#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m s GLU 2 N 0.00 1.55 0.93 0.54 8.01 -1.26 -5.15 118.70 123.32 2k1m s GLU 2 Ca 0.00 -1.71 -0.12 0.00 0.01 0.00 0.00 54.97 53.15 2k1m s GLU 2 Cb 0.00 -1.49 0.15 0.00 -4.31 0.00 0.00 34.13 28.48 2k1m s GLU 2 CO 0.00 0.25 1.09 -1.25 0.01 0.00 0.00 175.26 175.36 2k1m s PRO 3 N -3.58 1.00 0.13 0.39 0.04 -1.26 -4.97 135.00 126.75 2k1m s PRO 3 Ca 0.27 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 2k1m s PRO 3 Cb -0.03 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2k1m s PRO 3 CO 0.12 -2.40 1.56 0.78 0.04 0.00 0.00 177.00 177.10 2k1m h GLY 4 N -1.66 0.85 -6.51 0.56 0.00 -2.09 -3.43 103.07 90.80 2k1m h GLY 4 Ca -0.51 -0.66 -0.42 0.00 0.00 0.00 0.00 47.33 45.74 2k1m h GLY 4 CO 0.55 0.60 -0.77 0.54 0.00 0.00 0.00 176.54 177.47 2k1m s LYS 5 N -4.90 0.75 0.82 4.80 3.01 -1.26 -5.14 119.74 117.81 2k1m s LYS 5 Ca -0.13 -0.03 -0.13 0.00 -1.01 0.00 0.00 55.97 54.67 2k1m s LYS 5 Cb 0.11 -0.88 0.08 0.00 -1.01 0.00 0.00 37.83 36.12 2k1m s LYS 5 CO 0.81 -0.16 1.11 0.36 0.51 0.00 0.00 175.35 177.98 2k1m n LYS 6 N 4.44 0.12 -2.25 1.68 2.85 -1.26 -4.94 118.16 118.79 2k1m n LYS 6 Ca -0.19 0.12 -0.41 0.00 -1.05 0.00 0.00 58.31 56.78 2k1m n LYS 6 Cb 0.50 -2.36 -0.03 0.00 -0.65 0.00 0.00 35.03 32.49 2k1m n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k1m s PRO 7 N -4.03 4.46 -0.49 -1.58 0.04 -1.26 -4.89 135.00 127.26 2k1m s PRO 7 Ca 0.72 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 63.51 2k1m s PRO 7 Cb -0.29 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.02 2k1m s PRO 7 CO 0.53 -0.04 2.35 0.28 0.04 0.00 0.00 177.00 180.16 2k1m n VAL 8 N 1.03 0.09 -4.00 -0.36 0.31 -1.26 -4.92 118.33 109.22 2k1m n VAL 8 Ca -0.00 -0.41 -0.25 0.00 -0.01 0.00 0.00 64.34 63.66 2k1m n VAL 8 Cb 0.43 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 2k1m n VAL 8 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k1m n SER 9 N 12.13 2.75 -1.86 4.52 2.88 -1.26 -5.03 113.62 127.75 2k1m n SER 9 Ca 0.43 -2.82 0.06 0.00 -1.33 0.00 0.00 58.87 55.20 2k1m n SER 9 Cb 0.32 0.02 0.39 0.00 -0.75 0.00 0.00 64.21 64.20 2k1m n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1m n ALA 10 N -1.86 3.94 -3.58 -1.46 0.00 -1.26 -4.65 120.51 111.64 2k1m n ALA 10 Ca -0.17 -2.00 -0.29 0.00 0.00 0.00 0.00 53.44 50.98 2k1m n ALA 10 Cb 0.59 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 2k1m n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k1m s PHE 11 N -2.81 1.34 0.21 0.00 0.40 -1.26 -1.42 117.98 114.44 2k1m s PHE 11 Ca 0.54 -2.04 -0.10 0.00 -0.60 0.00 0.00 56.93 54.73 2k1m s PHE 11 Cb 0.42 -1.38 0.29 0.00 0.51 0.00 0.00 43.02 42.86 2k1m s PHE 11 CO 0.15 -0.80 1.70 1.03 0.70 0.00 0.00 175.22 178.00 2k1m h SER 12 N 6.80 -0.04 -3.49 1.36 0.87 -1.33 -3.37 113.55 114.35 2k1m h SER 12 Ca 0.04 0.12 -0.58 0.00 -1.23 0.00 0.00 61.79 60.13 2k1m h SER 12 Cb 0.94 0.17 -0.39 0.00 -0.44 0.00 0.00 62.40 62.69 2k1m h SER 12 CO 0.37 -0.01 -0.77 -0.75 -0.53 0.00 0.00 176.83 175.14 2k1m s LYS 13 N -6.12 1.25 0.22 2.24 2.47 -0.46 -4.96 119.74 114.38 2k1m s LYS 13 Ca -0.13 -0.86 -0.30 0.00 -1.56 0.00 0.00 55.97 53.12 2k1m s LYS 13 Cb 0.18 -2.42 -0.09 0.00 -1.46 0.00 0.00 37.83 34.05 2k1m s LYS 13 CO 0.74 -0.66 1.20 0.21 0.16 0.00 0.00 175.35 177.00 2k1m s LYS 14 N 1.54 4.50 -0.76 4.03 2.20 -1.26 -0.02 119.74 129.97 2k1m s LYS 14 Ca -0.02 1.91 -0.26 0.00 -0.36 0.00 0.00 55.97 57.24 2k1m s LYS 14 Cb -0.18 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 2k1m s LYS 14 CO -0.08 -0.05 1.91 -1.25 -0.36 0.00 0.00 175.35 175.52 2k1m s PRO 15 N -0.65 2.59 0.86 4.03 0.04 -1.24 -4.86 135.00 135.77 2k1m s PRO 15 Ca 0.51 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 2k1m s PRO 15 Cb -0.34 -4.73 0.12 0.00 0.04 0.00 0.00 34.50 29.59 2k1m s PRO 15 CO 0.39 -3.06 1.18 1.03 0.04 0.00 0.00 177.00 176.58 2k1m s ARG 16 N 7.03 1.31 0.58 4.56 0.52 -1.26 -4.63 118.95 127.06 2k1m s ARG 16 Ca 0.69 1.66 -0.15 0.00 -0.52 0.00 0.00 55.73 57.41 2k1m s ARG 16 Cb -0.10 -1.75 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 2k1m s ARG 16 CO 0.10 -2.44 1.03 -1.54 0.02 0.00 0.00 175.30 172.47 2k1m s SER 17 N -2.40 6.06 0.05 0.23 1.04 -1.26 -4.85 113.70 112.57 2k1m s SER 17 Ca 0.70 1.69 -0.06 0.00 0.48 0.00 0.00 55.95 58.76 2k1m s SER 17 Cb -0.26 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.33 2k1m s SER 17 CO 0.54 -0.97 0.11 0.68 0.98 0.00 0.00 173.24 174.57 2k1m s VAL 18 N -2.61 0.14 -0.12 5.02 -7.23 -1.24 -5.03 120.40 109.34 2k1m s VAL 18 Ca 0.61 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2k1m s VAL 18 Cb -0.13 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2k1m s VAL 18 CO 0.38 -0.65 -0.16 -1.83 -0.31 0.00 0.00 175.10 172.53 2k1m s GLU 19 N -2.97 3.24 -0.00 4.82 1.03 -1.26 -2.61 118.70 120.95 2k1m s GLU 19 Ca -0.02 -0.73 0.01 0.00 0.03 0.00 0.00 54.97 54.26 2k1m s GLU 19 Cb 0.01 -2.53 -0.00 0.00 -0.80 0.00 0.00 34.13 30.80 2k1m s GLU 19 CO -0.06 0.24 -0.04 0.14 -1.33 0.00 0.00 175.26 174.21 2k1m s VAL 20 N 0.26 0.28 0.80 1.83 -7.23 -0.88 -4.92 120.40 110.54 2k1m s VAL 20 Ca -0.11 -0.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.80 2k1m s VAL 20 Cb -0.16 -0.24 0.07 0.00 0.56 0.00 0.00 36.38 36.61 2k1m s VAL 20 CO 0.06 0.07 1.09 0.00 -0.31 0.00 0.00 175.10 176.01 2k1m s ALA 21 N -0.09 2.11 -0.30 1.32 0.00 -1.26 -1.32 121.76 122.23 2k1m s ALA 21 Ca 0.01 0.13 -0.38 0.00 0.00 0.00 0.00 51.96 51.72 2k1m s ALA 21 Cb -0.01 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 2k1m s ALA 21 CO -0.00 -1.86 1.92 0.00 0.00 0.00 0.00 175.76 175.82 2k1m n ALA 22 N -3.57 0.35 0.00 0.00 0.00 -0.89 -0.08 120.51 116.32 2k1m n ALA 22 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k1m n ALA 22 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2k1m n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 23 N 5.16 2.61 3.61 0.00 0.00 -0.63 -5.00 105.19 110.93 2k1m n GLY 23 Ca 0.32 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2k1m n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 24 N 0.89 1.68 -4.74 1.61 2.88 0.89 -4.69 113.62 112.12 2k1m n SER 24 Ca 0.00 1.17 -0.41 0.00 -1.33 0.00 0.00 58.87 58.30 2k1m n SER 24 Cb 0.00 -1.31 -0.03 0.00 -0.75 0.00 0.00 64.21 62.12 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k1m s PRO 25 N -1.16 4.41 -0.07 -1.46 0.04 -1.26 -4.65 135.00 130.84 2k1m s PRO 25 Ca 0.63 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.72 2k1m s PRO 25 Cb -0.71 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 30.67 2k1m s PRO 25 CO 0.57 -0.20 -0.07 0.00 0.04 0.00 0.00 177.00 177.34 2k1m s ALA 26 N -0.14 1.03 0.02 8.56 0.00 -0.42 -4.96 121.76 125.85 2k1m s ALA 26 Ca 0.55 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2k1m s ALA 26 Cb -0.36 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 2k1m s ALA 26 CO 0.40 -0.16 -0.24 0.54 0.00 0.00 0.00 175.76 176.30 2k1m s VAL 27 N 1.22 1.94 -0.14 0.00 0.11 -1.26 -0.38 120.40 121.88 2k1m s VAL 27 Ca -0.05 -1.21 0.02 0.00 -2.93 0.00 0.00 61.98 57.81 2k1m s VAL 27 Cb -0.14 -1.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2k1m s VAL 27 CO -0.02 0.39 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.57 2k1m s PHE 28 N -0.71 2.56 -0.31 1.54 0.40 -0.45 -4.95 117.98 116.06 2k1m s PHE 28 Ca 0.10 -1.32 -0.17 0.00 -0.60 0.00 0.00 56.93 54.94 2k1m s PHE 28 Cb -0.09 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 2k1m s PHE 28 CO 0.01 -0.62 0.45 -1.21 0.70 0.00 0.00 175.22 174.55 2k1m s GLU 29 N 0.93 3.80 -0.14 0.44 2.02 -1.26 -1.33 118.70 123.16 2k1m s GLU 29 Ca -0.05 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 54.88 2k1m s GLU 29 Cb -0.15 -3.74 0.03 0.00 0.10 0.00 0.00 34.13 30.37 2k1m s GLU 29 CO -0.04 -0.48 -0.09 0.00 0.02 0.00 0.00 175.26 174.68 2k1m s ALA 30 N 2.24 1.55 -0.12 5.21 0.00 0.30 -3.60 121.76 127.33 2k1m s ALA 30 Ca 0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2k1m s ALA 30 Cb -0.16 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 2k1m s ALA 30 CO 0.11 -0.52 0.03 -2.00 0.00 0.00 0.00 175.76 173.38 2k1m s GLU 31 N 1.61 3.33 0.19 0.00 2.12 0.97 -0.01 118.70 126.91 2k1m s GLU 31 Ca 0.04 -0.37 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 2k1m s GLU 31 Cb -0.13 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 2k1m s GLU 31 CO -0.09 0.57 0.37 0.95 -0.54 0.00 0.00 175.26 176.53 2k1m s THR 32 N -0.50 5.22 -2.22 -1.70 -4.23 -0.23 -1.30 115.64 110.69 2k1m s THR 32 Ca 0.09 -0.42 0.23 0.00 -1.18 0.00 0.00 61.69 60.41 2k1m s THR 32 Cb -0.12 -3.74 0.54 0.00 1.34 0.00 0.00 72.50 70.52 2k1m s THR 32 CO 0.02 -0.16 1.70 1.21 -0.54 0.00 0.00 174.62 176.85 2k1m n GLU 33 N -0.65 1.45 -4.91 3.99 0.00 -0.51 -4.00 120.64 116.02 2k1m n GLU 33 Ca -0.05 -0.67 -0.28 0.00 0.00 0.00 0.00 57.16 56.16 2k1m n GLU 33 Cb 0.54 -1.39 -0.16 0.00 0.00 0.00 0.00 31.44 30.42 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2k1m s ARG 34 N -1.91 2.09 0.30 5.31 3.00 -1.26 -4.94 118.95 121.55 2k1m s ARG 34 Ca 0.34 -0.65 -0.25 0.00 -1.00 0.00 0.00 55.73 54.17 2k1m s ARG 34 Cb 0.17 -1.73 -0.10 0.00 0.00 0.00 0.00 34.95 33.30 2k1m s ARG 34 CO 0.27 0.20 0.90 0.00 0.00 0.00 0.00 175.30 176.67 2k1m s ALA 35 N 0.20 3.25 -1.28 6.12 0.00 -1.26 -3.56 121.76 125.23 2k1m s ALA 35 Ca -0.09 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2k1m s ALA 35 Cb -0.14 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2k1m s ALA 35 CO 0.04 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2k1m n GLY 36 N 0.61 1.28 3.87 0.00 0.00 -1.26 -4.99 105.19 104.71 2k1m n GLY 36 Ca 0.01 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 2k1m n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1m s VAL 37 N -2.36 4.79 -0.28 1.61 0.11 -1.23 -5.06 120.40 117.98 2k1m s VAL 37 Ca 0.00 0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 59.58 2k1m s VAL 37 Cb 0.00 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2k1m s VAL 37 CO 0.00 -0.40 0.19 -0.54 -3.33 0.00 0.00 175.10 171.02 2k1m s LYS 38 N -3.56 3.94 -0.34 1.54 1.02 -1.26 -5.03 119.74 116.05 2k1m s LYS 38 Ca 0.51 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 56.07 2k1m s LYS 38 Cb -0.10 -3.65 0.01 0.00 -0.52 0.00 0.00 37.83 33.57 2k1m s LYS 38 CO 0.27 -0.18 0.18 0.08 -0.92 0.00 0.00 175.35 174.79 2k1m s VAL 39 N 1.75 4.60 -0.07 3.17 1.01 -1.26 -3.58 120.40 126.02 2k1m s VAL 39 Ca 0.07 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 2k1m s VAL 39 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2k1m s VAL 39 CO 0.11 -0.09 0.37 0.00 0.00 0.00 0.00 175.10 175.49 2k1m s ARG 40 N 1.59 4.04 0.13 2.72 1.04 0.83 -4.97 118.95 124.33 2k1m s ARG 40 Ca 0.03 0.30 0.05 0.00 -1.04 0.00 0.00 55.73 55.08 2k1m s ARG 40 Cb -0.18 -3.31 -0.04 0.00 -2.04 0.00 0.00 34.95 29.38 2k1m s ARG 40 CO 0.07 0.50 0.05 -1.58 -0.04 0.00 0.00 175.30 174.29 2k1m s TRP 41 N -0.40 3.01 -0.11 5.89 0.52 -1.26 -0.91 118.94 125.68 2k1m s TRP 41 Ca 0.22 -0.05 -0.15 0.00 0.02 0.00 0.00 56.10 56.14 2k1m s TRP 41 Cb -0.15 -1.49 0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2k1m s TRP 41 CO 0.10 0.51 0.39 -0.65 0.02 0.00 0.00 176.95 177.31 2k1m s GLN 42 N -2.72 0.55 -0.43 4.98 -0.21 0.12 -0.06 119.66 121.89 2k1m s GLN 42 Ca 0.28 0.35 0.03 0.00 0.02 0.00 0.00 55.36 56.04 2k1m s GLN 42 Cb -0.11 0.26 0.12 0.00 1.00 0.00 0.00 33.01 34.28 2k1m s GLN 42 CO 0.20 -0.10 0.16 1.03 -2.12 0.00 0.00 175.29 174.46 2k1m s ARG 43 N -0.26 1.76 -1.23 2.91 1.81 0.64 -1.05 118.95 123.54 2k1m s ARG 43 Ca -0.04 -2.18 -0.10 0.00 -1.72 0.00 0.00 55.73 51.69 2k1m s ARG 43 Cb -0.03 -3.31 -0.01 0.00 -0.45 0.00 0.00 34.95 31.15 2k1m s ARG 43 CO 0.02 -1.02 0.71 0.41 -0.68 0.00 0.00 175.30 174.73 2k1m n GLY 44 N 3.82 -0.66 1.11 -3.53 0.00 -1.26 -2.39 105.19 102.28 2k1m n GLY 44 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2k1m n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1m n GLY 45 N -1.67 2.51 3.58 -0.02 0.00 -1.26 -4.98 105.19 103.36 2k1m n GLY 45 Ca -0.19 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2k1m n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1m s SER 46 N 0.00 5.45 0.26 1.61 0.15 -1.00 -4.92 113.70 115.24 2k1m s SER 46 Ca 0.00 1.28 -0.31 0.00 0.70 0.00 0.00 55.95 57.62 2k1m s SER 46 Cb 0.00 -2.52 -0.12 0.00 -1.71 0.00 0.00 66.02 61.67 2k1m s SER 46 CO 0.00 -2.07 1.63 -0.90 1.20 0.00 0.00 173.24 173.10 2k1m n ASP 47 N 11.94 3.86 -4.88 5.45 5.75 -1.26 -0.26 116.55 137.15 2k1m n ASP 47 Ca 0.27 1.12 -0.32 0.00 -0.01 0.00 0.00 54.79 55.84 2k1m n ASP 47 Cb 0.48 -1.58 -0.05 0.00 -1.03 0.00 0.00 41.12 38.94 2k1m n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2k1m s ILE 48 N 0.36 5.07 0.14 2.12 1.01 0.92 -4.82 121.20 125.99 2k1m s ILE 48 Ca 0.68 0.25 -0.21 0.00 0.00 0.00 0.00 60.65 61.36 2k1m s ILE 48 Cb -0.51 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.40 2k1m s ILE 48 CO 0.44 0.04 0.54 -0.55 0.00 0.00 0.00 174.94 175.40 2k1m s SER 49 N -2.31 -0.46 -0.78 3.58 0.15 -1.26 -4.23 113.70 108.39 2k1m s SER 49 Ca 0.42 -0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 2k1m s SER 49 Cb -0.12 0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 64.65 2k1m s SER 49 CO 0.22 -0.91 2.24 0.00 1.20 0.00 0.00 173.24 176.00 2k1m s ALA 50 N -3.63 1.17 0.31 5.45 0.00 -1.26 -4.49 121.76 119.32 2k1m s ALA 50 Ca 0.01 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 2k1m s ALA 50 Cb -0.00 -4.53 0.04 0.00 0.00 0.00 0.00 23.12 18.63 2k1m s ALA 50 CO -0.11 -5.31 0.60 -1.13 0.00 0.00 0.00 175.76 169.80 2k1m n SER 51 N 16.64 -1.75 -4.54 0.00 3.41 -1.26 -4.91 113.62 121.21 2k1m n SER 51 Ca 0.42 -2.31 -0.41 0.00 -0.26 0.00 0.00 58.87 56.31 2k1m n SER 51 Cb 0.46 2.95 0.02 0.00 -0.26 0.00 0.00 64.21 67.37 2k1m n SER 51 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k1m n ASN 52 N -1.46 0.28 0.00 4.04 2.85 -1.26 -0.77 115.26 118.94 2k1m n ASN 52 Ca -0.06 0.95 0.00 0.00 -0.11 0.00 0.00 54.58 55.36 2k1m n ASN 52 Cb 0.48 -1.26 0.00 0.00 1.24 0.00 0.00 39.78 40.24 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2k1m n LYS 53 N 0.17 -0.01 -3.77 1.20 4.81 -1.26 -4.92 118.16 114.38 2k1m n LYS 53 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 2k1m n LYS 53 Cb 0.41 -3.12 -0.01 0.00 0.02 0.00 0.00 35.03 32.33 2k1m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1m n TYR 54 N -2.01 -1.71 -3.28 5.64 4.01 0.05 -4.23 117.16 115.62 2k1m n TYR 54 Ca 0.00 -2.07 0.03 0.00 -0.16 0.00 0.00 57.90 55.70 2k1m n TYR 54 Cb 0.00 0.64 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 2k1m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1m s GLY 55 N -3.02 -0.17 -0.13 2.72 0.00 -0.76 -4.14 107.32 101.81 2k1m s GLY 55 Ca 0.23 3.05 -0.04 0.00 0.00 0.00 0.00 44.72 47.97 2k1m s GLY 55 CO 0.17 3.43 0.01 1.08 0.00 0.00 0.00 173.10 177.79 2k1m s LEU 56 N 2.53 3.57 -0.27 0.66 1.43 -1.26 -0.04 118.68 125.30 2k1m s LEU 56 Ca -0.01 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2k1m s LEU 56 Cb -0.06 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.39 2k1m s LEU 56 CO -0.15 0.27 0.05 0.00 0.23 0.00 0.00 176.35 176.75 2k1m s ALA 57 N -0.23 1.61 -0.08 4.21 0.00 -0.16 -4.90 121.76 122.21 2k1m s ALA 57 Ca 0.06 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 2k1m s ALA 57 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2k1m s ALA 57 CO 0.02 -1.48 0.13 -0.08 0.00 0.00 0.00 175.76 174.35 2k1m s THR 58 N 1.57 5.28 -0.41 0.00 -1.32 -1.26 -1.06 115.64 118.43 2k1m s THR 58 Ca 0.05 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 2k1m s THR 58 Cb -0.18 -3.34 0.17 0.00 -1.51 0.00 0.00 72.50 67.64 2k1m s THR 58 CO -0.17 0.52 0.45 -1.61 -2.21 0.00 0.00 174.62 171.60 2k1m s GLU 59 N -1.30 0.79 7.88 7.08 2.02 -0.49 -5.02 118.70 129.66 2k1m s GLU 59 Ca 0.18 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.01 2k1m s GLU 59 Cb -0.12 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.39 2k1m s GLU 59 CO 0.08 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.51 2k1m n GLY 60 N 3.68 2.50 1.36 -1.39 0.00 -1.26 -2.89 105.19 107.20 2k1m n GLY 60 Ca 0.17 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.89 2k1m n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k1m n THR 61 N 0.00 1.57 -4.70 2.61 -1.04 -1.26 -4.46 114.28 106.99 2k1m n THR 61 Ca 0.00 -0.94 -0.28 0.00 -2.04 0.00 0.00 64.05 60.78 2k1m n THR 61 Cb 0.00 -0.04 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 2k1m n THR 61 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2k1m s ARG 62 N -1.90 1.57 -0.09 -2.82 3.00 -1.14 -1.07 118.95 116.51 2k1m s ARG 62 Ca 0.40 -1.11 -0.02 0.00 0.00 0.00 0.00 55.73 55.00 2k1m s ARG 62 Cb 0.27 -1.80 0.04 0.00 0.00 0.00 0.00 34.95 33.46 2k1m s ARG 62 CO 0.18 0.45 0.04 -1.01 0.00 0.00 0.00 175.30 174.96 2k1m s HIS 63 N -0.87 0.41 -0.22 -0.53 3.76 0.98 -1.39 115.29 117.42 2k1m s HIS 63 Ca 0.11 -0.09 -0.05 0.00 -0.15 0.00 0.00 55.06 54.88 2k1m s HIS 63 Cb -0.10 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 2k1m s HIS 63 CO 0.03 -0.33 -0.02 0.99 -0.85 0.00 0.00 174.74 174.56 2k1m s THR 64 N 2.06 3.59 -0.37 1.30 2.01 -0.22 -0.54 115.64 123.46 2k1m s THR 64 Ca 0.04 -0.42 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 2k1m s THR 64 Cb -0.13 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.74 2k1m s THR 64 CO -0.05 0.41 0.26 -0.22 -0.69 0.00 0.00 174.62 174.32 2k1m s LEU 65 N 1.47 4.79 -0.14 4.42 2.96 -0.44 -0.99 118.68 130.76 2k1m s LEU 65 Ca 0.06 -0.71 -0.13 0.00 -0.22 0.00 0.00 54.13 53.13 2k1m s LEU 65 Cb -0.14 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 2k1m s LEU 65 CO -0.02 -0.35 0.27 -0.89 -1.32 0.00 0.00 176.35 174.05 2k1m s THR 66 N 1.68 5.31 -0.20 3.68 2.01 0.94 -1.34 115.64 127.72 2k1m s THR 66 Ca 0.05 0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 2k1m s THR 66 Cb -0.18 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 68.80 2k1m s THR 66 CO 0.10 0.45 0.09 -0.69 -0.69 0.00 0.00 174.62 173.88 2k1m s VAL 67 N 0.04 0.05 -0.13 3.82 1.01 0.49 -1.83 120.40 123.84 2k1m s VAL 67 Ca 0.16 -0.40 0.18 0.00 0.00 0.00 0.00 61.98 61.93 2k1m s VAL 67 Cb -0.13 -0.77 -0.18 0.00 0.00 0.00 0.00 36.38 35.30 2k1m s VAL 67 CO 0.05 -0.38 0.65 0.54 0.00 0.00 0.00 175.10 175.96 2k1m n ARG 68 N 5.22 0.64 0.00 2.72 1.74 -1.26 -1.30 116.66 124.42 2k1m n ARG 68 Ca -0.07 0.11 0.07 0.00 -0.77 0.00 0.00 57.85 57.18 2k1m n ARG 68 Cb 0.47 -1.71 0.30 0.00 -1.02 0.00 0.00 32.46 30.50 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k1m n GLU 69 N -2.74 0.01 -1.57 5.56 0.00 -1.26 -4.52 120.64 116.12 2k1m n GLU 69 Ca -0.12 0.25 -0.44 0.00 0.00 0.00 0.00 57.16 56.85 2k1m n GLU 69 Cb 0.83 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.76 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2k1m n VAL 70 N -1.48 2.05 -3.00 6.31 3.14 -1.25 -4.78 118.33 119.31 2k1m n VAL 70 Ca 0.04 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 2k1m n VAL 70 Cb 0.16 -0.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.02 2k1m n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1m n GLY 71 N 1.32 1.44 0.13 7.55 0.00 -1.26 -1.61 105.19 112.76 2k1m n GLY 71 Ca 0.10 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.47 2k1m n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k1m n PRO 72 N 0.00 0.19 0.01 1.61 -0.04 -1.26 -2.05 135.00 133.46 2k1m n PRO 72 Ca 0.00 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 2k1m n PRO 72 Cb 0.00 -1.86 0.19 0.00 -0.04 0.00 0.00 33.50 31.79 2k1m n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1m n ALA 73 N -1.77 3.53 0.63 0.55 0.00 -1.26 -3.81 120.51 118.38 2k1m n ALA 73 Ca 0.02 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.17 2k1m n ALA 73 Cb 0.22 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.60 2k1m n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k1m n ASP 74 N -1.64 1.62 -4.45 0.00 9.92 -0.87 -4.97 116.55 116.15 2k1m n ASP 74 Ca 0.05 -1.31 -0.49 0.00 -0.53 0.00 0.00 54.79 52.51 2k1m n ASP 74 Cb 0.36 0.39 -0.07 0.00 -0.64 0.00 0.00 41.12 41.16 2k1m n ASP 74 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k1m n GLN 75 N 0.00 0.96 0.00 -1.24 10.64 -1.08 -4.60 117.38 122.07 2k1m n GLN 75 Ca 0.06 0.23 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 2k1m n GLN 75 Cb 0.31 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.23 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k1m n GLY 76 N 6.51 0.81 3.37 2.61 0.00 -1.23 -5.09 105.19 112.16 2k1m n GLY 76 Ca 0.43 0.41 -0.19 0.00 0.00 0.00 0.00 46.02 46.67 2k1m n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 77 N 2.00 2.00 -0.05 1.61 1.04 -1.26 -2.98 113.70 116.06 2k1m s SER 77 Ca 0.00 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.18 2k1m s SER 77 Cb 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2k1m s SER 77 CO 0.00 -0.55 -0.11 -0.31 0.98 0.00 0.00 173.24 173.25 2k1m s TYR 78 N -3.38 1.32 -0.06 5.02 1.51 0.11 -4.15 117.35 117.71 2k1m s TYR 78 Ca 0.32 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2k1m s TYR 78 Cb 0.07 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2k1m s TYR 78 CO 0.11 -0.21 -0.18 0.00 -1.11 0.00 0.00 175.55 174.16 2k1m s ALA 79 N 0.50 2.47 -0.14 3.71 0.00 -0.21 -0.55 121.76 127.54 2k1m s ALA 79 Ca -0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 2k1m s ALA 79 Cb -0.14 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.16 2k1m s ALA 79 CO 0.02 0.46 0.30 0.54 0.00 0.00 0.00 175.76 177.09 2k1m s VAL 80 N -0.38 -0.27 0.09 0.00 0.11 0.01 0.12 120.40 120.07 2k1m s VAL 80 Ca 0.03 0.20 0.09 0.00 -2.93 0.00 0.00 61.98 59.38 2k1m s VAL 80 Cb -0.12 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2k1m s VAL 80 CO 0.02 0.08 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.00 2k1m s ILE 81 N 1.94 2.41 -0.54 7.04 1.09 -0.09 -1.31 121.20 131.74 2k1m s ILE 81 Ca -0.04 -1.51 0.05 0.00 -1.10 0.00 0.00 60.65 58.05 2k1m s ILE 81 Cb -0.11 -2.03 0.19 0.00 -1.06 0.00 0.00 42.46 39.45 2k1m s ILE 81 CO -0.10 0.21 0.48 0.00 -0.10 0.00 0.00 174.94 175.44 2k1m n ALA 82 N 1.25 3.17 0.00 9.38 0.00 -0.48 -0.12 120.51 133.71 2k1m n ALA 82 Ca -0.17 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.39 2k1m n ALA 82 Cb 0.52 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2k1m n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 83 N 2.02 2.26 0.67 0.00 0.00 -1.23 -3.76 105.19 105.14 2k1m n GLY 83 Ca 0.25 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2k1m n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 84 N 5.11 0.78 -4.74 1.61 2.88 -1.26 -5.01 113.62 112.99 2k1m n SER 84 Ca 0.00 0.13 -0.41 0.00 -1.33 0.00 0.00 58.87 57.26 2k1m n SER 84 Cb 0.00 -0.32 -0.02 0.00 -0.75 0.00 0.00 64.21 63.11 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k1m s SER 85 N -5.98 6.69 -0.12 -3.46 0.15 -1.25 -5.01 113.70 104.72 2k1m s SER 85 Ca -0.15 2.61 0.01 0.00 0.70 0.00 0.00 55.95 59.13 2k1m s SER 85 Cb 0.06 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2k1m s SER 85 CO 0.19 -0.69 -0.16 -0.75 1.20 0.00 0.00 173.24 173.04 2k1m s LYS 86 N -0.14 2.34 0.04 5.44 2.20 -1.26 -1.38 119.74 126.97 2k1m s LYS 86 Ca 0.60 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.64 2k1m s LYS 86 Cb -0.41 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.88 2k1m s LYS 86 CO 0.41 -0.10 -0.10 0.54 -0.36 0.00 0.00 175.35 175.75 2k1m s VAL 87 N 1.08 0.73 0.01 4.02 0.11 -0.42 -5.01 120.40 120.91 2k1m s VAL 87 Ca -0.04 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 2k1m s VAL 87 Cb -0.14 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 2k1m s VAL 87 CO -0.04 -0.20 -0.03 -1.59 -3.33 0.00 0.00 175.10 169.92 2k1m s LYS 88 N -1.28 0.26 0.39 1.54 0.00 -1.26 -0.81 119.74 118.57 2k1m s LYS 88 Ca -0.04 -0.30 0.06 0.00 0.00 0.00 0.00 55.97 55.68 2k1m s LYS 88 Cb -0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 37.83 37.55 2k1m s LYS 88 CO 0.01 0.03 0.03 -0.59 0.00 0.00 0.00 175.35 174.82 2k1m s PHE 89 N -0.56 2.28 0.11 1.78 -0.71 0.28 -4.96 117.98 116.21 2k1m s PHE 89 Ca -0.04 -0.80 -0.02 0.00 -1.04 0.00 0.00 56.93 55.02 2k1m s PHE 89 Cb -0.04 -1.59 -0.05 0.00 -1.21 0.00 0.00 43.02 40.13 2k1m s PHE 89 CO -0.00 0.27 0.30 -0.51 -1.34 0.00 0.00 175.22 173.94 2k1m s ASP 90 N -3.64 6.43 -0.29 1.98 1.01 -1.26 0.05 116.67 120.94 2k1m s ASP 90 Ca 0.34 0.44 0.02 0.00 0.71 0.00 0.00 52.55 54.06 2k1m s ASP 90 Cb 0.09 -2.03 0.08 0.00 1.01 0.00 0.00 42.92 42.07 2k1m s ASP 90 CO 0.16 0.10 0.02 -0.22 0.21 0.00 0.00 175.17 175.44 2k1m s LEU 91 N -2.62 3.44 0.21 1.23 2.96 -1.16 -3.68 118.68 119.06 2k1m s LEU 91 Ca 0.38 -1.69 -0.14 0.00 -0.22 0.00 0.00 54.13 52.47 2k1m s LEU 91 Cb -0.12 -1.32 -0.07 0.00 0.50 0.00 0.00 46.19 45.17 2k1m s LEU 91 CO 0.26 -0.33 0.60 -0.54 -1.32 0.00 0.00 176.35 175.02 2k1m s LYS 92 N 1.22 3.96 -0.03 1.98 3.01 -1.07 -3.57 119.74 125.23 2k1m s LYS 92 Ca 0.04 0.50 0.07 0.00 -1.01 0.00 0.00 55.97 55.57 2k1m s LYS 92 Cb -0.19 -2.76 -0.02 0.00 -1.01 0.00 0.00 37.83 33.85 2k1m s LYS 92 CO -0.11 0.37 -0.25 0.08 0.51 0.00 0.00 175.35 175.95 2k1m s VAL 93 N -1.66 2.03 -0.03 3.17 1.01 -1.26 -2.07 120.40 121.59 2k1m s VAL 93 Ca 0.44 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2k1m s VAL 93 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2k1m s VAL 93 CO 0.20 0.57 0.16 -0.63 0.00 0.00 0.00 175.10 175.40 2k1m s ILE 94 N -0.42 5.34 0.00 2.22 1.01 -0.43 -4.89 121.20 124.02 2k1m s ILE 94 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2k1m s ILE 94 Cb -0.11 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2k1m s ILE 94 CO 0.01 0.37 0.43 1.21 0.00 0.00 0.00 174.94 176.96