.48